#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrp n VAL 3 N 0.00 1.61 0.00 2.46 0.31 -1.26 -2.00 118.33 119.45 1jrp n VAL 3 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1jrp n VAL 3 Cb 0.00 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1jrp n VAL 3 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jrp n GLY 4 N 1.23 2.98 3.87 2.92 0.00 -0.94 -5.05 105.19 110.20 1jrp n GLY 4 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1jrp n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrp s LYS 5 N -0.78 3.80 -1.38 1.61 1.02 -0.85 -4.59 119.74 118.57 1jrp s LYS 5 Ca 0.00 0.26 -0.09 0.00 0.02 0.00 0.00 55.97 56.16 1jrp s LYS 5 Cb 0.00 -2.69 -0.10 0.00 -0.52 0.00 0.00 37.83 34.52 1jrp s LYS 5 CO 0.00 0.34 3.02 -0.35 -0.92 0.00 0.00 175.35 177.45 1jrp n PRO 6 N -0.03 3.52 -2.46 -1.68 -0.04 -1.26 -4.41 135.00 128.64 1jrp n PRO 6 Ca -0.00 -2.12 -0.32 0.00 -0.04 0.00 0.00 63.50 61.02 1jrp n PRO 6 Cb 0.52 -2.68 -0.04 0.00 -0.04 0.00 0.00 33.50 31.27 1jrp n PRO 6 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jrp s LEU 7 N -0.01 3.69 0.89 1.53 1.43 -1.26 -4.71 118.68 120.24 1jrp s LEU 7 Ca 0.69 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 1jrp s LEU 7 Cb 0.20 -4.52 0.13 0.00 0.03 0.00 0.00 46.19 42.03 1jrp s LEU 7 CO -0.06 -0.59 1.10 -2.16 0.23 0.00 0.00 176.35 174.87 1jrp s PRO 8 N -3.86 1.27 0.48 1.29 0.04 -1.26 -4.67 135.00 128.28 1jrp s PRO 8 Ca 0.60 1.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.46 1jrp s PRO 8 Cb -0.10 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 1jrp s PRO 8 CO 0.28 -2.30 1.31 1.58 0.04 0.00 0.00 177.00 177.90 1jrp n HIS 9 N -3.96 2.21 0.04 0.56 -0.00 -1.26 -4.88 115.22 107.93 1jrp n HIS 9 Ca 0.08 0.46 0.22 0.00 -0.00 0.00 0.00 57.72 58.48 1jrp n HIS 9 Cb 0.54 -2.37 0.73 0.00 -0.00 0.00 0.00 29.99 28.89 1jrp n HIS 9 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1jrp h ASP 10 N 1.81 0.00 -0.06 0.26 2.03 -1.92 -2.01 116.42 116.53 1jrp h ASP 10 Ca -0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.79 1jrp h ASP 10 Cb 1.30 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 1jrp h ASP 10 CO 0.59 0.00 -0.23 -1.20 -1.03 0.00 0.00 179.24 177.36 1jrp n SER 11 N -3.86 2.18 0.03 4.15 7.64 -1.26 -4.82 113.62 117.68 1jrp n SER 11 Ca 0.10 -3.53 -0.12 0.00 1.01 0.00 0.00 58.87 56.32 1jrp n SER 11 Cb 0.68 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 1jrp n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jrp h ALA 12 N 0.69 -0.84 -0.60 -0.43 0.00 -1.72 0.46 119.26 116.80 1jrp h ALA 12 Ca 0.03 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1jrp h ALA 12 Cb 1.11 0.88 -0.12 0.00 0.00 0.00 0.00 17.79 19.66 1jrp h ALA 12 CO 0.06 -0.98 -0.33 -0.09 0.00 0.00 0.00 179.25 177.91 1jrp h ARG 13 N -0.52 -0.15 -0.01 0.00 2.43 -1.88 0.31 114.38 114.56 1jrp h ARG 13 Ca 0.01 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1jrp h ARG 13 Cb 0.56 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1jrp h ARG 13 CO -0.30 -0.10 -0.18 0.00 -1.51 0.00 0.00 179.97 177.88 1jrp h ALA 14 N 1.02 1.68 0.72 2.80 0.00 -1.71 -1.32 119.26 122.45 1jrp h ALA 14 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1jrp h ALA 14 Cb 0.55 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jrp h ALA 14 CO -0.69 0.24 -0.34 0.45 0.00 0.00 0.00 179.25 178.91 1jrp h HIS 15 N 0.02 -0.89 0.00 0.00 3.86 0.32 -1.77 115.15 116.69 1jrp h HIS 15 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1jrp h HIS 15 Cb 0.33 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1jrp h HIS 15 CO 0.00 -0.53 0.00 1.55 0.86 0.00 0.00 177.93 179.81 1jrp n VAL 16 N -5.43 1.10 -0.11 2.45 3.14 0.75 0.05 118.33 120.28 1jrp n VAL 16 Ca -0.13 0.66 0.04 0.00 -2.96 0.00 0.00 64.34 61.95 1jrp n VAL 16 Cb 0.39 -1.65 0.10 0.00 -1.06 0.00 0.00 33.84 31.62 1jrp n VAL 16 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1jrp n THR 17 N -2.18 0.98 -1.09 1.55 -2.24 -0.69 -5.01 114.28 105.60 1jrp n THR 17 Ca -0.01 -0.99 -0.03 0.00 -2.27 0.00 0.00 64.05 60.75 1jrp n THR 17 Cb 0.05 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1jrp n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrp n GLY 18 N 0.16 0.57 0.09 3.38 0.00 0.11 -4.85 105.19 104.65 1jrp n GLY 18 Ca 0.07 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1jrp n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jrp n GLN 19 N -1.86 0.50 -1.88 1.61 6.02 -0.89 -4.88 117.38 116.01 1jrp n GLN 19 Ca -0.03 0.09 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 1jrp n GLN 19 Cb 0.24 -1.76 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 1jrp n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jrp s ALA 20 N -3.31 3.68 -0.12 -1.58 0.00 -0.73 -4.95 121.76 114.75 1jrp s ALA 20 Ca 0.01 1.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.44 1jrp s ALA 20 Cb 0.11 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1jrp s ALA 20 CO 0.78 -0.89 -0.11 1.03 0.00 0.00 0.00 175.76 176.57 1jrp s ARG 21 N -0.66 3.34 0.52 0.00 0.52 -1.26 -4.98 118.95 116.43 1jrp s ARG 21 Ca 0.60 -0.64 0.07 0.00 -0.52 0.00 0.00 55.73 55.24 1jrp s ARG 21 Cb -0.45 -2.67 0.03 0.00 0.52 0.00 0.00 34.95 32.38 1jrp s ARG 21 CO 0.48 0.28 0.48 0.71 0.02 0.00 0.00 175.30 177.27 1jrp s TYR 22 N 0.19 1.85 0.23 -0.53 1.51 -1.26 -4.83 117.35 114.52 1jrp s TYR 22 Ca -0.06 -0.73 -0.07 0.00 -1.01 0.00 0.00 57.07 55.20 1jrp s TYR 22 Cb -0.15 -2.04 0.41 0.00 -0.11 0.00 0.00 41.96 40.07 1jrp s TYR 22 CO 0.04 -0.53 1.68 1.25 -1.11 0.00 0.00 175.55 176.88 1jrp h LEU 23 N 0.70 -0.06 -0.00 -1.29 5.85 -1.93 0.86 115.31 119.44 1jrp h LEU 23 Ca -0.36 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1jrp h LEU 23 Cb 1.29 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1jrp h LEU 23 CO 0.54 -0.05 0.00 -0.67 -0.34 0.00 0.00 178.44 177.91 1jrp n ASP 24 N -5.18 0.00 0.16 1.25 4.64 -1.26 -2.38 116.55 113.78 1jrp n ASP 24 Ca 0.12 0.50 0.05 0.00 -1.38 0.00 0.00 54.79 54.08 1jrp n ASP 24 Cb 0.42 -0.50 0.11 0.00 -1.04 0.00 0.00 41.12 40.11 1jrp n ASP 24 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 1jrp h ASP 25 N 0.00 0.00 -3.97 1.67 3.32 0.39 -3.47 116.42 114.37 1jrp h ASP 25 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1jrp h ASP 25 Cb 0.31 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.97 1jrp h ASP 25 CO 0.00 0.39 0.67 -0.76 -1.72 0.00 0.00 179.24 177.82 1jrp s LEU 26 N -6.48 4.16 0.59 1.55 1.43 -1.00 -4.95 118.68 113.99 1jrp s LEU 26 Ca 0.04 2.82 -0.18 0.00 -1.03 0.00 0.00 54.13 55.78 1jrp s LEU 26 Cb 0.08 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 1jrp s LEU 26 CO 0.72 -1.03 1.13 -2.84 0.23 0.00 0.00 176.35 174.56 1jrp s PRO 27 N -2.35 3.09 -0.04 1.29 0.02 -1.26 -5.03 135.00 130.73 1jrp s PRO 27 Ca 0.59 1.56 -0.29 0.00 0.02 0.00 0.00 61.00 62.88 1jrp s PRO 27 Cb -0.42 -1.97 0.09 0.00 0.02 0.00 0.00 34.50 32.22 1jrp s PRO 27 CO 0.54 -1.05 0.79 0.00 -0.33 0.00 0.00 177.00 176.95 1jrp n PRO 29 N 0.44 -0.02 0.26 0.00 -0.02 -1.26 -4.80 135.00 129.61 1jrp n PRO 29 Ca -0.14 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.48 1jrp n PRO 29 Cb 0.59 -1.54 0.71 0.00 -0.02 0.00 0.00 33.50 33.24 1jrp n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jrp h ALA 30 N -0.93 1.35 -0.25 3.55 0.00 -2.02 -2.56 119.26 118.40 1jrp h ALA 30 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1jrp h ALA 30 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1jrp h ALA 30 CO 0.34 0.15 0.00 0.27 0.00 0.00 0.00 179.25 180.01 1jrp n ASN 31 N -3.74 1.69 -4.57 0.00 6.94 -1.26 -4.92 115.26 109.41 1jrp n ASN 31 Ca -0.02 -1.85 -0.41 0.00 -0.02 0.00 0.00 54.58 52.28 1jrp n ASN 31 Cb 0.23 -0.16 0.01 0.00 -2.36 0.00 0.00 39.78 37.50 1jrp n ASN 31 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1jrp n THR 32 N 0.38 2.32 -4.13 5.53 -1.04 -0.97 -4.69 114.28 111.68 1jrp n THR 32 Ca 0.14 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.42 1jrp n THR 32 Cb 0.30 -0.97 -0.06 0.00 -1.82 0.00 0.00 70.33 67.78 1jrp n THR 32 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1jrp s LEU 33 N 0.06 3.26 0.16 -4.42 1.43 -0.58 -4.88 118.68 113.71 1jrp s LEU 33 Ca 0.64 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1jrp s LEU 33 Cb -0.57 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1jrp s LEU 33 CO 0.57 -0.25 -0.15 -1.00 0.23 0.00 0.00 176.35 175.75 1jrp s HIS 34 N -2.40 1.62 0.14 0.29 3.76 -0.59 -1.21 115.29 116.90 1jrp s HIS 34 Ca 0.37 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 1jrp s HIS 34 Cb -0.03 -0.80 -0.04 0.00 1.11 0.00 0.00 32.58 32.81 1jrp s HIS 34 CO 0.22 0.26 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.76 1jrp s LEU 35 N -2.81 2.51 -0.15 0.89 1.43 -1.05 -0.67 118.68 118.82 1jrp s LEU 35 Ca 0.15 -0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 51.99 1jrp s LEU 35 Cb -0.03 -0.38 0.09 0.00 0.03 0.00 0.00 46.19 45.89 1jrp s LEU 35 CO 0.05 -0.30 0.79 0.00 0.23 0.00 0.00 176.35 177.12 1jrp s ALA 36 N -3.13 -1.83 0.35 4.21 0.00 -0.58 -4.53 121.76 116.26 1jrp s ALA 36 Ca 0.15 1.62 -0.16 0.00 0.00 0.00 0.00 51.96 53.57 1jrp s ALA 36 Cb 0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.43 1jrp s ALA 36 CO 0.01 -0.34 0.79 -0.06 0.00 0.00 0.00 175.76 176.17 1jrp s PHE 37 N -0.60 3.36 -0.19 0.00 2.99 -1.26 -1.62 117.98 120.67 1jrp s PHE 37 Ca -0.05 1.31 -0.08 0.00 0.00 0.00 0.00 56.93 58.11 1jrp s PHE 37 Cb -0.02 -2.61 -0.04 0.00 0.00 0.00 0.00 43.02 40.35 1jrp s PHE 37 CO 0.04 0.03 0.08 0.20 -0.00 0.00 0.00 175.22 175.57 1jrp s GLY 38 N -2.28 1.93 0.17 4.36 0.00 0.43 -4.86 107.32 107.06 1jrp s GLY 38 Ca 0.56 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.60 1jrp s GLY 38 CO 0.17 0.10 -0.01 1.08 0.00 0.00 0.00 173.10 174.44 1jrp s LEU 39 N 0.43 3.29 0.52 0.66 1.43 -1.26 -0.46 118.68 123.29 1jrp s LEU 39 Ca 0.04 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 1jrp s LEU 39 Cb -0.12 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1jrp s LEU 39 CO 0.00 0.09 1.25 -0.24 0.23 0.00 0.00 176.35 177.68 1jrp n SER 40 N -0.08 2.25 -1.18 2.29 2.88 0.28 -4.85 113.62 115.22 1jrp n SER 40 Ca -0.10 0.99 0.08 0.00 -1.33 0.00 0.00 58.87 58.51 1jrp n SER 40 Cb 0.55 -1.51 0.28 0.00 -0.75 0.00 0.00 64.21 62.78 1jrp n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1jrp n THR 41 N -0.91 1.66 -4.49 2.46 -2.24 -1.26 -2.73 114.28 106.77 1jrp n THR 41 Ca 0.10 -1.28 -0.27 0.00 -2.27 0.00 0.00 64.05 60.33 1jrp n THR 41 Cb 0.43 0.17 -0.13 0.00 -2.10 0.00 0.00 70.33 68.70 1jrp n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jrp s GLU 42 N -1.77 1.37 0.43 -0.78 0.41 -1.26 -4.92 118.70 112.18 1jrp s GLU 42 Ca 0.42 -1.17 0.23 0.00 -0.41 0.00 0.00 54.97 54.04 1jrp s GLU 42 Cb 0.27 -1.67 0.81 0.00 -1.78 0.00 0.00 34.13 31.76 1jrp s GLU 42 CO 0.20 0.41 1.78 0.00 -0.49 0.00 0.00 175.26 177.15 1jrp h ALA 43 N 4.29 0.98 -0.41 5.21 0.00 -1.83 -3.21 119.26 124.28 1jrp h ALA 43 Ca -0.47 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.43 1jrp h ALA 43 Cb 1.17 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1jrp h ALA 43 CO 0.41 0.29 0.02 0.45 0.00 0.00 0.00 179.25 180.42 1jrp s SER 44 N -6.20 -0.61 -0.00 0.00 0.15 -1.26 -2.57 113.70 103.20 1jrp s SER 44 Ca 0.01 0.27 -0.28 0.00 0.70 0.00 0.00 55.95 56.65 1jrp s SER 44 Cb 0.10 1.47 0.10 0.00 -1.71 0.00 0.00 66.02 65.97 1jrp s SER 44 CO 0.65 -0.11 0.86 0.00 1.20 0.00 0.00 173.24 175.83 1jrp s ALA 45 N 2.94 -1.80 0.24 5.45 0.00 -1.15 -1.15 121.76 126.28 1jrp s ALA 45 Ca 0.09 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.96 1jrp s ALA 45 Cb -0.08 0.36 -0.07 0.00 0.00 0.00 0.00 23.12 23.32 1jrp s ALA 45 CO -0.16 -0.65 0.58 0.00 0.00 0.00 0.00 175.76 175.52 1jrp s ALA 46 N -2.95 3.53 -0.11 0.00 0.00 -1.05 -1.05 121.76 120.13 1jrp s ALA 46 Ca 0.03 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 1jrp s ALA 46 Cb -0.01 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 1jrp s ALA 46 CO -0.08 0.48 0.25 0.42 0.00 0.00 0.00 175.76 176.83 1jrp s ILE 47 N -1.84 5.32 -0.02 0.00 1.01 0.45 -1.36 121.20 124.76 1jrp s ILE 47 Ca 0.48 0.46 0.02 0.00 0.00 0.00 0.00 60.65 61.62 1jrp s ILE 47 Cb -0.11 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1jrp s ILE 47 CO 0.21 0.53 0.03 0.41 0.00 0.00 0.00 174.94 176.12 1jrp n THR 48 N 2.49 0.09 -3.71 2.92 -1.04 0.26 -4.81 114.28 110.48 1jrp n THR 48 Ca -0.16 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 1jrp n THR 48 Cb 0.53 -0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 68.62 1jrp n THR 48 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1jrp s GLY 49 N -2.87 -0.24 -0.44 3.41 0.00 -0.99 -4.92 107.32 101.27 1jrp s GLY 49 Ca -0.01 0.54 0.06 0.00 0.00 0.00 0.00 44.72 45.32 1jrp s GLY 49 CO 0.10 0.31 0.61 -0.10 0.00 0.00 0.00 173.10 174.02 1jrp n LEU 50 N 1.25 -1.42 -4.66 0.66 7.94 -1.26 0.47 117.00 119.97 1jrp n LEU 50 Ca -0.21 -3.95 -0.43 0.00 -1.11 0.00 0.00 56.01 50.31 1jrp n LEU 50 Cb 0.56 0.69 -0.02 0.00 0.53 0.00 0.00 43.42 45.18 1jrp n LEU 50 CO 0.22 1.98 0.93 -0.62 -1.11 0.00 0.00 177.39 178.79 1jrp s ASP 51 N -0.67 7.09 -0.00 1.96 2.15 -0.47 -4.91 116.67 121.82 1jrp s ASP 51 Ca 0.33 1.43 0.12 0.00 0.43 0.00 0.00 52.55 54.86 1jrp s ASP 51 Cb 0.13 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.55 1jrp s ASP 51 CO -0.16 -0.67 1.29 0.18 -0.17 0.00 0.00 175.17 175.65 1jrp n LEU 52 N 6.26 3.06 -0.28 -1.34 4.77 -1.26 -2.15 117.00 126.06 1jrp n LEU 52 Ca 0.12 -2.00 -0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1jrp n LEU 52 Cb 0.46 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1jrp n LEU 52 CO 0.52 0.76 1.16 -0.08 -1.33 0.00 0.00 177.39 178.43 1jrp h GLU 53 N 2.31 0.85 0.00 3.23 4.57 -1.93 0.49 114.58 124.10 1jrp h GLU 53 Ca 0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1jrp h GLU 53 Cb 0.77 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1jrp h GLU 53 CO 0.00 0.56 -0.04 -1.35 -1.18 0.00 0.00 179.01 177.00 1jrp h PRO 54 N 0.87 0.00 0.01 0.92 0.11 -1.84 -0.29 132.00 131.78 1jrp h PRO 54 Ca 0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.46 1jrp h PRO 54 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1jrp h PRO 54 CO -0.18 0.04 -0.00 0.28 -0.21 0.00 0.00 178.00 177.93 1jrp h VAL 55 N 0.00 1.57 -1.00 3.15 2.07 -0.31 -2.73 116.25 119.00 1jrp h VAL 55 Ca -0.00 -2.09 0.14 0.00 0.82 0.00 0.00 66.70 65.57 1jrp h VAL 55 Cb 0.11 2.92 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 1jrp h VAL 55 CO 0.01 0.52 0.62 0.03 0.02 0.00 0.00 177.57 178.76 1jrp h ARG 56 N -0.96 0.88 0.00 1.57 3.08 -0.86 0.81 114.38 118.90 1jrp h ARG 56 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jrp h ARG 56 Cb 0.85 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1jrp h ARG 56 CO 0.00 0.58 0.00 0.39 -1.07 0.00 0.00 179.97 179.87 1jrp n GLU 57 N -4.68 0.24 -2.70 0.04 1.02 -0.16 -4.70 120.64 109.71 1jrp n GLU 57 Ca 0.20 0.12 -0.35 0.00 -0.02 0.00 0.00 57.16 57.12 1jrp n GLU 57 Cb 0.43 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 1jrp n GLU 57 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jrp s SER 58 N -2.57 6.89 0.43 1.62 0.15 0.27 -4.95 113.70 115.55 1jrp s SER 58 Ca 0.16 1.84 -0.23 0.00 0.70 0.00 0.00 55.95 58.42 1jrp s SER 58 Cb 0.11 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.76 1jrp s SER 58 CO 0.26 -0.40 0.90 -2.65 1.20 0.00 0.00 173.24 172.56 1jrp n PRO 59 N -0.29 1.14 -1.42 5.44 -0.02 -1.26 -1.92 135.00 136.67 1jrp n PRO 59 Ca 0.06 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.80 1jrp n PRO 59 Cb 0.52 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1jrp n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jrp n GLY 60 N 1.33 1.44 3.80 -1.23 0.00 -1.26 -4.84 105.19 104.43 1jrp n GLY 60 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1jrp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jrp s VAL 61 N -2.26 4.61 -0.10 1.61 1.01 -0.81 0.15 120.40 124.61 1jrp s VAL 61 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.37 1jrp s VAL 61 Cb 0.00 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1jrp s VAL 61 CO 0.00 0.50 -0.05 -0.38 0.00 0.00 0.00 175.10 175.17 1jrp n ILE 62 N 1.55 0.63 -3.84 2.22 2.08 0.19 -4.90 119.36 117.28 1jrp n ILE 62 Ca -0.08 -0.29 -0.09 0.00 0.56 0.00 0.00 62.75 62.84 1jrp n ILE 62 Cb 0.50 -0.85 -0.07 0.00 -0.75 0.00 0.00 39.64 38.47 1jrp n ILE 62 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jrp s ALA 63 N -2.22 -0.31 0.03 -1.39 0.00 -0.88 -5.01 121.76 111.97 1jrp s ALA 63 Ca -0.11 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1jrp s ALA 63 Cb 0.03 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1jrp s ALA 63 CO 0.30 -0.58 -0.10 0.08 0.00 0.00 0.00 175.76 175.46 1jrp s VAL 64 N -3.88 0.78 0.20 0.00 1.01 -1.26 -1.54 120.40 115.70 1jrp s VAL 64 Ca 0.08 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1jrp s VAL 64 Cb 0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1jrp s VAL 64 CO -0.08 -0.07 -0.15 -0.36 0.00 0.00 0.00 175.10 174.44 1jrp s PHE 65 N -0.80 1.72 0.10 5.22 0.40 0.51 -4.92 117.98 120.21 1jrp s PHE 65 Ca -0.01 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.64 1jrp s PHE 65 Cb -0.07 -0.81 0.02 0.00 0.51 0.00 0.00 43.02 42.66 1jrp s PHE 65 CO 0.01 0.35 0.29 0.99 0.70 0.00 0.00 175.22 177.55 1jrp s THR 66 N -2.78 0.11 0.49 0.64 2.01 -1.26 -1.91 115.64 112.93 1jrp s THR 66 Ca 0.21 -0.90 0.25 0.00 0.31 0.00 0.00 61.69 61.56 1jrp s THR 66 Cb -0.02 -1.25 0.43 0.00 0.01 0.00 0.00 72.50 71.67 1jrp s THR 66 CO 0.07 -0.50 1.88 0.00 -0.69 0.00 0.00 174.62 175.38 1jrp h ALA 67 N 2.58 2.55 0.00 7.40 0.00 -1.80 1.11 119.26 131.11 1jrp h ALA 67 Ca -0.34 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1jrp h ALA 67 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1jrp h ALA 67 CO 0.52 -0.81 -0.31 0.00 0.00 0.00 0.00 179.25 178.65 1jrp h ALA 68 N 1.59 1.16 -0.00 0.00 0.00 -1.95 -1.83 119.26 118.24 1jrp h ALA 68 Ca 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jrp h ALA 68 Cb 1.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1jrp h ALA 68 CO -0.08 0.38 -0.04 -0.25 0.00 0.00 0.00 179.25 179.26 1jrp n ASP 69 N -3.69 0.10 -4.67 0.00 8.00 0.38 -4.74 116.55 111.94 1jrp n ASP 69 Ca -0.01 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.00 1jrp n ASP 69 Cb 0.42 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 1jrp n ASP 69 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jrp s LEU 70 N -2.68 4.29 0.53 0.64 1.43 -0.69 -4.88 118.68 117.31 1jrp s LEU 70 Ca 0.24 2.08 0.35 0.00 -1.03 0.00 0.00 54.13 55.77 1jrp s LEU 70 Cb 0.20 -3.54 1.64 0.00 0.03 0.00 0.00 46.19 44.52 1jrp s LEU 70 CO 0.49 -0.85 2.04 1.55 0.23 0.00 0.00 176.35 179.82 1jrp h PRO 71 N 8.88 0.00 0.00 1.29 0.13 -1.85 -3.47 132.00 136.98 1jrp h PRO 71 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1jrp h PRO 71 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jrp h PRO 71 CO 0.95 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.44 1jrp n HIS 72 N -2.89 0.00 -0.92 1.56 8.25 -1.25 -4.98 115.22 114.99 1jrp n HIS 72 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 1jrp n HIS 72 Cb 0.19 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.42 1jrp n HIS 72 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1jrp n ASP 73 N 0.00 -1.09 -3.33 0.41 9.92 -1.19 -4.95 116.55 116.32 1jrp n ASP 73 Ca 0.00 0.43 -0.24 0.00 -0.53 0.00 0.00 54.79 54.45 1jrp n ASP 73 Cb 0.00 -1.29 -0.09 0.00 -0.64 0.00 0.00 41.12 39.10 1jrp n ASP 73 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1jrp s ASN 74 N -2.00 1.19 -0.30 -2.24 2.47 -1.26 -4.64 114.94 108.16 1jrp s ASN 74 Ca 0.63 -2.83 -0.13 0.00 0.42 0.00 0.00 52.86 50.94 1jrp s ASN 74 Cb -0.25 -0.16 0.14 0.00 -1.45 0.00 0.00 41.25 39.53 1jrp s ASN 74 CO 0.62 -0.17 0.83 -0.62 -3.72 0.00 0.00 177.10 174.04 1jrp s ASP 75 N 0.25 -0.83 -0.05 -4.21 2.15 -1.26 -4.02 116.67 108.70 1jrp s ASP 75 Ca 0.31 1.15 0.09 0.00 0.43 0.00 0.00 52.55 54.53 1jrp s ASP 75 Cb 0.01 1.88 0.19 0.00 -0.30 0.00 0.00 42.92 44.70 1jrp s ASP 75 CO -0.17 -0.16 1.14 0.00 -0.17 0.00 0.00 175.17 175.81 1jrp n ALA 76 N 5.04 2.21 -1.76 3.66 0.00 -0.14 -4.88 120.51 124.65 1jrp n ALA 76 Ca -0.12 -1.56 -0.40 0.00 0.00 0.00 0.00 53.44 51.36 1jrp n ALA 76 Cb 0.52 -0.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 1jrp n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jrp s SER 77 N -1.55 7.24 0.00 0.00 0.15 -1.26 -4.82 113.70 113.46 1jrp s SER 77 Ca 0.17 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.07 1jrp s SER 77 Cb 0.13 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1jrp s SER 77 CO 0.05 -0.16 0.71 -0.81 1.20 0.00 0.00 173.24 174.23 1jrp n PRO 78 N 1.10 0.92 -4.15 5.44 -0.04 -1.26 -4.86 135.00 132.15 1jrp n PRO 78 Ca -0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 1jrp n PRO 78 Cb 0.45 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 1jrp n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jrp s ALA 79 N -1.54 0.88 0.31 0.55 0.00 -1.26 -4.95 121.76 115.74 1jrp s ALA 79 Ca 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1jrp s ALA 79 Cb 0.00 0.43 0.84 0.00 0.00 0.00 0.00 23.12 24.39 1jrp s ALA 79 CO 0.00 -0.35 1.64 -1.35 0.00 0.00 0.00 175.76 175.70 1jrp h PRO 80 N 2.95 0.19 -6.68 0.00 0.11 -1.96 -3.38 132.00 123.24 1jrp h PRO 80 Ca -0.35 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.25 1jrp h PRO 80 Cb 1.17 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1jrp h PRO 80 CO 0.63 0.13 0.32 -1.54 -0.21 0.00 0.00 178.00 177.33 1jrp s SER 81 N -5.00 7.58 0.70 -2.05 1.04 -1.26 -5.01 113.70 109.70 1jrp s SER 81 Ca -0.11 1.87 -0.11 0.00 0.48 0.00 0.00 55.95 58.07 1jrp s SER 81 Cb 0.28 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.82 1jrp s SER 81 CO 0.78 0.13 1.08 -2.84 0.98 0.00 0.00 173.24 173.36 1jrp s PRO 82 N -0.97 2.92 -0.20 4.02 0.02 -1.26 -4.74 135.00 134.79 1jrp s PRO 82 Ca 0.41 0.62 -0.04 0.00 0.02 0.00 0.00 61.00 62.01 1jrp s PRO 82 Cb -0.25 -2.01 0.10 0.00 0.02 0.00 0.00 34.50 32.36 1jrp s PRO 82 CO 0.31 -1.03 0.30 -2.00 -0.33 0.00 0.00 177.00 174.24 1jrp s GLU 83 N -5.25 0.24 0.48 5.54 2.12 -1.26 -4.83 118.70 115.74 1jrp s GLU 83 Ca 0.58 0.48 -0.23 0.00 0.36 0.00 0.00 54.97 56.16 1jrp s GLU 83 Cb -0.12 -0.62 -0.07 0.00 0.26 0.00 0.00 34.13 33.58 1jrp s GLU 83 CO 0.53 -0.55 1.22 -1.25 -0.54 0.00 0.00 175.26 174.67 1jrp s PRO 84 N 2.44 3.61 -0.09 4.30 0.04 -1.26 -0.96 135.00 143.07 1jrp s PRO 84 Ca 0.07 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 62.78 1jrp s PRO 84 Cb -0.15 -2.38 -0.20 0.00 0.04 0.00 0.00 34.50 31.82 1jrp s PRO 84 CO -0.13 -0.71 0.80 0.28 0.04 0.00 0.00 177.00 177.28 1jrp h VAL 85 N 1.78 1.29 -3.07 -0.36 2.07 -1.90 -3.44 116.25 112.62 1jrp h VAL 85 Ca -0.50 -1.68 -0.68 0.00 0.82 0.00 0.00 66.70 64.66 1jrp h VAL 85 Cb 1.26 2.31 -0.12 0.00 -1.52 0.00 0.00 31.29 33.22 1jrp h VAL 85 CO 0.59 0.39 -0.57 -0.76 0.02 0.00 0.00 177.57 177.24 1jrp s LEU 86 N -8.62 3.88 0.12 2.57 1.43 -1.26 -4.68 118.68 112.11 1jrp s LEU 86 Ca -0.15 0.26 -0.35 0.00 -1.03 0.00 0.00 54.13 52.86 1jrp s LEU 86 Cb -0.01 -1.91 -0.16 0.00 0.03 0.00 0.00 46.19 44.14 1jrp s LEU 86 CO 0.56 0.39 1.31 0.00 0.23 0.00 0.00 176.35 178.83 1jrp n ALA 87 N 2.11 -0.69 -3.58 4.21 0.00 -1.08 -4.73 120.51 116.76 1jrp n ALA 87 Ca -0.19 0.49 -0.37 0.00 0.00 0.00 0.00 53.44 53.37 1jrp n ALA 87 Cb 0.54 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 1jrp n ALA 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jrp n THR 88 N 2.26 3.28 0.00 0.00 -2.24 -1.26 -4.34 114.28 111.98 1jrp n THR 88 Ca 0.17 -5.17 0.00 0.00 -2.27 0.00 0.00 64.05 56.78 1jrp n THR 88 Cb 0.22 -2.40 0.00 0.00 -2.10 0.00 0.00 70.33 66.05 1jrp n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrp n GLY 89 N 2.31 2.77 3.18 3.38 0.00 -1.26 -4.95 105.19 110.62 1jrp n GLY 89 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1jrp n GLY 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jrp s GLU 90 N -0.07 0.74 0.34 1.61 -1.05 -1.26 0.17 118.70 119.18 1jrp s GLU 90 Ca 0.00 -0.81 0.09 0.00 -0.15 0.00 0.00 54.97 54.09 1jrp s GLU 90 Cb 0.00 0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 1jrp s GLU 90 CO 0.00 -0.22 0.08 0.14 0.95 0.00 0.00 175.26 176.21 1jrp s VAL 91 N -3.19 2.88 0.00 1.83 -7.23 -0.21 -4.86 120.40 109.62 1jrp s VAL 91 Ca -0.00 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1jrp s VAL 91 Cb 0.02 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1jrp s VAL 91 CO -0.07 -0.20 0.49 1.41 -0.31 0.00 0.00 175.10 176.42 1jrp n HIS 92 N -1.05 0.00 -3.56 2.82 -0.00 -1.26 -2.96 115.22 109.21 1jrp n HIS 92 Ca -0.04 -0.12 -0.06 0.00 -0.00 0.00 0.00 57.72 57.50 1jrp n HIS 92 Cb 0.62 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.99 30.57 1jrp n HIS 92 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 1jrp s PHE 93 N -0.23 -0.23 -0.09 4.41 -0.12 -1.06 -4.13 117.98 116.52 1jrp s PHE 93 Ca 0.00 0.20 -0.29 0.00 -0.05 0.00 0.00 56.93 56.79 1jrp s PHE 93 Cb 0.00 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1jrp s PHE 93 CO 0.00 -0.33 0.96 0.08 -0.05 0.00 0.00 175.22 175.87 1jrp s VAL 94 N -2.42 4.83 0.00 -2.49 1.01 -1.21 -2.29 120.40 117.83 1jrp s VAL 94 Ca 0.06 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1jrp s VAL 94 Cb -0.01 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1jrp s VAL 94 CO -0.06 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1jrp n GLY 95 N 3.11 3.45 3.66 4.51 0.00 -1.11 -4.82 105.19 114.00 1jrp n GLY 95 Ca 0.07 -1.03 -0.62 0.00 0.00 0.00 0.00 46.02 44.45 1jrp n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jrp n GLN 96 N 0.00 0.37 -2.29 1.61 7.27 -0.97 -4.14 117.38 119.23 1jrp n GLN 96 Ca 0.00 0.13 -0.38 0.00 0.07 0.00 0.00 57.00 56.82 1jrp n GLN 96 Cb 0.00 -1.69 -0.02 0.00 2.41 0.00 0.00 30.24 30.94 1jrp n GLN 96 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1jrp s PRO 97 N 2.10 4.07 0.00 3.69 0.02 -1.26 0.10 135.00 143.72 1jrp s PRO 97 Ca 0.98 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1jrp s PRO 97 Cb -1.29 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 30.54 1jrp s PRO 97 CO 0.69 -0.31 0.00 -0.89 -0.33 0.00 0.00 177.00 176.16 1jrp n ILE 98 N 0.10 0.00 -4.39 2.83 5.41 0.40 -2.62 119.36 121.08 1jrp n ILE 98 Ca 0.04 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.58 1jrp n ILE 98 Cb 0.46 -0.79 -0.09 0.00 -0.71 0.00 0.00 39.64 38.52 1jrp n ILE 98 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1jrp s PHE 99 N -1.86 1.69 -0.02 1.39 -0.12 -1.21 -4.08 117.98 113.77 1jrp s PHE 99 Ca 0.00 -1.31 0.04 0.00 -0.05 0.00 0.00 56.93 55.61 1jrp s PHE 99 Cb 0.00 -0.98 -0.01 0.00 -0.63 0.00 0.00 43.02 41.40 1jrp s PHE 99 CO 0.00 -0.42 -0.16 -1.17 -0.05 0.00 0.00 175.22 173.43 1jrp s LEU 100 N -3.45 1.96 -0.08 -1.99 2.96 -0.80 -0.43 118.68 116.85 1jrp s LEU 100 Ca 0.33 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1jrp s LEU 100 Cb 0.05 -0.84 -0.00 0.00 0.50 0.00 0.00 46.19 45.89 1jrp s LEU 100 CO 0.17 0.17 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.45 1jrp s VAL 101 N -0.16 1.93 -0.19 1.68 1.01 -0.64 0.19 120.40 124.23 1jrp s VAL 101 Ca 0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1jrp s VAL 101 Cb -0.08 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1jrp s VAL 101 CO 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.52 1jrp s ALA 102 N 0.15 2.57 0.29 5.51 0.00 -0.59 -1.52 121.76 128.17 1jrp s ALA 102 Ca -0.12 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.75 1jrp s ALA 102 Cb -0.16 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 1jrp s ALA 102 CO 0.06 -0.27 0.18 0.00 0.00 0.00 0.00 175.76 175.73 1jrp n ALA 103 N 4.49 0.52 1.90 0.00 0.00 0.16 0.52 120.51 128.10 1jrp n ALA 103 Ca -0.19 -1.58 0.03 0.00 0.00 0.00 0.00 53.44 51.70 1jrp n ALA 103 Cb 0.51 1.19 0.17 0.00 0.00 0.00 0.00 19.45 21.32 1jrp n ALA 103 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jrp n THR 104 N -0.60 0.04 -3.64 0.00 -2.24 0.40 -1.54 114.28 106.71 1jrp n THR 104 Ca 0.02 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1jrp n THR 104 Cb 0.48 -0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 1jrp n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jrp s SER 105 N -1.18 -0.57 0.03 3.42 1.04 -1.26 -4.78 113.70 110.40 1jrp s SER 105 Ca 0.10 1.04 -0.05 0.00 0.48 0.00 0.00 55.95 57.52 1jrp s SER 105 Cb 0.05 1.10 -0.01 0.00 0.10 0.00 0.00 66.02 67.26 1jrp s SER 105 CO 0.08 -0.17 0.76 1.57 0.98 0.00 0.00 173.24 176.46 1jrp n HIS 106 N 2.77 -0.08 -0.01 5.02 -0.00 -1.26 -0.69 115.22 120.97 1jrp n HIS 106 Ca -0.15 0.21 -0.05 0.00 0.46 0.00 0.00 57.72 58.20 1jrp n HIS 106 Cb 0.56 -0.39 -0.03 0.00 -0.12 0.00 0.00 29.99 30.01 1jrp n HIS 106 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1jrp h ARG 107 N 0.00 -0.19 -0.58 1.57 2.47 -1.98 0.12 114.38 115.79 1jrp h ARG 107 Ca 0.03 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.83 1jrp h ARG 107 Cb 0.07 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.35 1jrp h ARG 107 CO -0.16 -0.13 -0.30 0.00 0.56 0.00 0.00 179.97 179.95 1jrp n ALA 108 N -2.73 -0.25 -0.03 0.04 0.00 -0.46 0.21 120.51 117.29 1jrp n ALA 108 Ca -0.02 0.53 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 1jrp n ALA 108 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 1jrp n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jrp h ALA 109 N 0.49 -0.30 0.08 0.00 0.00 0.15 0.56 119.26 120.24 1jrp h ALA 109 Ca 0.14 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jrp h ALA 109 Cb 0.28 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1jrp h ALA 109 CO -0.56 -0.76 -0.28 0.00 0.00 0.00 0.00 179.25 177.65 1jrp h ARG 110 N -0.35 -0.45 -0.10 0.00 3.08 0.40 0.11 114.38 117.07 1jrp h ARG 110 Ca 0.12 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1jrp h ARG 110 Cb 0.53 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.62 1jrp h ARG 110 CO -0.39 -0.30 -0.39 0.82 -1.07 0.00 0.00 179.97 178.64 1jrp h ILE 111 N -0.47 0.19 -0.93 2.04 2.04 -0.27 0.13 117.51 120.24 1jrp h ILE 111 Ca 0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.03 1jrp h ILE 111 Cb 0.52 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 1jrp h ILE 111 CO -0.19 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.51 1jrp h ALA 112 N 0.19 1.40 0.00 1.87 0.00 0.27 0.94 119.26 123.94 1jrp h ALA 112 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jrp h ALA 112 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jrp h ALA 112 CO -0.37 0.09 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1jrp n ALA 113 N -2.37 1.16 1.13 0.00 0.00 0.28 -0.79 120.51 119.92 1jrp n ALA 113 Ca 0.18 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1jrp n ALA 113 Cb 0.38 -1.01 0.20 0.00 0.00 0.00 0.00 19.45 19.02 1jrp n ALA 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jrp n ARG 114 N -1.37 0.97 -0.19 0.00 1.74 0.33 -4.36 116.66 113.77 1jrp n ARG 114 Ca 0.00 -0.69 0.06 0.00 -0.77 0.00 0.00 57.85 56.45 1jrp n ARG 114 Cb 0.01 -1.49 0.18 0.00 -1.02 0.00 0.00 32.46 30.14 1jrp n ARG 114 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jrp n LYS 115 N -0.41 1.89 -1.34 5.56 5.02 0.03 -4.94 118.16 123.97 1jrp n LYS 115 Ca 0.11 -1.38 -0.30 0.00 -2.02 0.00 0.00 58.31 54.71 1jrp n LYS 115 Cb 0.40 -1.30 0.11 0.00 -0.02 0.00 0.00 35.03 34.22 1jrp n LYS 115 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jrp s ALA 116 N -1.49 1.90 -0.29 7.82 0.00 -1.26 -4.57 121.76 123.86 1jrp s ALA 116 Ca 0.26 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1jrp s ALA 116 Cb 0.14 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 20.16 1jrp s ALA 116 CO 0.18 -2.04 -0.03 1.03 0.00 0.00 0.00 175.76 174.90 1jrp s ARG 117 N -5.01 1.82 0.00 0.00 0.52 -0.91 -5.04 118.95 110.33 1jrp s ARG 117 Ca 0.62 -1.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1jrp s ARG 117 Cb -0.17 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1jrp s ARG 117 CO 0.56 -0.74 -0.19 0.42 0.02 0.00 0.00 175.30 175.37 1jrp s ILE 118 N 1.06 2.66 -0.08 1.52 1.01 -1.26 -1.37 121.20 124.73 1jrp s ILE 118 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.64 1jrp s ILE 118 Cb -0.19 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1jrp s ILE 118 CO -0.07 0.47 -0.19 0.42 0.00 0.00 0.00 174.94 175.57 1jrp s THR 119 N -0.79 2.57 0.21 2.92 -4.23 0.18 -4.95 115.64 111.55 1jrp s THR 119 Ca 0.12 -0.87 0.11 0.00 -1.18 0.00 0.00 61.69 59.87 1jrp s THR 119 Cb -0.10 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 1jrp s THR 119 CO 0.02 0.56 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.18 1jrp s TYR 120 N -0.06 2.42 -0.67 3.99 1.51 -1.26 0.92 117.35 124.20 1jrp s TYR 120 Ca -0.05 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1jrp s TYR 120 Cb -0.14 -1.16 0.16 0.00 -0.11 0.00 0.00 41.96 40.71 1jrp s TYR 120 CO 0.04 0.55 0.45 0.00 -1.11 0.00 0.00 175.55 175.49 1jrp s ALA 121 N -1.88 3.72 0.80 3.71 0.00 -0.47 -4.88 121.76 122.76 1jrp s ALA 121 Ca 0.24 -3.69 -0.15 0.00 0.00 0.00 0.00 51.96 48.37 1jrp s ALA 121 Cb -0.08 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.83 1jrp s ALA 121 CO 0.13 -2.08 0.64 -2.30 0.00 0.00 0.00 175.76 172.15 1jrp n PRO 122 N 2.31 0.13 -4.16 0.00 -0.02 -1.26 -2.53 135.00 129.47 1jrp n PRO 122 Ca 0.16 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1jrp n PRO 122 Cb 0.34 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 31.76 1jrp n PRO 122 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jrp s ARG 123 N -3.27 0.89 0.31 -0.52 0.52 -0.30 -4.86 118.95 111.72 1jrp s ARG 123 Ca 0.65 -1.40 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 1jrp s ARG 123 Cb -0.30 0.02 -0.12 0.00 0.52 0.00 0.00 34.95 35.07 1jrp s ARG 123 CO 0.59 -0.15 1.43 -0.35 0.02 0.00 0.00 175.30 176.84 1jrp n PRO 124 N -0.08 2.34 -4.70 3.54 -0.04 -1.26 -4.69 135.00 130.10 1jrp n PRO 124 Ca -0.09 0.82 -0.32 0.00 -0.04 0.00 0.00 63.50 63.88 1jrp n PRO 124 Cb 0.62 -2.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.46 1jrp n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jrp s ALA 125 N -0.57 2.72 -0.41 0.55 0.00 -1.26 -4.95 121.76 117.84 1jrp s ALA 125 Ca 0.60 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 1jrp s ALA 125 Cb -0.56 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1jrp s ALA 125 CO 0.56 0.58 0.34 0.42 0.00 0.00 0.00 175.76 177.66 1jrp s ILE 126 N -0.87 5.20 -0.43 0.00 1.01 -1.26 -4.89 121.20 119.97 1jrp s ILE 126 Ca 0.14 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1jrp s ILE 126 Cb -0.11 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1jrp s ILE 126 CO 0.04 -0.34 0.38 0.18 0.00 0.00 0.00 174.94 175.20 1jrp n LEU 127 N 5.30 0.66 -4.14 2.97 4.77 -1.26 -0.83 117.00 124.47 1jrp n LEU 127 Ca -0.10 -0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 55.08 1jrp n LEU 127 Cb 0.47 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1jrp n LEU 127 CO 0.43 0.14 -0.42 0.42 -1.33 0.00 0.00 177.39 176.63 1jrp s THR 128 N -1.20 0.83 0.19 -5.08 -4.23 -1.26 -4.94 115.64 99.95 1jrp s THR 128 Ca 0.04 -1.43 -0.18 0.00 -1.18 0.00 0.00 61.69 58.93 1jrp s THR 128 Cb 0.05 -1.11 0.16 0.00 1.34 0.00 0.00 72.50 72.94 1jrp s THR 128 CO 0.18 -0.47 1.61 -0.07 -0.54 0.00 0.00 174.62 175.33 1jrp h LEU 129 N 3.93 -0.90 -0.46 4.79 -0.00 -1.97 0.26 115.31 120.95 1jrp h LEU 129 Ca -0.37 0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1jrp h LEU 129 Cb 1.19 0.48 -0.02 0.00 -0.00 0.00 0.00 40.66 42.31 1jrp h LEU 129 CO 0.48 -0.27 0.28 0.44 -0.00 0.00 0.00 178.44 179.36 1jrp h ASP 130 N -0.12 0.56 -0.88 -0.43 3.32 -1.98 1.64 116.42 118.53 1jrp h ASP 130 Ca 0.25 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.35 1jrp h ASP 130 Cb 0.51 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 1jrp h ASP 130 CO -0.64 0.46 0.52 1.56 -1.72 0.00 0.00 179.24 179.42 1jrp h GLN 131 N 0.62 0.81 -0.11 3.56 4.20 -1.18 0.78 115.11 123.79 1jrp h GLN 131 Ca 0.17 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1jrp h GLN 131 Cb 0.00 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1jrp h GLN 131 CO -0.03 0.54 -0.07 0.00 -0.67 0.00 0.00 178.83 178.59 1jrp h ALA 132 N 1.49 0.16 -0.53 3.87 0.00 0.45 0.42 119.26 125.13 1jrp h ALA 132 Ca 0.44 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1jrp h ALA 132 Cb 0.43 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 1jrp h ALA 132 CO -0.26 -0.03 -0.27 1.25 0.00 0.00 0.00 179.25 179.93 1jrp h LEU 133 N -0.12 -0.93 -0.38 0.00 5.85 0.24 0.52 115.31 120.50 1jrp h LEU 133 Ca 0.02 0.20 0.08 0.00 0.84 0.00 0.00 57.88 59.02 1jrp h LEU 133 Cb 0.56 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1jrp h LEU 133 CO 0.02 -0.28 -0.09 0.00 -0.34 0.00 0.00 178.44 177.76 1jrp h ALA 134 N 1.12 0.26 -0.27 1.25 0.00 0.28 -0.60 119.26 121.31 1jrp h ALA 134 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1jrp h ALA 134 Cb 0.51 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jrp h ALA 134 CO -0.61 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.19 1jrp n ALA 135 N -2.67 2.49 -4.25 0.00 0.00 0.13 -4.89 120.51 111.31 1jrp n ALA 135 Ca 0.02 -0.49 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 1jrp n ALA 135 Cb 0.21 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 1jrp n ALA 135 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jrp n ASP 136 N 0.30 0.42 -4.42 0.00 2.03 0.17 -4.89 116.55 110.15 1jrp n ASP 136 Ca 0.09 -1.25 -0.44 0.00 0.52 0.00 0.00 54.79 53.72 1jrp n ASP 136 Cb 0.25 -1.78 -0.06 0.00 -0.72 0.00 0.00 41.12 38.80 1jrp n ASP 136 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1jrp s SER 137 N -4.32 6.20 0.37 1.67 0.15 -0.58 -5.03 113.70 112.16 1jrp s SER 137 Ca 0.04 -1.07 -0.08 0.00 0.70 0.00 0.00 55.95 55.54 1jrp s SER 137 Cb -0.02 -2.26 0.03 0.00 -1.71 0.00 0.00 66.02 62.06 1jrp s SER 137 CO 0.98 -0.84 0.63 0.00 1.20 0.00 0.00 173.24 175.22 1jrp s ARG 138 N 2.35 2.11 0.22 5.44 1.70 -1.26 -0.89 118.95 128.62 1jrp s ARG 138 Ca 0.12 -1.65 0.09 0.00 -0.47 0.00 0.00 55.73 53.82 1jrp s ARG 138 Cb -0.21 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1jrp s ARG 138 CO 0.10 -0.93 -0.07 -0.06 -1.08 0.00 0.00 175.30 173.25 1jrp s PHE 139 N -2.59 2.62 -0.93 5.89 0.40 0.13 -4.67 117.98 118.83 1jrp s PHE 139 Ca 0.24 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1jrp s PHE 139 Cb -0.03 -1.22 0.00 0.00 0.51 0.00 0.00 43.02 42.29 1jrp s PHE 139 CO 0.17 0.58 0.43 0.39 0.70 0.00 0.00 175.22 177.49 1jrp n GLU 140 N -0.38 -3.32 -3.54 0.44 1.02 -1.26 -4.03 120.64 109.56 1jrp n GLU 140 Ca -0.09 0.55 -0.10 0.00 -0.02 0.00 0.00 57.16 57.50 1jrp n GLU 140 Cb 0.57 -4.66 -0.00 0.00 -0.02 0.00 0.00 31.44 27.33 1jrp n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jrp n GLY 141 N -1.26 -0.14 0.00 0.62 0.00 -1.26 -4.63 105.19 98.51 1jrp n GLY 141 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1jrp n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrp n GLY 142 N -1.25 3.67 3.63 -0.02 0.00 -1.26 -5.11 105.19 104.84 1jrp n GLY 142 Ca -0.04 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1jrp n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jrp s PRO 143 N -3.35 -0.37 -0.09 1.61 0.04 -1.26 -4.82 135.00 126.76 1jrp s PRO 143 Ca 0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1jrp s PRO 143 Cb 0.00 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 1jrp s PRO 143 CO 0.00 -3.21 -0.09 0.08 0.04 0.00 0.00 177.00 173.82 1jrp s VAL 144 N -2.96 3.47 -0.05 -0.36 1.01 0.83 -4.88 120.40 117.45 1jrp s VAL 144 Ca 0.68 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1jrp s VAL 144 Cb -0.15 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1jrp s VAL 144 CO 0.57 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 175.48 1jrp s ILE 145 N -0.31 1.09 0.06 2.22 1.01 -1.26 0.52 121.20 124.53 1jrp s ILE 145 Ca 0.04 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1jrp s ILE 145 Cb -0.13 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 1jrp s ILE 145 CO 0.02 0.34 -0.16 0.26 0.00 0.00 0.00 174.94 175.40 1jrp s TRP 146 N 0.51 1.38 -0.15 3.97 0.51 -0.89 -4.94 118.94 119.33 1jrp s TRP 146 Ca -0.11 -0.40 -0.08 0.00 -2.12 0.00 0.00 56.10 53.39 1jrp s TRP 146 Cb -0.14 -0.80 0.05 0.00 -0.81 0.00 0.00 33.47 31.78 1jrp s TRP 146 CO 0.03 0.08 0.35 0.00 -0.51 0.00 0.00 176.95 176.89 1jrp s ALA 147 N -1.03 -0.86 -0.12 0.98 0.00 -1.26 -0.73 121.76 118.73 1jrp s ALA 147 Ca 0.02 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.32 1jrp s ALA 147 Cb -0.09 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1jrp s ALA 147 CO 0.02 -0.24 -0.14 0.50 0.00 0.00 0.00 175.76 175.90 1jrp s ARG 148 N 1.35 2.19 2.42 0.00 3.52 0.37 -4.98 118.95 123.82 1jrp s ARG 148 Ca -0.09 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1jrp s ARG 148 Cb -0.09 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.36 1jrp s ARG 148 CO -0.11 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 1jrp n GLY 149 N 4.44 -0.93 2.64 8.12 0.00 -1.26 -1.15 105.19 117.05 1jrp n GLY 149 Ca -0.18 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 1jrp n GLY 149 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jrp s ASP 150 N -4.00 3.46 0.18 1.61 2.15 -1.26 -4.84 116.67 113.97 1jrp s ASP 150 Ca 0.00 -2.44 -0.13 0.00 0.43 0.00 0.00 52.55 50.42 1jrp s ASP 150 Cb 0.00 -0.83 0.13 0.00 -0.30 0.00 0.00 42.92 41.92 1jrp s ASP 150 CO 0.00 -0.29 1.81 -0.37 -0.17 0.00 0.00 175.17 176.15 1jrp h VAL 151 N 5.25 1.02 -0.25 1.11 -1.51 -1.89 -1.50 116.25 118.48 1jrp h VAL 151 Ca 0.00 -0.21 0.01 0.00 -1.23 0.00 0.00 66.70 65.28 1jrp h VAL 151 Cb 0.94 0.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 1jrp h VAL 151 CO 0.42 0.11 0.13 -0.33 -1.23 0.00 0.00 177.57 176.66 1jrp h GLU 152 N 0.61 0.26 -0.13 5.19 4.39 -1.98 0.23 114.58 123.15 1jrp h GLU 152 Ca 0.23 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.95 1jrp h GLU 152 Cb 0.07 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 1jrp h GLU 152 CO -0.12 0.17 -0.17 1.15 -1.16 0.00 0.00 179.01 178.89 1jrp h THR 153 N 0.27 0.56 -0.66 1.13 2.02 -1.85 -1.41 112.91 112.97 1jrp h THR 153 Ca 0.10 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.35 1jrp h THR 153 Cb 0.02 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1jrp h THR 153 CO -0.07 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.17 1jrp h ALA 154 N 0.83 0.89 -0.29 6.16 0.00 -0.11 -2.65 119.26 124.08 1jrp h ALA 154 Ca 0.10 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1jrp h ALA 154 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jrp h ALA 154 CO -0.25 -0.00 -0.49 -0.07 0.00 0.00 0.00 179.25 178.43 1jrp h LEU 155 N 0.63 0.95 -0.94 0.00 3.38 -0.09 -3.03 115.31 116.20 1jrp h LEU 155 Ca 0.31 -0.52 0.22 0.00 0.09 0.00 0.00 57.88 57.97 1jrp h LEU 155 Cb 0.24 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 40.60 1jrp h LEU 155 CO -0.21 1.29 0.50 0.00 0.09 0.00 0.00 178.44 180.10 1jrp h ALA 156 N 0.69 1.57 -0.90 1.53 0.00 -0.90 -0.95 119.26 120.29 1jrp h ALA 156 Ca 0.02 0.13 -0.67 0.00 0.00 0.00 0.00 54.91 54.39 1jrp h ALA 156 Cb 1.10 0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.69 1jrp h ALA 156 CO 0.11 -0.25 0.87 0.41 0.00 0.00 0.00 179.25 180.39 1jrp n GLY 157 N -1.32 5.40 3.42 0.00 0.00 -1.15 -4.99 105.19 106.55 1jrp n GLY 157 Ca 0.23 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1jrp n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrp s ALA 158 N -3.53 2.83 0.27 4.61 0.00 -0.36 -4.95 121.76 120.63 1jrp s ALA 158 Ca 0.56 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 1jrp s ALA 158 Cb 0.44 -1.47 0.57 0.00 0.00 0.00 0.00 23.12 22.66 1jrp s ALA 158 CO -0.22 0.10 1.61 0.00 0.00 0.00 0.00 175.76 177.26 1jrp h ALA 159 N 6.98 0.95 -2.43 0.00 0.00 -1.76 -3.42 119.26 119.58 1jrp h ALA 159 Ca -0.31 0.28 -0.42 0.00 0.00 0.00 0.00 54.91 54.46 1jrp h ALA 159 Cb 1.19 0.48 -0.16 0.00 0.00 0.00 0.00 17.79 19.31 1jrp h ALA 159 CO 0.60 -0.47 -0.74 -1.01 0.00 0.00 0.00 179.25 177.63 1jrp s HIS 160 N -6.07 1.54 -0.13 0.00 3.76 -0.45 -4.99 115.29 108.96 1jrp s HIS 160 Ca -0.13 -0.61 -0.25 0.00 -0.15 0.00 0.00 55.06 53.92 1jrp s HIS 160 Cb 0.25 -0.75 0.06 0.00 1.11 0.00 0.00 32.58 33.25 1jrp s HIS 160 CO 0.77 0.24 0.62 -1.17 -0.85 0.00 0.00 174.74 174.34 1jrp s LEU 161 N -3.03 -0.39 -0.07 0.89 2.96 -1.26 -2.26 118.68 115.52 1jrp s LEU 161 Ca 0.17 0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1jrp s LEU 161 Cb -0.01 2.24 0.04 0.00 0.50 0.00 0.00 46.19 48.96 1jrp s LEU 161 CO 0.04 -0.42 0.14 0.00 -1.32 0.00 0.00 176.35 174.79 1jrp s ALA 162 N -0.55 -0.17 0.15 5.97 0.00 0.23 -4.93 121.76 122.46 1jrp s ALA 162 Ca -0.07 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.55 1jrp s ALA 162 Cb -0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1jrp s ALA 162 CO 0.05 -0.38 -0.08 -1.21 0.00 0.00 0.00 175.76 174.14 1jrp s GLU 163 N 1.79 2.13 -0.24 0.00 2.02 -1.26 -0.27 118.70 122.87 1jrp s GLU 163 Ca -0.02 -1.16 -0.37 0.00 0.02 0.00 0.00 54.97 53.44 1jrp s GLU 163 Cb -0.12 -2.24 0.15 0.00 0.10 0.00 0.00 34.13 32.02 1jrp s GLU 163 CO -0.06 0.46 1.38 0.20 0.02 0.00 0.00 175.26 177.26 1jrp s GLY 164 N -2.62 -0.27 -0.11 -1.39 0.00 -0.87 -5.00 107.32 97.07 1jrp s GLY 164 Ca 0.24 1.69 -0.11 0.00 0.00 0.00 0.00 44.72 46.54 1jrp s GLY 164 CO 0.15 0.54 0.30 0.00 0.00 0.00 0.00 173.10 174.09 1jrp s PHE 166 N 0.13 -0.41 -0.01 0.00 -0.12 0.77 -4.97 117.98 113.37 1jrp s PHE 166 Ca -0.00 0.18 -0.00 0.00 -0.05 0.00 0.00 56.93 57.06 1jrp s PHE 166 Cb -0.02 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1jrp s PHE 166 CO 0.00 -0.82 0.06 -1.21 -0.05 0.00 0.00 175.22 173.20 1jrp s GLU 167 N -3.57 2.99 -0.15 1.99 0.41 -1.26 -0.82 118.70 118.29 1jrp s GLU 167 Ca 0.04 -0.51 -0.00 0.00 -0.41 0.00 0.00 54.97 54.09 1jrp s GLU 167 Cb -0.02 -2.81 0.03 0.00 -1.78 0.00 0.00 34.13 29.56 1jrp s GLU 167 CO -0.08 0.65 -0.08 0.42 -0.49 0.00 0.00 175.26 175.67 1jrp s ILE 168 N -1.15 1.26 0.71 -1.63 1.01 0.97 -1.88 121.20 120.49 1jrp s ILE 168 Ca 0.21 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 1jrp s ILE 168 Cb -0.12 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1jrp s ILE 168 CO 0.12 0.26 1.08 -0.83 0.00 0.00 0.00 174.94 175.57 1jrp s GLY 169 N 1.59 1.64 0.00 6.18 0.00 -1.10 -0.70 107.32 114.93 1jrp s GLY 169 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1jrp s GLY 169 CO -0.08 0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.80 1jrp n GLY 170 N -2.53 -0.98 3.64 0.20 0.00 -1.26 -4.57 105.19 99.69 1jrp n GLY 170 Ca 0.07 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.61 1jrp n GLY 170 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jrp s GLN 171 N 0.00 0.39 -0.11 1.61 0.74 -1.26 -4.78 119.66 116.25 1jrp s GLN 171 Ca 0.00 0.56 -0.17 0.00 0.05 0.00 0.00 55.36 55.80 1jrp s GLN 171 Cb 0.00 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 1jrp s GLN 171 CO 0.00 -0.06 0.43 -2.00 -0.55 0.00 0.00 175.29 173.10 1jrp s GLU 172 N 0.73 4.27 0.19 1.67 2.56 -1.26 -1.10 118.70 125.75 1jrp s GLU 172 Ca -0.02 0.37 -0.19 0.00 0.00 0.00 0.00 54.97 55.12 1jrp s GLU 172 Cb -0.04 -3.40 0.15 0.00 2.00 0.00 0.00 34.13 32.83 1jrp s GLU 172 CO -0.11 0.25 1.60 0.45 -0.56 0.00 0.00 175.26 176.88 1jrp h HIS 173 N 6.44 -0.78 -5.90 5.30 3.86 -1.95 -3.46 115.15 118.65 1jrp h HIS 173 Ca -0.42 0.07 -0.39 0.00 -1.16 0.00 0.00 60.37 58.46 1jrp h HIS 173 Cb 1.18 0.43 0.10 0.00 1.06 0.00 0.00 27.41 30.19 1jrp h HIS 173 CO 0.63 -0.36 -0.76 0.34 0.86 0.00 0.00 177.93 178.64 1jrp n PHE 174 N -5.44 -2.31 -2.07 2.45 7.35 -1.26 -4.93 117.46 111.25 1jrp n PHE 174 Ca 0.05 0.93 -0.42 0.00 -0.76 0.00 0.00 57.45 57.25 1jrp n PHE 174 Cb 0.35 -4.75 -0.03 0.00 0.35 0.00 0.00 39.48 35.40 1jrp n PHE 174 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 1jrp s TYR 175 N -3.42 3.12 0.27 -5.13 -0.85 -1.26 -4.90 117.35 105.17 1jrp s TYR 175 Ca 0.24 0.98 -0.04 0.00 -0.52 0.00 0.00 57.07 57.73 1jrp s TYR 175 Cb -0.11 -3.77 0.33 0.00 0.38 0.00 0.00 41.96 38.80 1jrp s TYR 175 CO 0.76 -2.58 1.87 -0.07 -1.52 0.00 0.00 175.55 174.01 1jrp h LEU 176 N 5.72 0.96 -9.48 -3.49 -0.00 -1.86 -3.37 115.31 103.78 1jrp h LEU 176 Ca -0.44 -0.10 -0.57 0.00 -0.00 0.00 0.00 57.88 56.76 1jrp h LEU 176 Cb 1.21 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 41.57 1jrp h LEU 176 CO 0.82 0.81 -0.06 -0.70 -0.00 0.00 0.00 178.44 179.30 1jrp s GLU 177 N -5.63 4.29 0.73 1.13 2.12 -0.95 -5.03 118.70 115.36 1jrp s GLU 177 Ca -0.11 0.64 -0.07 0.00 0.36 0.00 0.00 54.97 55.78 1jrp s GLU 177 Cb 0.17 -3.36 0.08 0.00 0.26 0.00 0.00 34.13 31.28 1jrp s GLU 177 CO 0.81 0.34 1.05 0.20 -0.54 0.00 0.00 175.26 177.12 1jrp s GLY 178 N -0.04 1.69 0.45 -1.50 0.00 -1.26 -4.82 107.32 101.84 1jrp s GLY 178 Ca 0.29 -0.97 -0.23 0.00 0.00 0.00 0.00 44.72 43.80 1jrp s GLY 178 CO 0.15 -0.52 0.99 -1.06 0.00 0.00 0.00 173.10 172.66 1jrp n GLN 179 N -3.02 1.28 -3.58 2.90 1.13 -1.26 -4.82 117.38 110.01 1jrp n GLN 179 Ca 0.09 0.46 -0.06 0.00 -1.94 0.00 0.00 57.00 55.56 1jrp n GLN 179 Cb 0.60 -2.05 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 1jrp n GLN 179 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jrp s ALA 180 N -1.32 -1.89 0.00 -1.58 0.00 -1.26 -2.24 121.76 113.46 1jrp s ALA 180 Ca 0.65 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 1jrp s ALA 180 Cb -0.53 0.32 0.10 0.00 0.00 0.00 0.00 23.12 23.01 1jrp s ALA 180 CO 0.56 -0.76 1.11 0.00 0.00 0.00 0.00 175.76 176.66 1jrp s ALA 181 N -2.91 -1.97 -0.21 0.00 0.00 -0.23 -1.97 121.76 114.47 1jrp s ALA 181 Ca 0.08 0.76 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 1jrp s ALA 181 Cb -0.00 0.36 0.06 0.00 0.00 0.00 0.00 23.12 23.53 1jrp s ALA 181 CO -0.06 -0.90 0.56 -1.17 0.00 0.00 0.00 175.76 174.20 1jrp s LEU 182 N -2.72 -0.17 -0.04 0.00 2.96 0.20 0.39 118.68 119.30 1jrp s LEU 182 Ca 0.11 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 1jrp s LEU 182 Cb 0.01 1.91 0.01 0.00 0.50 0.00 0.00 46.19 48.62 1jrp s LEU 182 CO -0.03 -0.20 -0.09 0.00 -1.32 0.00 0.00 176.35 174.71 1jrp s ALA 183 N 0.40 0.92 -0.13 5.97 0.00 -0.93 -0.57 121.76 127.42 1jrp s ALA 183 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1jrp s ALA 183 Cb -0.04 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1jrp s ALA 183 CO -0.01 0.10 -0.17 -0.51 0.00 0.00 0.00 175.76 175.18 1jrp s LEU 184 N 0.48 1.83 0.40 0.00 1.43 0.15 -2.25 118.68 120.71 1jrp s LEU 184 Ca -0.08 -0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 52.25 1jrp s LEU 184 Cb -0.12 -1.22 -0.10 0.00 0.03 0.00 0.00 46.19 44.78 1jrp s LEU 184 CO 0.01 0.01 1.47 -2.16 0.23 0.00 0.00 176.35 175.92 1jrp s PRO 185 N 1.10 3.97 -0.41 1.29 0.04 -1.26 -0.87 135.00 138.85 1jrp s PRO 185 Ca -0.03 2.53 0.04 0.00 0.04 0.00 0.00 61.00 63.59 1jrp s PRO 185 Cb -0.14 -2.87 0.17 0.00 0.04 0.00 0.00 34.50 31.69 1jrp s PRO 185 CO -0.05 -0.63 0.45 0.00 0.04 0.00 0.00 177.00 176.82 1jrp s ALA 186 N -1.14 -0.44 0.00 8.56 0.00 -0.94 -4.82 121.76 122.97 1jrp s ALA 186 Ca 0.55 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1jrp s ALA 186 Cb -0.46 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1jrp s ALA 186 CO 0.61 -2.13 0.00 -0.85 0.00 0.00 0.00 175.76 173.39 1jrp n GLU 187 N 3.65 -0.42 0.00 0.00 0.28 -1.26 -1.79 120.64 121.10 1jrp n GLU 187 Ca 0.17 0.63 0.00 0.00 -0.16 0.00 0.00 57.16 57.80 1jrp n GLU 187 Cb 0.49 -0.63 0.00 0.00 1.43 0.00 0.00 31.44 32.73 1jrp n GLU 187 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jrp n GLY 188 N 1.40 1.68 0.00 -1.84 0.00 -1.26 -4.92 105.19 100.24 1jrp n GLY 188 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1jrp n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrp n GLY 189 N 0.00 6.32 3.10 -0.02 0.00 -0.74 -5.08 105.19 108.77 1jrp n GLY 189 Ca 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 1jrp n GLY 189 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jrp s VAL 190 N 1.40 0.13 -0.05 1.61 -7.23 -0.86 -2.22 120.40 113.18 1jrp s VAL 190 Ca 0.00 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 1jrp s VAL 190 Cb 0.00 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 1jrp s VAL 190 CO 0.00 -0.57 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.39 1jrp s VAL 191 N -2.33 3.07 -0.08 1.32 1.01 -0.05 -1.70 120.40 121.63 1jrp s VAL 191 Ca -0.07 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1jrp s VAL 191 Cb -0.03 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1jrp s VAL 191 CO -0.03 0.59 -0.19 -0.63 0.00 0.00 0.00 175.10 174.84 1jrp s ILE 192 N -0.66 1.63 -0.12 2.22 -1.09 0.45 0.29 121.20 123.92 1jrp s ILE 192 Ca 0.10 -0.77 -0.05 0.00 -2.23 0.00 0.00 60.65 57.71 1jrp s ILE 192 Cb -0.11 -1.44 -0.04 0.00 -1.58 0.00 0.00 42.46 39.30 1jrp s ILE 192 CO 0.01 0.47 0.06 -1.00 -1.23 0.00 0.00 174.94 173.24 1jrp s HIS 193 N 0.50 3.31 0.38 3.97 3.76 0.27 -1.84 115.29 125.64 1jrp s HIS 193 Ca -0.17 0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 54.90 1jrp s HIS 193 Cb -0.17 -1.90 0.04 0.00 1.11 0.00 0.00 32.58 31.66 1jrp s HIS 193 CO 0.06 0.48 0.68 0.00 -0.85 0.00 0.00 174.74 175.11 1jrp n SER 195 N -1.48 5.38 -4.36 0.00 2.88 -0.83 -4.66 113.62 110.54 1jrp n SER 195 Ca -0.05 -3.45 -0.19 0.00 -1.33 0.00 0.00 58.87 53.85 1jrp n SER 195 Cb 0.60 -1.01 -0.10 0.00 -0.75 0.00 0.00 64.21 62.96 1jrp n SER 195 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jrp s SER 196 N -2.12 2.60 0.00 -3.46 0.15 -1.26 -4.72 113.70 104.89 1jrp s SER 196 Ca 0.36 -1.04 0.25 0.00 0.70 0.00 0.00 55.95 56.21 1jrp s SER 196 Cb 0.10 -0.14 1.01 0.00 -1.71 0.00 0.00 66.02 65.29 1jrp s SER 196 CO 0.04 -0.19 1.71 0.00 1.20 0.00 0.00 173.24 176.00 1jrp n GLN 197 N -0.41 1.61 -3.10 5.44 6.02 0.09 -4.59 117.38 122.43 1jrp n GLN 197 Ca -0.08 -0.89 -0.19 0.00 -0.01 0.00 0.00 57.00 55.83 1jrp n GLN 197 Cb 0.61 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.39 1jrp n GLN 197 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1jrp n HIS 198 N 0.09 -0.74 -0.27 1.08 -0.00 -1.25 -1.91 115.22 112.23 1jrp n HIS 198 Ca 0.18 -3.32 -0.01 0.00 0.46 0.00 0.00 57.72 55.03 1jrp n HIS 198 Cb 0.31 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 30.31 1jrp n HIS 198 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1jrp h PRO 199 N 3.60 0.79 -0.90 1.57 0.10 -1.90 -0.28 132.00 134.98 1jrp h PRO 199 Ca 0.04 -0.05 0.05 0.00 0.10 0.00 0.00 66.00 66.14 1jrp h PRO 199 Cb 0.94 -0.18 -0.05 0.00 0.10 0.00 0.00 31.00 31.81 1jrp h PRO 199 CO 0.43 0.52 0.59 0.77 0.10 0.00 0.00 178.00 180.41 1jrp h SER 200 N 0.81 0.94 -0.17 -2.05 0.02 -1.89 0.76 113.55 111.97 1jrp h SER 200 Ca 0.33 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1jrp h SER 200 Cb 0.18 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1jrp h SER 200 CO -0.18 0.63 0.08 -0.08 -1.14 0.00 0.00 176.83 176.14 1jrp h GLU 201 N 1.08 0.25 -0.34 3.45 4.81 -1.33 -1.74 114.58 120.76 1jrp h GLU 201 Ca 0.37 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.66 1jrp h GLU 201 Cb 0.10 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1jrp h GLU 201 CO -0.12 0.29 0.25 0.82 -0.73 0.00 0.00 179.01 179.51 1jrp h ILE 202 N 0.15 0.84 0.80 2.32 1.08 0.57 0.88 117.51 124.15 1jrp h ILE 202 Ca 0.06 -0.01 -0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1jrp h ILE 202 Cb 0.12 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1jrp h ILE 202 CO -0.01 0.01 -0.41 -0.61 -0.69 0.00 0.00 178.15 176.44 1jrp h GLN 203 N 0.03 -1.07 -0.05 2.37 4.15 0.84 0.24 115.11 121.62 1jrp h GLN 203 Ca 0.16 0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.69 1jrp h GLN 203 Cb 0.61 0.24 -0.05 0.00 0.21 0.00 0.00 27.48 28.49 1jrp h GLN 203 CO -0.01 -0.72 -0.26 1.25 -1.93 0.00 0.00 178.83 177.17 1jrp h HIS 204 N -1.11 -0.69 -0.46 3.99 2.76 0.15 0.47 115.15 120.26 1jrp h HIS 204 Ca -0.11 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.03 1jrp h HIS 204 Cb 0.87 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 1jrp h HIS 204 CO -0.04 -0.35 0.03 0.87 -1.30 0.00 0.00 177.93 177.14 1jrp h LYS 205 N -0.37 0.73 -0.43 5.26 1.79 -0.49 -0.80 116.57 122.25 1jrp h LYS 205 Ca 0.08 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 1jrp h LYS 205 Cb 0.48 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1jrp h LYS 205 CO -0.26 0.72 0.06 0.28 -1.08 0.00 0.00 179.45 179.17 1jrp h VAL 206 N 0.69 1.25 -0.10 0.50 2.07 0.22 0.30 116.25 121.18 1jrp h VAL 206 Ca 0.14 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1jrp h VAL 206 Cb 0.38 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1jrp h VAL 206 CO 0.01 0.31 -0.02 0.00 0.02 0.00 0.00 177.57 177.90 1jrp h ALA 207 N 0.93 0.07 -0.58 1.67 0.00 0.36 0.25 119.26 121.96 1jrp h ALA 207 Ca 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jrp h ALA 207 Cb 0.39 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1jrp h ALA 207 CO 0.01 -0.48 0.35 0.45 0.00 0.00 0.00 179.25 179.58 1jrp h HIS 208 N 0.01 0.75 0.00 0.00 -0.00 -1.09 0.33 115.15 115.15 1jrp h HIS 208 Ca 0.05 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1jrp h HIS 208 Cb 0.06 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1jrp h HIS 208 CO -0.14 0.49 -0.13 0.00 -0.00 0.00 0.00 177.93 178.15 1jrp h ALA 209 N 1.60 1.05 -0.00 2.45 0.00 0.14 -2.96 119.26 121.53 1jrp h ALA 209 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jrp h ALA 209 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jrp h ALA 209 CO -0.04 0.17 -0.62 1.28 0.00 0.00 0.00 179.25 180.04 1jrp n LEU 210 N -3.32 1.00 -0.29 0.00 4.77 0.62 -3.92 117.00 115.84 1jrp n LEU 210 Ca -0.00 -0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 55.40 1jrp n LEU 210 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1jrp n LEU 210 CO 0.31 0.22 -0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1jrp n GLY 211 N 1.31 0.62 3.21 -0.72 0.00 0.93 -4.93 105.19 105.60 1jrp n GLY 211 Ca 0.04 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1jrp n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jrp s LEU 212 N -0.60 2.18 0.78 0.99 1.43 -0.70 -5.04 118.68 117.72 1jrp s LEU 212 Ca 0.01 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 1jrp s LEU 212 Cb -0.00 -0.83 0.07 0.00 0.03 0.00 0.00 46.19 45.45 1jrp s LEU 212 CO 0.01 0.11 1.16 0.00 0.23 0.00 0.00 176.35 177.85 1jrp s ALA 213 N -0.84 2.00 0.28 4.21 0.00 -1.26 -4.43 121.76 121.72 1jrp s ALA 213 Ca 0.05 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.67 1jrp s ALA 213 Cb -0.09 -3.41 0.58 0.00 0.00 0.00 0.00 23.12 20.21 1jrp s ALA 213 CO 0.02 -2.04 1.80 0.74 0.00 0.00 0.00 175.76 176.28 1jrp h PHE 214 N -0.86 1.01 0.00 0.00 -1.00 -1.94 -0.10 116.94 114.05 1jrp h PHE 214 Ca -0.45 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.36 1jrp h PHE 214 Cb 1.27 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.52 1jrp h PHE 214 CO 0.51 0.32 0.03 -2.39 -1.61 0.00 0.00 178.31 175.17 1jrp n HIS 215 N -4.73 0.42 -0.12 -0.55 1.44 -1.26 -0.47 115.22 109.95 1jrp n HIS 215 Ca 0.19 0.22 0.06 0.00 -2.01 0.00 0.00 57.72 56.18 1jrp n HIS 215 Cb 0.42 -0.83 0.27 0.00 0.12 0.00 0.00 29.99 29.97 1jrp n HIS 215 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1jrp n ASP 216 N -1.93 3.84 -3.79 4.39 8.00 -0.05 -4.85 116.55 122.17 1jrp n ASP 216 Ca -0.01 -2.44 -0.19 0.00 0.71 0.00 0.00 54.79 52.86 1jrp n ASP 216 Cb 0.05 -0.54 -0.17 0.00 -0.02 0.00 0.00 41.12 40.44 1jrp n ASP 216 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jrp s VAL 217 N -1.93 0.22 -0.10 2.53 1.01 0.38 -2.02 120.40 120.49 1jrp s VAL 217 Ca 0.37 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1jrp s VAL 217 Cb 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 36.29 1jrp s VAL 217 CO 0.15 0.18 -0.24 -0.60 0.00 0.00 0.00 175.10 174.60 1jrp s ARG 218 N 1.39 2.97 -0.07 2.72 3.52 -0.69 -4.95 118.95 123.84 1jrp s ARG 218 Ca -0.05 -0.87 0.05 0.00 -0.13 0.00 0.00 55.73 54.74 1jrp s ARG 218 Cb -0.13 -2.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.99 1jrp s ARG 218 CO -0.02 0.19 -0.21 0.08 -0.81 0.00 0.00 175.30 174.52 1jrp s VAL 219 N 0.31 2.37 -0.03 7.11 1.01 -1.26 -0.41 120.40 129.50 1jrp s VAL 219 Ca -0.18 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 60.90 1jrp s VAL 219 Cb -0.18 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1jrp s VAL 219 CO 0.08 0.57 -0.16 -1.61 0.00 0.00 0.00 175.10 173.98 1jrp s GLU 220 N -0.17 1.61 -0.22 2.72 2.02 -0.76 -2.09 118.70 121.80 1jrp s GLU 220 Ca -0.02 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 1jrp s GLU 220 Cb -0.14 -1.44 0.08 0.00 0.10 0.00 0.00 34.13 32.74 1jrp s GLU 220 CO 0.04 0.26 0.15 1.41 0.02 0.00 0.00 175.26 177.13 1jrp s MET 221 N -0.04 0.15 0.03 1.61 -2.45 0.88 -3.29 119.30 116.18 1jrp s MET 221 Ca -0.02 -0.14 -0.17 0.00 -1.25 0.00 0.00 55.69 54.11 1jrp s MET 221 Cb -0.10 -1.41 -0.25 0.00 1.25 0.00 0.00 34.83 34.31 1jrp s MET 221 CO 0.01 -0.79 1.10 -0.09 1.05 0.00 0.00 175.02 176.31 1jrp h ARG 222 N 8.38 0.53 -1.81 4.11 9.65 -1.85 -2.42 114.38 130.97 1jrp h ARG 222 Ca -0.17 -0.62 0.00 0.00 -1.10 0.00 0.00 59.98 58.09 1jrp h ARG 222 Cb 1.11 0.19 -0.21 0.00 -1.39 0.00 0.00 29.97 29.66 1jrp h ARG 222 CO 0.33 1.24 0.33 -0.98 2.80 0.00 0.00 179.97 183.69 1jrp s ARG 223 N -3.11 0.82 -0.06 0.20 1.70 -1.26 -4.59 118.95 112.64 1jrp s ARG 223 Ca -0.11 0.35 0.03 0.00 -0.47 0.00 0.00 55.73 55.53 1jrp s ARG 223 Cb 0.05 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1jrp s ARG 223 CO 0.88 -0.22 -0.15 -1.64 -1.08 0.00 0.00 175.30 173.08 1jrp s MET 224 N -0.82 2.60 -1.10 3.89 -1.94 0.38 -4.71 119.30 117.61 1jrp s MET 224 Ca -0.05 -0.72 -0.08 0.00 -1.71 0.00 0.00 55.69 53.13 1jrp s MET 224 Cb -0.01 -2.38 -0.06 0.00 2.01 0.00 0.00 34.83 34.38 1jrp s MET 224 CO 0.04 0.56 2.31 0.41 -0.01 0.00 0.00 175.02 178.33 1jrp n GLY 225 N 2.50 3.39 0.00 -0.03 0.00 -1.26 -4.17 105.19 105.63 1jrp n GLY 225 Ca -0.17 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1jrp n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrp n GLY 226 N 3.77 1.27 1.77 -0.02 0.00 -1.22 -2.24 105.19 108.52 1jrp n GLY 226 Ca 0.53 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1jrp n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrp n GLY 227 N 1.39 -0.51 2.05 -0.02 0.00 -1.26 -4.75 105.19 102.09 1jrp n GLY 227 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1jrp n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jrp n PHE 228 N -2.39 -0.57 0.00 1.61 3.01 -1.26 0.22 117.46 118.09 1jrp n PHE 228 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1jrp n PHE 228 Cb 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 39.48 36.91 1jrp n PHE 228 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jrp n GLY 229 N -0.34 2.39 0.00 1.37 0.00 -1.26 -0.54 105.19 106.81 1jrp n GLY 229 Ca -0.13 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.74 1jrp n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrp n GLY 230 N 0.00 -0.54 0.08 -0.02 0.00 0.60 -1.15 105.19 104.16 1jrp n GLY 230 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1jrp n GLY 230 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrp n LYS 231 N -1.48 1.60 0.25 1.61 5.02 -1.22 -4.26 118.16 119.69 1jrp n LYS 231 Ca 0.00 -2.42 0.16 0.00 -2.02 0.00 0.00 58.31 54.04 1jrp n LYS 231 Cb 0.02 -1.43 0.64 0.00 -0.02 0.00 0.00 35.03 34.24 1jrp n LYS 231 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1jrp h GLU 232 N 0.06 0.00 0.00 1.97 4.81 -1.47 0.30 114.58 120.25 1jrp h GLU 232 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jrp h GLU 232 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1jrp h GLU 232 CO 0.01 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.16 1jrp n SER 233 N -2.95 0.00 -0.89 1.04 3.41 -1.26 -4.64 113.62 108.33 1jrp n SER 233 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1jrp n SER 233 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1jrp n SER 233 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jrp n GLN 234 N -0.74 0.69 0.04 4.33 1.13 -1.26 -1.50 117.38 120.06 1jrp n GLN 234 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 1jrp n GLN 234 Cb 0.00 -1.20 -0.08 0.00 0.11 0.00 0.00 30.24 29.08 1jrp n GLN 234 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jrp n GLY 235 N 0.54 -1.22 0.35 1.08 0.00 -1.26 -4.52 105.19 100.17 1jrp n GLY 235 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 1jrp n GLY 235 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jrp h ASN 236 N 0.00 -1.17 -0.75 1.61 -0.26 -1.59 -0.62 115.58 112.79 1jrp h ASN 236 Ca -0.15 0.24 0.07 0.00 -0.56 0.00 0.00 56.30 55.90 1jrp h ASN 236 Cb 1.52 0.60 -0.06 0.00 -1.06 0.00 0.00 38.32 39.32 1jrp h ASN 236 CO 0.04 -0.30 0.43 0.45 -1.06 0.00 0.00 177.43 176.99 1jrp h HIS 237 N -0.12 0.79 -0.58 1.19 3.86 -1.80 0.11 115.15 118.60 1jrp h HIS 237 Ca 0.26 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1jrp h HIS 237 Cb 0.56 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1jrp h HIS 237 CO -0.68 0.37 0.28 -0.07 0.86 0.00 0.00 177.93 178.69 1jrp h LEU 238 N 0.77 0.76 -0.52 2.43 4.07 -1.40 -1.31 115.31 120.11 1jrp h LEU 238 Ca 0.34 -0.13 -0.12 0.00 0.08 0.00 0.00 57.88 58.05 1jrp h LEU 238 Cb 0.23 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1jrp h LEU 238 CO -0.20 0.67 -0.13 0.00 -1.08 0.00 0.00 178.44 177.70 1jrp h ALA 239 N 1.11 0.72 -0.15 1.53 0.00 -0.91 0.57 119.26 122.12 1jrp h ALA 239 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jrp h ALA 239 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jrp h ALA 239 CO -0.03 0.65 0.07 0.82 0.00 0.00 0.00 179.25 180.77 1jrp h ILE 240 N 0.88 1.12 -0.98 0.00 2.04 -0.57 0.72 117.51 120.73 1jrp h ILE 240 Ca 0.13 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1jrp h ILE 240 Cb 0.71 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1jrp h ILE 240 CO 0.05 0.11 0.62 0.00 0.00 0.00 0.00 178.15 178.94 1jrp h ALA 241 N 0.95 1.26 -0.34 1.87 0.00 -0.81 0.64 119.26 122.82 1jrp h ALA 241 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jrp h ALA 241 Cb 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1jrp h ALA 241 CO -0.01 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.93 1jrp h ALA 243 N 0.88 0.03 -0.11 0.00 0.00 0.36 -1.16 119.26 119.26 1jrp h ALA 243 Ca 0.10 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jrp h ALA 243 Cb 0.40 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1jrp h ALA 243 CO 0.01 -0.39 -0.49 0.28 0.00 0.00 0.00 179.25 178.66 1jrp h VAL 244 N -0.11 0.06 -0.77 0.00 2.07 0.23 0.63 116.25 118.36 1jrp h VAL 244 Ca 0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.67 1jrp h VAL 244 Cb 0.15 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.93 1jrp h VAL 244 CO -0.00 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.10 1jrp h ALA 245 N -0.13 2.03 0.17 1.67 0.00 -1.03 -0.97 119.26 121.01 1jrp h ALA 245 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jrp h ALA 245 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jrp h ALA 245 CO -0.41 -0.23 -0.08 0.00 0.00 0.00 0.00 179.25 178.53 1jrp h ALA 246 N 1.64 -0.23 -1.17 0.00 0.00 0.07 -0.01 119.26 119.56 1jrp h ALA 246 Ca 0.38 -0.20 0.37 0.00 0.00 0.00 0.00 54.91 55.46 1jrp h ALA 246 Cb 0.77 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1jrp h ALA 246 CO -0.13 -0.43 0.74 -0.09 0.00 0.00 0.00 179.25 179.34 1jrp h ARG 247 N -0.64 0.20 0.00 0.00 2.43 0.31 -0.07 114.38 116.61 1jrp h ARG 247 Ca -0.02 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1jrp h ARG 247 Cb 0.47 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1jrp h ARG 247 CO 0.04 0.13 -0.44 0.00 -1.51 0.00 0.00 179.97 178.19 1jrp h ALA 248 N 1.67 0.08 0.00 2.80 0.00 -0.74 -3.35 119.26 119.72 1jrp h ALA 248 Ca 0.74 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jrp h ALA 248 Cb 2.11 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1jrp h ALA 248 CO -0.43 0.26 0.00 1.79 0.00 0.00 0.00 179.25 180.87 1jrp h THR 249 N -1.00 0.00 0.00 0.00 1.35 -0.72 -3.46 112.91 109.08 1jrp h THR 249 Ca -0.11 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1jrp h THR 249 Cb 0.95 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1jrp h THR 249 CO -0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 1jrp n GLY 250 N 0.84 0.91 3.14 5.82 0.00 -0.07 -5.02 105.19 110.82 1jrp n GLY 250 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1jrp n GLY 250 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jrp s ARG 251 N -0.31 0.90 0.46 1.61 1.70 -1.22 -4.97 118.95 117.12 1jrp s ARG 251 Ca 0.00 -1.42 -0.24 0.00 -0.47 0.00 0.00 55.73 53.60 1jrp s ARG 251 Cb 0.00 0.24 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 1jrp s ARG 251 CO 0.00 -0.24 1.18 -2.30 -1.08 0.00 0.00 175.30 172.85 1jrp n PRO 252 N -0.07 1.63 -4.05 3.89 -0.02 -1.26 -4.44 135.00 130.68 1jrp n PRO 252 Ca -0.06 0.59 -0.21 0.00 -2.02 0.00 0.00 63.50 61.80 1jrp n PRO 252 Cb 0.63 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 1jrp n PRO 252 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jrp s LYS 254 N 1.19 2.62 -0.22 0.00 2.20 -0.35 -2.20 119.74 122.98 1jrp s LYS 254 Ca -0.07 -1.30 -0.15 0.00 -0.36 0.00 0.00 55.97 54.09 1jrp s LYS 254 Cb -0.14 -2.37 0.06 0.00 -1.51 0.00 0.00 37.83 33.88 1jrp s LYS 254 CO -0.02 0.25 0.54 1.41 -0.36 0.00 0.00 175.35 177.18 1jrp s MET 255 N -3.85 0.58 0.03 4.03 1.75 0.16 -2.54 119.30 119.47 1jrp s MET 255 Ca 0.36 0.91 -0.03 0.00 -1.25 0.00 0.00 55.69 55.68 1jrp s MET 255 Cb -0.06 0.15 -0.02 0.00 2.84 0.00 0.00 34.83 37.74 1jrp s MET 255 CO 0.24 -0.13 0.03 -0.98 -0.65 0.00 0.00 175.02 173.53 1jrp s ARG 256 N 1.07 0.50 -0.21 4.11 1.70 -1.26 -1.07 118.95 123.79 1jrp s ARG 256 Ca -0.06 -0.80 -0.09 0.00 -0.47 0.00 0.00 55.73 54.31 1jrp s ARG 256 Cb -0.06 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.46 1jrp s ARG 256 CO -0.10 -0.11 0.11 0.71 -1.08 0.00 0.00 175.30 174.84 1jrp s TYR 257 N -2.47 3.31 0.44 5.89 4.12 -0.95 -4.97 117.35 122.71 1jrp s TYR 257 Ca -0.06 0.17 -0.25 0.00 0.02 0.00 0.00 57.07 56.94 1jrp s TYR 257 Cb -0.02 -2.17 -0.09 0.00 -1.52 0.00 0.00 41.96 38.16 1jrp s TYR 257 CO -0.04 0.14 1.35 -3.47 0.02 0.00 0.00 175.55 173.55 1jrp n ASP 258 N 3.82 2.94 -0.26 2.29 -0.08 -1.26 -4.53 116.55 119.47 1jrp n ASP 258 Ca -0.16 1.11 0.07 0.00 -1.51 0.00 0.00 54.79 54.30 1jrp n ASP 258 Cb 0.52 -1.55 0.20 0.00 2.34 0.00 0.00 41.12 42.63 1jrp n ASP 258 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1jrp h ARG 259 N 2.18 0.27 0.30 -0.67 9.65 -1.97 0.13 114.38 124.27 1jrp h ARG 259 Ca -0.49 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1jrp h ARG 259 Cb 1.28 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 1jrp h ARG 259 CO 0.60 0.18 -0.29 -0.44 2.80 0.00 0.00 179.97 182.82 1jrp h ASP 260 N 0.27 -0.78 -0.39 -3.80 3.45 -1.87 -1.34 116.42 111.97 1jrp h ASP 260 Ca 0.44 0.07 0.08 0.00 0.43 0.00 0.00 57.03 58.05 1jrp h ASP 260 Cb 0.78 0.26 -0.09 0.00 -0.56 0.00 0.00 39.33 39.73 1jrp h ASP 260 CO -0.53 -0.42 -0.31 0.44 -1.57 0.00 0.00 179.24 176.85 1jrp h ASP 261 N -0.62 -1.03 -0.82 6.45 3.32 -1.17 -1.62 116.42 120.93 1jrp h ASP 261 Ca -0.01 0.19 0.17 0.00 0.02 0.00 0.00 57.03 57.39 1jrp h ASP 261 Cb 0.56 0.49 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1jrp h ASP 261 CO -0.05 -0.31 -0.15 -0.78 -1.72 0.00 0.00 179.24 176.22 1jrp h ASP 262 N -0.24 -0.67 0.99 6.45 3.58 -0.11 0.32 116.42 126.74 1jrp h ASP 262 Ca 0.17 0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.78 1jrp h ASP 262 Cb 0.53 0.48 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1jrp h ASP 262 CO -0.52 -0.26 -0.38 0.24 -2.88 0.00 0.00 179.24 175.43 1jrp h MET 263 N 0.02 0.00 0.11 0.28 2.86 -0.33 -2.09 114.93 115.78 1jrp h MET 263 Ca 0.41 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.78 1jrp h MET 263 Cb 0.67 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.35 1jrp h MET 263 CO -0.82 0.38 -1.14 0.28 1.06 0.00 0.00 176.91 176.68 1jrp h VAL 264 N 0.00 1.31 0.05 -2.22 2.07 0.05 -3.38 116.25 114.13 1jrp h VAL 264 Ca -0.00 -2.41 -0.29 0.00 0.82 0.00 0.00 66.70 64.81 1jrp h VAL 264 Cb 0.98 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.44 1jrp h VAL 264 CO 0.05 0.73 -1.56 0.40 0.02 0.00 0.00 177.57 177.21 1jrp h ILE 265 N 0.19 1.07 -2.07 4.57 2.04 -0.82 -3.45 117.51 119.03 1jrp h ILE 265 Ca -0.17 -2.82 -0.44 0.00 1.00 0.00 0.00 64.86 62.43 1jrp h ILE 265 Cb 1.82 2.60 0.05 0.00 -0.74 0.00 0.00 36.82 40.56 1jrp h ILE 265 CO 0.22 0.72 -0.06 0.42 0.00 0.00 0.00 178.15 179.44 1jrp s THR 266 N -2.62 2.59 0.93 -0.27 -4.23 -0.80 -4.77 115.64 106.48 1jrp s THR 266 Ca -0.07 -0.75 -0.15 0.00 -1.18 0.00 0.00 61.69 59.54 1jrp s THR 266 Cb 0.08 -2.84 0.18 0.00 1.34 0.00 0.00 72.50 71.27 1jrp s THR 266 CO 0.83 0.00 1.29 -0.83 -0.54 0.00 0.00 174.62 175.37 1jrp s GLY 267 N -4.49 1.76 0.15 3.99 0.00 -1.26 -4.77 107.32 102.71 1jrp s GLY 267 Ca 0.59 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 44.16 1jrp s GLY 267 CO 0.38 -0.45 0.11 0.28 0.00 0.00 0.00 173.10 173.43 1jrp n LYS 268 N -3.67 0.30 -2.00 2.90 4.01 -1.26 -4.73 118.16 113.72 1jrp n LYS 268 Ca 0.14 -1.50 -0.38 0.00 -0.51 0.00 0.00 58.31 56.07 1jrp n LYS 268 Cb 0.60 1.14 0.02 0.00 -0.51 0.00 0.00 35.03 36.27 1jrp n LYS 268 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1jrp s ARG 269 N -2.62 3.43 -0.26 1.97 3.52 -0.26 -2.28 118.95 122.45 1jrp s ARG 269 Ca 0.16 2.03 -0.29 0.00 -0.13 0.00 0.00 55.73 57.50 1jrp s ARG 269 Cb 0.01 -2.34 -0.02 0.00 -1.56 0.00 0.00 34.95 31.04 1jrp s ARG 269 CO 0.11 -0.89 1.57 -1.01 -0.81 0.00 0.00 175.30 174.27 1jrp s HIS 270 N -1.41 2.18 0.41 5.12 3.76 -1.26 -4.08 115.29 120.01 1jrp s HIS 270 Ca 0.68 0.61 -0.24 0.00 -0.15 0.00 0.00 55.06 55.96 1jrp s HIS 270 Cb -0.35 -4.02 -0.08 0.00 1.11 0.00 0.00 32.58 29.23 1jrp s HIS 270 CO 0.42 -2.67 1.10 0.16 -0.85 0.00 0.00 174.74 172.90 1jrp s ASP 271 N 4.23 6.59 0.27 1.40 -4.77 -1.26 -4.80 116.67 118.33 1jrp s ASP 271 Ca 0.69 2.16 0.05 0.00 -3.30 0.00 0.00 52.55 52.15 1jrp s ASP 271 Cb -0.22 -2.60 -0.06 0.00 -1.09 0.00 0.00 42.92 38.95 1jrp s ASP 271 CO 0.29 -0.62 -0.01 -0.36 0.70 0.00 0.00 175.17 175.17 1jrp s PHE 272 N -1.58 1.83 -0.05 2.11 2.99 0.13 -2.04 117.98 121.36 1jrp s PHE 272 Ca 0.59 -0.83 0.04 0.00 0.00 0.00 0.00 56.93 56.73 1jrp s PHE 272 Cb -0.25 -1.09 -0.00 0.00 0.00 0.00 0.00 43.02 41.68 1jrp s PHE 272 CO 0.31 0.11 -0.17 0.50 -0.00 0.00 0.00 175.22 175.98 1jrp s ARG 273 N -3.81 1.82 -0.04 0.44 3.52 -0.31 -0.02 118.95 120.55 1jrp s ARG 273 Ca 0.31 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 55.35 1jrp s ARG 273 Cb 0.06 -1.56 -0.00 0.00 -1.56 0.00 0.00 34.95 31.88 1jrp s ARG 273 CO 0.12 0.22 -0.16 0.42 -0.81 0.00 0.00 175.30 175.08 1jrp s ILE 274 N 0.11 1.32 -0.13 4.11 1.01 0.00 -1.36 121.20 126.27 1jrp s ILE 274 Ca -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1jrp s ILE 274 Cb -0.12 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1jrp s ILE 274 CO 0.03 0.38 -0.15 -0.60 0.00 0.00 0.00 174.94 174.60 1jrp s ARG 275 N -0.02 2.33 0.15 2.79 3.52 0.00 -0.16 118.95 127.56 1jrp s ARG 275 Ca -0.02 -0.58 0.06 0.00 -0.13 0.00 0.00 55.73 55.06 1jrp s ARG 275 Cb -0.10 -2.06 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 1jrp s ARG 275 CO 0.01 -0.16 -0.13 1.52 -0.81 0.00 0.00 175.30 175.73 1jrp s TYR 276 N 1.25 1.46 -0.12 5.12 -0.85 0.54 -0.07 117.35 124.68 1jrp s TYR 276 Ca -0.00 -0.61 -0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1jrp s TYR 276 Cb -0.14 -0.73 0.04 0.00 0.38 0.00 0.00 41.96 41.51 1jrp s TYR 276 CO -0.07 0.19 0.00 1.03 -1.52 0.00 0.00 175.55 175.18 1jrp s ARG 277 N -3.21 0.79 0.17 -3.49 0.52 0.13 -2.05 118.95 111.81 1jrp s ARG 277 Ca 0.15 -0.16 0.11 0.00 -0.52 0.00 0.00 55.73 55.31 1jrp s ARG 277 Cb -0.02 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.90 1jrp s ARG 277 CO 0.03 -0.42 -0.24 -1.50 0.02 0.00 0.00 175.30 173.19 1jrp s ILE 278 N 1.88 2.24 -0.06 1.52 2.07 0.63 -1.17 121.20 128.31 1jrp s ILE 278 Ca 0.03 -1.94 -0.08 0.00 -1.41 0.00 0.00 60.65 57.25 1jrp s ILE 278 Cb -0.14 -2.04 0.02 0.00 0.13 0.00 0.00 42.46 40.43 1jrp s ILE 278 CO -0.07 -0.10 0.21 -0.83 -1.91 0.00 0.00 174.94 172.25 1jrp s GLY 279 N -2.51 -0.13 0.36 1.50 0.00 -0.69 -0.60 107.32 105.25 1jrp s GLY 279 Ca 0.18 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.40 1jrp s GLY 279 CO 0.08 0.36 0.11 0.00 0.00 0.00 0.00 173.10 173.65 1jrp s ALA 280 N -0.25 2.51 1.46 3.20 0.00 -0.96 0.14 121.76 127.86 1jrp s ALA 280 Ca -0.04 -1.60 -0.24 0.00 0.00 0.00 0.00 51.96 50.08 1jrp s ALA 280 Cb -0.03 0.81 0.38 0.00 0.00 0.00 0.00 23.12 24.28 1jrp s ALA 280 CO 0.01 -0.37 0.90 0.34 0.00 0.00 0.00 175.76 176.65 1jrp s ASP 281 N -3.51 -1.42 0.08 0.00 -1.08 -0.52 -1.34 116.67 108.88 1jrp s ASP 281 Ca 0.30 0.84 -0.09 0.00 -0.52 0.00 0.00 52.55 53.09 1jrp s ASP 281 Cb 0.05 -1.18 -0.24 0.00 -1.46 0.00 0.00 42.92 40.09 1jrp s ASP 281 CO 0.15 -5.58 1.16 0.00 0.52 0.00 0.00 175.17 171.43 1jrp h ALA 282 N -3.57 0.12 0.00 3.66 0.00 -1.94 -3.23 119.26 114.30 1jrp h ALA 282 Ca -0.42 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1jrp h ALA 282 Cb 1.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1jrp h ALA 282 CO 0.26 0.81 0.00 0.66 0.00 0.00 0.00 179.25 180.98 1jrp h SER 283 N 0.19 0.00 0.00 0.00 4.64 -2.04 -3.47 113.55 112.88 1jrp h SER 283 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1jrp h SER 283 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1jrp h SER 283 CO 0.21 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 1jrp n GLY 284 N 0.56 0.95 3.71 -0.77 0.00 -1.22 -5.10 105.19 103.33 1jrp n GLY 284 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1jrp n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrp s LYS 285 N -0.36 4.26 0.36 1.61 -0.14 -1.26 -4.66 119.74 119.55 1jrp s LYS 285 Ca 0.00 2.23 -0.27 0.00 -1.36 0.00 0.00 55.97 56.57 1jrp s LYS 285 Cb 0.00 -3.23 -0.12 0.00 -1.68 0.00 0.00 37.83 32.80 1jrp s LYS 285 CO 0.00 -0.54 1.29 1.28 -0.76 0.00 0.00 175.35 176.62 1jrp n LEU 286 N 4.10 3.70 -0.09 3.17 4.77 -1.26 -1.45 117.00 129.94 1jrp n LEU 286 Ca 0.13 1.19 -0.10 0.00 -0.03 0.00 0.00 56.01 57.20 1jrp n LEU 286 Cb 0.40 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 39.87 1jrp n LEU 286 CO 0.60 -0.50 -1.11 0.18 -1.33 0.00 0.00 177.39 175.24 1jrp n LEU 287 N 0.63 0.59 0.00 2.23 4.77 0.36 -4.47 117.00 121.12 1jrp n LEU 287 Ca 0.05 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1jrp n LEU 287 Cb 0.37 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1jrp n LEU 287 CO 0.62 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1jrp n GLY 288 N 2.01 0.68 3.22 -0.72 0.00 -1.09 -3.51 105.19 105.78 1jrp n GLY 288 Ca -0.31 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1jrp n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrp s ALA 289 N -2.00 -0.82 -0.10 4.61 0.00 -0.12 -1.71 121.76 121.62 1jrp s ALA 289 Ca 0.00 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 1jrp s ALA 289 Cb 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1jrp s ALA 289 CO 0.00 -0.16 -0.07 0.34 0.00 0.00 0.00 175.76 175.87 1jrp s ASP 290 N 0.11 2.05 -0.02 0.00 2.15 -0.32 -2.49 116.67 118.15 1jrp s ASP 290 Ca -0.01 -0.28 0.07 0.00 0.43 0.00 0.00 52.55 52.77 1jrp s ASP 290 Cb -0.02 -0.79 -0.02 0.00 -0.30 0.00 0.00 42.92 41.79 1jrp s ASP 290 CO 0.01 -0.11 -0.23 -0.36 -0.17 0.00 0.00 175.17 174.31 1jrp s PHE 291 N 1.61 2.06 -0.09 -5.34 0.40 -0.76 -0.69 117.98 115.16 1jrp s PHE 291 Ca 0.03 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1jrp s PHE 291 Cb -0.13 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.09 1jrp s PHE 291 CO -0.07 -0.04 -0.16 0.08 0.70 0.00 0.00 175.22 175.74 1jrp s VAL 292 N -0.54 1.48 -0.20 -0.44 1.01 0.90 -0.98 120.40 121.64 1jrp s VAL 292 Ca 0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1jrp s VAL 292 Cb -0.09 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1jrp s VAL 292 CO -0.01 0.43 -0.02 -1.00 0.00 0.00 0.00 175.10 174.51 1jrp s HIS 293 N 0.72 3.00 -0.14 5.22 3.76 0.38 -0.82 115.29 127.43 1jrp s HIS 293 Ca -0.12 -0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 54.20 1jrp s HIS 293 Cb -0.16 -2.07 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 1jrp s HIS 293 CO 0.03 -0.30 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.04 1jrp s LEU 294 N 1.03 3.09 -0.05 0.89 1.43 -0.46 -1.30 118.68 123.30 1jrp s LEU 294 Ca 0.01 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1jrp s LEU 294 Cb -0.14 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1jrp s LEU 294 CO 0.01 0.19 -0.08 0.00 0.23 0.00 0.00 176.35 176.70 1jrp s ALA 295 N 0.21 0.92 -0.58 4.21 0.00 -0.91 -1.16 121.76 124.44 1jrp s ALA 295 Ca -0.04 -0.23 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 1jrp s ALA 295 Cb -0.14 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.59 1jrp s ALA 295 CO 0.04 0.07 0.89 0.50 0.00 0.00 0.00 175.76 177.25 1jrp s ARG 296 N 0.67 3.20 0.00 0.00 3.00 -0.87 -0.29 118.95 124.67 1jrp s ARG 296 Ca -0.11 -0.62 0.22 0.00 -1.00 0.00 0.00 55.73 54.21 1jrp s ARG 296 Cb -0.14 -4.13 -0.20 0.00 0.00 0.00 0.00 34.95 30.47 1jrp s ARG 296 CO 0.02 -1.56 0.79 0.00 0.00 0.00 0.00 175.30 174.54 1jrp n GLY 298 N 1.39 -2.79 0.12 0.00 0.00 -1.25 -0.89 105.19 101.76 1jrp n GLY 298 Ca 0.01 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.21 1jrp n GLY 298 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1jrp n TRP 299 N -0.09 0.00 -4.02 1.61 4.27 -0.55 -2.24 117.44 116.41 1jrp n TRP 299 Ca 0.00 -0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.50 1jrp n TRP 299 Cb 0.00 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.90 1jrp n TRP 299 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 1jrp s SER 300 N -1.98 0.14 0.18 -0.67 1.04 -1.26 -4.92 113.70 106.23 1jrp s SER 300 Ca 0.45 -1.09 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 1jrp s SER 300 Cb 0.21 0.60 0.06 0.00 0.10 0.00 0.00 66.02 67.00 1jrp s SER 300 CO 0.35 -1.18 1.56 0.00 0.98 0.00 0.00 173.24 174.95 1jrp h ALA 301 N 2.23 0.73 0.00 5.32 0.00 -1.88 -3.45 119.26 122.22 1jrp h ALA 301 Ca -0.27 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1jrp h ALA 301 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1jrp h ALA 301 CO 0.37 0.66 0.00 -3.47 0.00 0.00 0.00 179.25 176.82 1jrp n ASP 302 N -4.10 0.00 -1.91 0.00 -0.08 -1.26 -1.17 116.55 108.04 1jrp n ASP 302 Ca -0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jrp n ASP 302 Cb 0.47 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.28 1jrp n ASP 302 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1jrp n LEU 303 N 0.00 5.86 -0.33 -2.67 4.77 -1.26 -4.51 117.00 118.87 1jrp n LEU 303 Ca 0.00 -3.11 0.09 0.00 -0.03 0.00 0.00 56.01 52.96 1jrp n LEU 303 Cb 0.00 -0.71 0.26 0.00 -2.33 0.00 0.00 43.42 40.64 1jrp n LEU 303 CO 0.00 0.74 1.15 0.28 -1.33 0.00 0.00 177.39 178.23 1jrp h SER 304 N 3.16 0.68 0.20 -1.43 0.02 -1.38 -0.79 113.55 114.00 1jrp h SER 304 Ca 0.15 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1jrp h SER 304 Cb 2.16 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 64.63 1jrp h SER 304 CO 0.62 0.28 -0.40 0.25 -1.14 0.00 0.00 176.83 176.44 1jrp h LEU 305 N 0.73 -1.15 -0.76 5.07 6.46 -1.79 -0.13 115.31 123.72 1jrp h LEU 305 Ca 0.51 0.12 -0.12 0.00 -0.12 0.00 0.00 57.88 58.27 1jrp h LEU 305 Cb 0.73 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1jrp h LEU 305 CO -0.36 -0.50 -0.35 -0.65 -0.62 0.00 0.00 178.44 175.97 1jrp h PRO 306 N -0.68 0.54 0.66 5.25 0.11 -1.82 -2.50 132.00 133.56 1jrp h PRO 306 Ca 0.01 -0.25 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 1jrp h PRO 306 Cb 0.68 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.79 1jrp h PRO 306 CO -0.19 0.81 -0.32 0.28 -0.21 0.00 0.00 178.00 178.38 1jrp h VAL 307 N 0.46 0.29 -0.79 3.15 2.07 -0.06 0.25 116.25 121.61 1jrp h VAL 307 Ca 0.05 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.54 1jrp h VAL 307 Cb 0.82 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 1jrp h VAL 307 CO 0.07 0.02 0.38 0.00 0.02 0.00 0.00 177.57 178.06 1jrp h ASP 309 N 0.57 -0.10 0.20 0.00 3.32 -0.76 0.13 116.42 119.78 1jrp h ASP 309 Ca 0.42 0.22 -0.12 0.00 0.02 0.00 0.00 57.03 57.57 1jrp h ASP 309 Cb 0.58 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1jrp h ASP 309 CO -0.35 -0.21 -0.46 -0.09 -1.72 0.00 0.00 179.24 176.40 1jrp h ARG 310 N 0.15 0.31 -0.29 3.56 2.43 0.63 -0.21 114.38 120.96 1jrp h ARG 310 Ca 0.57 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1jrp h ARG 310 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1jrp h ARG 310 CO -0.72 0.72 -0.22 0.00 -1.51 0.00 0.00 179.97 178.24 1jrp h ALA 311 N 1.26 0.42 -0.65 2.80 0.00 0.23 0.13 119.26 123.45 1jrp h ALA 311 Ca 0.02 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1jrp h ALA 311 Cb 0.92 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1jrp h ALA 311 CO 0.08 0.38 0.37 0.52 0.00 0.00 0.00 179.25 180.59 1jrp h MET 312 N 0.41 0.67 -0.17 0.00 2.86 -0.83 0.29 114.93 118.16 1jrp h MET 312 Ca 0.05 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1jrp h MET 312 Cb 0.77 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1jrp h MET 312 CO 0.06 0.44 0.19 1.25 1.06 0.00 0.00 176.91 179.91 1jrp h LEU 313 N 0.69 0.00 -2.97 1.22 5.85 0.51 -1.56 115.31 119.05 1jrp h LEU 313 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1jrp h LEU 313 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1jrp h LEU 313 CO -0.16 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.35 1jrp n HIS 314 N -3.86 0.68 0.32 1.25 8.25 0.96 -4.58 115.22 118.24 1jrp n HIS 314 Ca 0.01 -0.58 0.03 0.00 -0.26 0.00 0.00 57.72 56.92 1jrp n HIS 314 Cb 0.31 -0.10 0.17 0.00 1.12 0.00 0.00 29.99 31.49 1jrp n HIS 314 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jrp n ALA 315 N 0.46 1.53 1.11 -1.41 0.00 -0.59 -0.25 120.51 121.36 1jrp n ALA 315 Ca 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1jrp n ALA 315 Cb 0.57 -1.10 0.17 0.00 0.00 0.00 0.00 19.45 19.09 1jrp n ALA 315 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jrp n ASP 316 N -1.23 1.39 0.00 0.00 5.75 -1.26 -4.43 116.55 116.77 1jrp n ASP 316 Ca 0.03 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1jrp n ASP 316 Cb 0.04 0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1jrp n ASP 316 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jrp n GLY 317 N 1.40 2.72 1.75 6.12 0.00 0.66 0.92 105.19 118.76 1jrp n GLY 317 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1jrp n GLY 317 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jrp n SER 318 N 1.65 4.29 -4.35 1.61 7.64 -1.26 -4.76 113.62 118.45 1jrp n SER 318 Ca 0.00 -2.95 -0.21 0.00 1.01 0.00 0.00 58.87 56.72 1jrp n SER 318 Cb 0.00 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.40 1jrp n SER 318 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1jrp s TYR 319 N -2.48 1.82 0.17 1.43 1.51 0.26 -3.62 117.35 116.44 1jrp s TYR 319 Ca 0.44 -0.49 -0.23 0.00 -1.01 0.00 0.00 57.07 55.77 1jrp s TYR 319 Cb 0.35 -0.87 -0.08 0.00 -0.11 0.00 0.00 41.96 41.25 1jrp s TYR 319 CO 0.11 0.37 0.74 0.12 -1.11 0.00 0.00 175.55 175.79 1jrp s PHE 320 N -2.42 3.83 -0.15 2.71 5.36 -0.82 -4.85 117.98 121.64 1jrp s PHE 320 Ca 0.19 1.54 -0.04 0.00 -0.96 0.00 0.00 56.93 57.66 1jrp s PHE 320 Cb -0.04 -2.70 0.07 0.00 -0.34 0.00 0.00 43.02 40.01 1jrp s PHE 320 CO 0.07 0.48 0.15 0.08 -1.46 0.00 0.00 175.22 174.54 1jrp s VAL 321 N -1.24 -0.21 0.49 3.12 1.01 -1.26 -4.79 120.40 117.52 1jrp s VAL 321 Ca 0.37 0.01 0.13 0.00 0.00 0.00 0.00 61.98 62.49 1jrp s VAL 321 Cb -0.21 -0.52 0.27 0.00 0.00 0.00 0.00 36.38 35.92 1jrp s VAL 321 CO 0.24 -0.13 2.12 -0.65 0.00 0.00 0.00 175.10 176.68 1jrp h PRO 322 N 8.37 0.16 -3.66 2.72 0.11 -1.78 -3.40 132.00 134.52 1jrp h PRO 322 Ca -0.15 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.73 1jrp h PRO 322 Cb 1.14 -0.04 -0.28 0.00 0.11 0.00 0.00 31.00 31.94 1jrp h PRO 322 CO 0.25 0.11 -0.68 0.00 -0.21 0.00 0.00 178.00 177.46 1jrp s ALA 323 N -5.19 -0.07 -0.28 -0.75 0.00 -1.23 -4.53 121.76 109.71 1jrp s ALA 323 Ca -0.06 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.77 1jrp s ALA 323 Cb 0.17 -0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.33 1jrp s ALA 323 CO 0.69 -0.02 0.73 -1.17 0.00 0.00 0.00 175.76 175.99 1jrp s LEU 324 N -0.03 -0.84 0.04 0.00 0.20 -0.30 -0.94 118.68 116.81 1jrp s LEU 324 Ca -0.00 1.44 0.06 0.00 0.69 0.00 0.00 54.13 56.32 1jrp s LEU 324 Cb -0.00 2.37 -0.02 0.00 -0.43 0.00 0.00 46.19 48.10 1jrp s LEU 324 CO 0.00 -0.24 -0.17 -0.60 -0.29 0.00 0.00 176.35 175.05 1jrp s ARG 325 N 1.12 1.16 0.01 1.98 3.52 -1.04 -0.48 118.95 125.23 1jrp s ARG 325 Ca -0.06 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.70 1jrp s ARG 325 Cb -0.05 -1.23 -0.01 0.00 -1.56 0.00 0.00 34.95 32.10 1jrp s ARG 325 CO -0.12 0.31 -0.04 0.42 -0.81 0.00 0.00 175.30 175.07 1jrp s ILE 326 N -0.82 0.25 -0.16 4.11 1.01 0.10 -1.83 121.20 123.86 1jrp s ILE 326 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1jrp s ILE 326 Cb -0.08 -0.26 0.04 0.00 0.01 0.00 0.00 42.46 42.17 1jrp s ILE 326 CO 0.02 -0.07 -0.08 -0.70 0.00 0.00 0.00 174.94 174.11 1jrp s GLU 327 N -0.44 1.69 -0.24 2.79 2.12 -0.15 -2.10 118.70 122.37 1jrp s GLU 327 Ca -0.03 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.80 1jrp s GLU 327 Cb -0.03 -2.01 0.06 0.00 0.26 0.00 0.00 34.13 32.40 1jrp s GLU 327 CO -0.00 -0.37 -0.10 0.45 -0.54 0.00 0.00 175.26 174.70 1jrp s SER 328 N 1.58 4.11 -0.18 -1.70 0.15 0.18 -0.47 113.70 117.39 1jrp s SER 328 Ca 0.02 -1.24 -0.07 0.00 0.70 0.00 0.00 55.95 55.36 1jrp s SER 328 Cb -0.14 -1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 1jrp s SER 328 CO -0.08 -0.18 0.06 -1.00 1.20 0.00 0.00 173.24 173.23 1jrp s HIS 329 N 1.21 3.25 -0.44 3.44 3.76 -0.42 -0.12 115.29 125.97 1jrp s HIS 329 Ca -0.06 0.08 -0.07 0.00 -0.15 0.00 0.00 55.06 54.86 1jrp s HIS 329 Cb -0.19 -2.06 0.11 0.00 1.11 0.00 0.00 32.58 31.56 1jrp s HIS 329 CO -0.06 0.18 0.28 1.03 -0.85 0.00 0.00 174.74 175.32 1jrp s ARG 330 N 0.28 2.28 0.09 1.40 1.81 -1.26 -2.13 118.95 121.42 1jrp s ARG 330 Ca 0.03 -1.78 -0.23 0.00 -1.72 0.00 0.00 55.73 52.03 1jrp s ARG 330 Cb -0.12 -3.78 -0.07 0.00 -0.45 0.00 0.00 34.95 30.53 1jrp s ARG 330 CO 0.00 -1.14 0.70 -0.51 -0.68 0.00 0.00 175.30 173.68 1jrp s LEU 331 N 1.27 4.52 0.03 2.53 1.43 0.61 -0.69 118.68 128.38 1jrp s LEU 331 Ca 0.07 1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 54.43 1jrp s LEU 331 Cb -0.25 -3.14 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 1jrp s LEU 331 CO -0.02 0.16 0.51 -0.60 0.23 0.00 0.00 176.35 176.63 1jrp s ARG 332 N -0.73 4.13 0.17 1.70 3.52 -0.07 -1.13 118.95 126.55 1jrp s ARG 332 Ca 0.34 0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 56.42 1jrp s ARG 332 Cb -0.21 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1jrp s ARG 332 CO 0.23 0.59 0.39 0.95 -0.81 0.00 0.00 175.30 176.65 1jrp s THR 333 N -0.88 0.06 -0.43 4.11 -4.23 -0.95 -4.68 115.64 108.63 1jrp s THR 333 Ca 0.27 -1.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 1jrp s THR 333 Cb -0.18 -1.61 -0.07 0.00 1.34 0.00 0.00 72.50 71.98 1jrp s THR 333 CO 0.16 -0.26 3.08 0.59 -0.54 0.00 0.00 174.62 177.66 1jrp n ASN 334 N -0.25 6.29 -2.94 3.99 4.13 -0.01 -1.49 115.26 124.97 1jrp n ASN 334 Ca -0.10 -2.88 -0.16 0.00 1.68 0.00 0.00 54.58 53.11 1jrp n ASN 334 Cb 0.63 -1.34 -0.05 0.00 -1.54 0.00 0.00 39.78 37.48 1jrp n ASN 334 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1jrp n THR 335 N 1.75 0.00 -1.59 3.41 -2.24 -1.26 -4.41 114.28 109.94 1jrp n THR 335 Ca 0.50 -1.66 -0.46 0.00 -2.27 0.00 0.00 64.05 60.16 1jrp n THR 335 Cb 0.64 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 1jrp n THR 335 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jrp n GLN 336 N -0.57 1.32 -2.14 -0.78 3.00 -1.26 -1.50 117.38 115.44 1jrp n GLN 336 Ca -0.01 0.46 -0.38 0.00 -0.01 0.00 0.00 57.00 57.07 1jrp n GLN 336 Cb 0.42 -1.88 -0.03 0.00 0.00 0.00 0.00 30.24 28.75 1jrp n GLN 336 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1jrp s SER 337 N -0.35 5.45 1.02 1.08 0.15 -1.26 -4.00 113.70 115.78 1jrp s SER 337 Ca 0.63 0.04 -0.13 0.00 0.70 0.00 0.00 55.95 57.20 1jrp s SER 337 Cb -0.74 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.18 1jrp s SER 337 CO 0.57 -2.30 0.78 0.59 1.20 0.00 0.00 173.24 174.08 1jrp n ASN 338 N 12.19 -1.15 0.00 5.45 3.02 -0.06 -4.01 115.26 130.70 1jrp n ASN 338 Ca 0.20 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1jrp n ASN 338 Cb 0.51 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 1jrp n ASN 338 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1jrp n THR 339 N -4.31 0.00 -2.19 3.41 5.66 -0.96 -4.15 114.28 111.74 1jrp n THR 339 Ca 0.07 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.75 1jrp n THR 339 Cb 0.54 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.31 1jrp n THR 339 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jrp s ALA 340 N -1.00 2.89 -0.30 1.79 0.00 -1.26 -4.51 121.76 119.36 1jrp s ALA 340 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 1jrp s ALA 340 Cb 0.00 -3.18 0.15 0.00 0.00 0.00 0.00 23.12 20.09 1jrp s ALA 340 CO 0.00 -0.57 0.73 0.12 0.00 0.00 0.00 175.76 176.04 1jrp s PHE 341 N -2.55 -1.23 0.00 0.00 5.99 -1.25 -3.51 117.98 115.43 1jrp s PHE 341 Ca 0.61 1.87 0.00 0.00 0.00 0.00 0.00 56.93 59.41 1jrp s PHE 341 Cb -0.13 0.64 0.00 0.00 0.00 0.00 0.00 43.02 43.53 1jrp s PHE 341 CO 0.35 -0.63 0.00 -2.13 -0.00 0.00 0.00 175.22 172.81 1jrp n ARG 342 N 5.36 0.00 0.00 10.12 0.63 0.29 0.28 116.66 133.34 1jrp n ARG 342 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1jrp n ARG 342 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1jrp n ARG 342 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jrp n GLY 343 N 0.00 4.01 3.85 5.14 0.00 -1.26 -4.92 105.19 112.02 1jrp n GLY 343 Ca 0.00 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1jrp n GLY 343 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jrp n PHE 344 N 0.00 -1.69 0.00 1.61 7.35 0.14 -1.16 117.46 123.72 1jrp n PHE 344 Ca 0.00 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 1jrp n PHE 344 Cb 0.00 -3.19 0.00 0.00 0.35 0.00 0.00 39.48 36.64 1jrp n PHE 344 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jrp n GLY 345 N -1.87 3.02 0.26 7.13 0.00 -1.26 -4.60 105.19 107.87 1jrp n GLY 345 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1jrp n GLY 345 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jrp h GLY 346 N 0.00 -0.43 0.58 -0.02 0.00 -1.39 -0.03 103.07 101.79 1jrp h GLY 346 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1jrp h GLY 346 CO 0.00 -0.20 -0.06 -2.55 0.00 0.00 0.00 176.54 173.73 1jrp h PRO 347 N -0.43 -0.02 -0.04 4.80 0.11 -1.88 0.80 132.00 135.33 1jrp h PRO 347 Ca 0.02 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1jrp h PRO 347 Cb 0.44 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.50 1jrp h PRO 347 CO -0.10 -0.01 -0.35 1.96 -0.21 0.00 0.00 178.00 179.28 1jrp h GLN 348 N -0.02 -0.47 -0.99 1.05 7.50 -1.74 1.19 115.11 121.62 1jrp h GLN 348 Ca 0.10 0.03 0.18 0.00 0.50 0.00 0.00 58.65 59.46 1jrp h GLN 348 Cb 0.17 0.11 -0.11 0.00 0.05 0.00 0.00 27.48 27.70 1jrp h GLN 348 CO -0.21 -0.31 0.60 0.78 -1.50 0.00 0.00 178.83 178.19 1jrp h GLY 349 N -0.48 1.76 1.52 3.46 0.00 -0.20 -0.95 103.07 108.18 1jrp h GLY 349 Ca 0.07 -0.36 -0.21 0.00 0.00 0.00 0.00 47.33 46.83 1jrp h GLY 349 CO -0.31 -0.06 -0.87 0.00 0.00 0.00 0.00 176.54 175.30 1jrp h ALA 350 N 1.64 0.42 -0.40 3.60 0.00 0.24 -2.34 119.26 122.43 1jrp h ALA 350 Ca 0.57 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1jrp h ALA 350 Cb 0.87 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1jrp h ALA 350 CO -0.38 0.79 0.13 1.25 0.00 0.00 0.00 179.25 181.04 1jrp h LEU 351 N 0.27 0.57 -0.60 0.00 5.85 0.24 0.47 115.31 122.11 1jrp h LEU 351 Ca -0.06 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1jrp h LEU 351 Cb 1.49 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1jrp h LEU 351 CO 0.15 0.62 -0.37 1.23 -0.34 0.00 0.00 178.44 179.73 1jrp h GLY 352 N 0.49 -1.54 1.82 3.75 0.00 -0.72 0.43 103.07 107.30 1jrp h GLY 352 Ca 0.13 0.93 -0.10 0.00 0.00 0.00 0.00 47.33 48.29 1jrp h GLY 352 CO -0.01 -0.36 -0.38 1.98 0.00 0.00 0.00 176.54 177.78 1jrp h MET 353 N -0.02 0.21 -0.49 4.80 1.85 -1.00 -1.38 114.93 118.91 1jrp h MET 353 Ca 0.10 -0.09 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 1jrp h MET 353 Cb 0.27 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.27 1jrp h MET 353 CO -0.57 0.56 0.19 0.93 -0.40 0.00 0.00 176.91 177.62 1jrp h GLU 354 N 0.18 0.73 -0.28 0.39 4.39 0.31 -0.53 114.58 119.77 1jrp h GLU 354 Ca 0.02 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1jrp h GLU 354 Cb 0.75 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1jrp h GLU 354 CO 0.06 0.66 0.15 -0.09 -1.16 0.00 0.00 179.01 178.63 1jrp h ARG 355 N 0.65 0.39 0.01 2.33 1.12 0.23 -1.09 114.38 118.02 1jrp h ARG 355 Ca 0.16 -0.05 0.02 0.00 -1.11 0.00 0.00 59.98 59.00 1jrp h ARG 355 Cb 0.21 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 1jrp h ARG 355 CO -0.01 0.34 -0.10 0.00 -3.11 0.00 0.00 179.97 177.09 1jrp h ALA 356 N 1.03 -0.11 -0.87 2.80 0.00 -0.60 0.96 119.26 122.47 1jrp h ALA 356 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1jrp h ALA 356 Cb 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1jrp h ALA 356 CO -0.02 -0.59 0.57 0.97 0.00 0.00 0.00 179.25 180.19 1jrp h ILE 357 N -0.17 1.15 -0.00 0.00 2.10 -0.57 0.65 117.51 120.66 1jrp h ILE 357 Ca 0.03 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1jrp h ILE 357 Cb 0.21 -0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 35.90 1jrp h ILE 357 CO -0.09 0.20 -0.01 -0.08 -1.08 0.00 0.00 178.15 177.09 1jrp h GLU 358 N 1.09 -0.02 0.09 2.19 4.57 0.16 0.46 114.58 123.13 1jrp h GLU 358 Ca 0.35 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.55 1jrp h GLU 358 Cb 0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 1jrp h GLU 358 CO -0.10 -0.01 -0.40 1.25 -1.18 0.00 0.00 179.01 178.56 1jrp h HIS 359 N -0.02 -1.13 -0.72 0.92 2.76 0.22 0.17 115.15 117.35 1jrp h HIS 359 Ca 0.01 0.03 0.14 0.00 -2.20 0.00 0.00 60.37 58.34 1jrp h HIS 359 Cb 0.02 0.49 -0.14 0.00 1.55 0.00 0.00 27.41 29.33 1jrp h HIS 359 CO -0.09 -0.50 -0.24 1.25 -1.30 0.00 0.00 177.93 177.05 1jrp h LEU 360 N -0.62 -0.86 -0.10 0.26 5.85 0.68 0.24 115.31 120.77 1jrp h LEU 360 Ca 0.03 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1jrp h LEU 360 Cb 0.66 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1jrp h LEU 360 CO -0.26 -0.27 0.01 0.00 -0.34 0.00 0.00 178.44 177.59 1jrp h ALA 361 N 1.53 0.09 -0.79 1.25 0.00 0.23 -2.03 119.26 119.55 1jrp h ALA 361 Ca 0.33 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1jrp h ALA 361 Cb 0.55 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1jrp h ALA 361 CO -0.76 -0.45 0.43 0.00 0.00 0.00 0.00 179.25 178.47 1jrp h ARG 362 N 0.05 0.70 -0.83 0.00 2.47 0.12 0.22 114.38 117.11 1jrp h ARG 362 Ca 0.04 -0.04 0.19 0.00 -1.26 0.00 0.00 59.98 58.91 1jrp h ARG 362 Cb 0.04 -0.16 -0.12 0.00 -1.65 0.00 0.00 29.97 28.09 1jrp h ARG 362 CO -0.07 0.46 0.31 0.78 0.56 0.00 0.00 179.97 182.01 1jrp h GLY 363 N 0.72 1.31 -3.45 0.04 0.00 -0.67 0.54 103.07 101.56 1jrp h GLY 363 Ca 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1jrp h GLY 363 CO -0.26 -0.22 0.01 1.15 0.00 0.00 0.00 176.54 177.22 1jrp n MET 364 N -5.08 4.75 -3.63 4.80 -0.00 0.67 -4.87 117.12 113.77 1jrp n MET 364 Ca 0.19 -3.15 -0.27 0.00 -0.00 0.00 0.00 57.70 54.46 1jrp n MET 364 Cb 0.56 -2.25 -0.00 0.00 -0.00 0.00 0.00 33.22 31.53 1jrp n MET 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jrp n GLY 365 N 0.51 -0.48 3.84 3.17 0.00 0.18 -4.94 105.19 107.47 1jrp n GLY 365 Ca 0.28 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 1jrp n GLY 365 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jrp s ARG 366 N -6.30 3.05 -0.04 1.61 3.52 -0.86 -5.04 118.95 114.89 1jrp s ARG 366 Ca 0.52 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 1jrp s ARG 366 Cb -0.27 -2.73 -0.05 0.00 -1.56 0.00 0.00 34.95 30.34 1jrp s ARG 366 CO 0.63 0.49 1.45 0.34 -0.81 0.00 0.00 175.30 177.40 1jrp s ASP 367 N -3.20 6.81 0.22 -2.12 2.15 -1.26 -4.44 116.67 114.83 1jrp s ASP 367 Ca 0.32 2.08 -0.11 0.00 0.43 0.00 0.00 52.55 55.27 1jrp s ASP 367 Cb -0.10 -2.55 0.31 0.00 -0.30 0.00 0.00 42.92 40.28 1jrp s ASP 367 CO 0.25 -0.78 1.64 -0.65 -0.17 0.00 0.00 175.17 175.46 1jrp h PRO 368 N 8.34 0.07 -0.40 4.34 0.11 -1.93 -1.83 132.00 140.69 1jrp h PRO 368 Ca -0.36 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.83 1jrp h PRO 368 Cb 1.17 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 1jrp h PRO 368 CO 0.93 0.05 -0.26 0.00 -0.21 0.00 0.00 178.00 178.51 1jrp h ALA 369 N 1.62 -0.02 -0.66 -0.75 0.00 -1.90 0.12 119.26 117.66 1jrp h ALA 369 Ca 0.34 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1jrp h ALA 369 Cb 0.55 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1jrp h ALA 369 CO -0.60 -0.64 0.32 0.93 0.00 0.00 0.00 179.25 179.26 1jrp h GLU 370 N -0.19 0.96 -0.27 0.00 4.39 -1.77 0.84 114.58 118.54 1jrp h GLU 370 Ca 0.19 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1jrp h GLU 370 Cb 0.49 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 1jrp h GLU 370 CO -0.51 0.76 -0.19 1.25 -1.16 0.00 0.00 179.01 179.16 1jrp h LEU 371 N 0.92 -0.61 0.82 1.33 5.85 -0.27 0.60 115.31 123.95 1jrp h LEU 371 Ca 0.23 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 1jrp h LEU 371 Cb 0.12 0.31 0.01 0.00 0.37 0.00 0.00 40.66 41.47 1jrp h LEU 371 CO -0.03 -0.23 -0.39 0.03 -0.34 0.00 0.00 178.44 177.48 1jrp h ARG 372 N -0.17 -1.06 -0.71 1.25 3.08 -0.54 -2.34 114.38 113.90 1jrp h ARG 372 Ca 0.15 0.07 0.18 0.00 0.07 0.00 0.00 59.98 60.45 1jrp h ARG 372 Cb 0.39 0.24 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 1jrp h ARG 372 CO -0.37 -0.71 -0.04 0.00 -1.07 0.00 0.00 179.97 177.78 1jrp n ALA 373 N -2.58 0.31 0.31 0.04 0.00 0.26 0.39 120.51 119.23 1jrp n ALA 373 Ca -0.14 0.76 0.20 0.00 0.00 0.00 0.00 53.44 54.26 1jrp n ALA 373 Cb 0.43 -0.53 0.95 0.00 0.00 0.00 0.00 19.45 20.30 1jrp n ALA 373 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jrp h LEU 374 N 0.00 0.00 -3.01 0.00 5.85 0.72 -3.00 115.31 115.86 1jrp h LEU 374 Ca 0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1jrp h LEU 374 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1jrp h LEU 374 CO -0.68 0.01 0.00 0.59 -0.34 0.00 0.00 178.44 178.01 1jrp n ASN 375 N -3.11 2.43 -4.65 1.25 3.02 1.25 -4.94 115.26 110.51 1jrp n ASN 375 Ca -0.01 -2.48 -0.30 0.00 -0.03 0.00 0.00 54.58 51.76 1jrp n ASN 375 Cb 0.19 -0.23 0.17 0.00 -0.61 0.00 0.00 39.78 39.30 1jrp n ASN 375 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1jrp s PHE 376 N -1.83 1.84 0.44 3.10 2.99 -0.78 -1.95 117.98 121.79 1jrp s PHE 376 Ca 0.18 1.50 -0.25 0.00 0.00 0.00 0.00 56.93 58.37 1jrp s PHE 376 Cb 0.15 -3.21 -0.08 0.00 0.00 0.00 0.00 43.02 39.88 1jrp s PHE 376 CO 0.04 -2.83 1.31 0.71 -0.00 0.00 0.00 175.22 174.44 1jrp s TYR 377 N -2.70 2.69 0.44 0.36 1.51 -1.24 -4.51 117.35 113.89 1jrp s TYR 377 Ca 0.66 1.40 -0.25 0.00 -1.01 0.00 0.00 57.07 57.87 1jrp s TYR 377 Cb -0.21 -3.68 -0.09 0.00 -0.11 0.00 0.00 41.96 37.86 1jrp s TYR 377 CO 0.59 -2.26 1.25 -0.25 -1.11 0.00 0.00 175.55 173.77 1jrp n ASP 378 N -0.21 2.40 -4.19 2.29 8.00 -1.26 -4.76 116.55 118.83 1jrp n ASP 378 Ca 0.06 1.08 -0.29 0.00 0.71 0.00 0.00 54.79 56.35 1jrp n ASP 378 Cb 0.44 -1.49 0.25 0.00 -0.02 0.00 0.00 41.12 40.30 1jrp n ASP 378 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1jrp s PRO 379 N -2.26 -1.24 0.46 -0.24 0.02 -1.26 -4.59 135.00 125.89 1jrp s PRO 379 Ca 0.62 0.45 -0.07 0.00 0.02 0.00 0.00 61.00 62.02 1jrp s PRO 379 Cb -0.50 -1.55 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 1jrp s PRO 379 CO 0.57 -3.84 0.79 -1.25 -0.33 0.00 0.00 177.00 172.94 1jrp s PRO 380 N -4.84 3.63 0.00 5.54 0.05 -1.26 -4.92 135.00 133.20 1jrp s PRO 380 Ca 0.68 0.32 0.00 0.00 0.05 0.00 0.00 61.00 62.05 1jrp s PRO 380 Cb -0.19 -2.37 0.00 0.00 0.05 0.00 0.00 34.50 32.00 1jrp s PRO 380 CO 0.61 -0.16 0.00 0.39 0.05 0.00 0.00 177.00 177.88 1jrp n GLU 381 N -1.94 0.00 -0.16 4.56 4.71 -1.26 -5.09 120.64 121.45 1jrp n GLU 381 Ca 0.01 0.42 -0.06 0.00 -0.01 0.00 0.00 57.16 57.53 1jrp n GLU 381 Cb 0.55 -0.85 -0.00 0.00 -1.01 0.00 0.00 31.44 30.12 1jrp n GLU 381 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1jrp n LYS 398 N 0.01 0.00 -1.79 3.49 4.01 -1.26 -5.71 118.16 116.90 1jrp n LYS 398 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1jrp n LYS 398 Cb 0.00 -0.12 0.00 0.00 -0.51 0.00 0.00 35.03 34.40 1jrp n LYS 398 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1jrp n LYS 399 N 0.12 -0.32 -3.97 1.97 0.00 -1.26 -4.98 118.16 109.72 1jrp n LYS 399 Ca 0.02 0.23 -0.30 0.00 -0.00 0.00 0.00 58.31 58.25 1jrp n LYS 399 Cb 0.03 -0.74 -0.05 0.00 -0.00 0.00 0.00 35.03 34.27 1jrp n LYS 399 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jrp s THR 400 N -0.03 5.06 0.77 0.58 2.01 -1.26 -5.08 115.64 117.68 1jrp s THR 400 Ca 0.00 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1jrp s THR 400 Cb 0.00 -3.47 0.05 0.00 0.01 0.00 0.00 72.50 69.09 1jrp s THR 400 CO 0.00 0.11 1.09 -1.10 -0.69 0.00 0.00 174.62 174.03 1jrp s GLN 401 N -2.55 2.29 0.35 4.92 -0.21 -1.26 -4.87 119.66 118.33 1jrp s GLN 401 Ca 0.33 1.17 0.07 0.00 0.02 0.00 0.00 55.36 56.94 1jrp s GLN 401 Cb -0.12 -1.90 -0.07 0.00 1.00 0.00 0.00 33.01 31.92 1jrp s GLN 401 CO 0.26 -1.62 -0.02 0.95 -2.12 0.00 0.00 175.29 172.74 1jrp s THR 402 N -2.90 1.80 0.80 -0.19 -4.23 -1.26 -2.42 115.64 107.24 1jrp s THR 402 Ca 0.61 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1jrp s THR 402 Cb -0.17 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 71.07 1jrp s THR 402 CO 0.56 -0.12 1.11 0.42 -0.54 0.00 0.00 174.62 176.05 1jrp s THR 403 N -2.88 2.10 -2.00 3.99 -4.23 -1.00 -4.74 115.64 106.88 1jrp s THR 403 Ca 0.33 -0.36 0.21 0.00 -1.18 0.00 0.00 61.69 60.69 1jrp s THR 403 Cb 0.07 -2.74 0.58 0.00 1.34 0.00 0.00 72.50 71.75 1jrp s THR 403 CO 0.16 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.85 1jrp n HIS 404 N -3.17 0.00 -0.09 3.99 1.44 -1.26 -0.37 115.22 115.76 1jrp n HIS 404 Ca 0.14 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.91 1jrp n HIS 404 Cb 0.60 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.85 1jrp n HIS 404 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1jrp n TYR 405 N -0.99 0.41 -0.87 -1.40 0.18 -1.26 -4.65 117.16 108.57 1jrp n TYR 405 Ca 0.15 -0.43 0.00 0.00 1.88 0.00 0.00 57.90 59.50 1jrp n TYR 405 Cb 0.07 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 1jrp n TYR 405 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1jrp n GLY 406 N 0.55 0.63 3.51 -7.48 0.00 0.50 -1.81 105.19 101.09 1jrp n GLY 406 Ca 0.11 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1jrp n GLY 406 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jrp s GLN 407 N -1.81 3.73 0.38 1.61 0.74 -1.24 -4.70 119.66 118.37 1jrp s GLN 407 Ca 0.00 -0.47 -0.27 0.00 0.05 0.00 0.00 55.36 54.67 1jrp s GLN 407 Cb 0.00 -3.09 -0.10 0.00 1.10 0.00 0.00 33.01 30.92 1jrp s GLN 407 CO 0.00 0.12 1.38 -1.21 -0.55 0.00 0.00 175.29 175.03 1jrp s GLU 408 N 0.73 4.09 -0.60 1.67 2.02 -1.26 -2.38 118.70 122.97 1jrp s GLU 408 Ca 0.01 2.35 -0.06 0.00 0.02 0.00 0.00 54.97 57.29 1jrp s GLU 408 Cb -0.14 -2.91 0.16 0.00 0.10 0.00 0.00 34.13 31.34 1jrp s GLU 408 CO 0.02 -0.46 0.44 0.08 0.02 0.00 0.00 175.26 175.36 1jrp s VAL 409 N -1.17 4.05 -0.90 2.63 1.01 -1.02 -4.91 120.40 120.10 1jrp s VAL 409 Ca 0.54 -2.55 0.17 0.00 0.00 0.00 0.00 61.98 60.14 1jrp s VAL 409 Cb -0.42 -3.63 0.62 0.00 0.00 0.00 0.00 36.38 32.95 1jrp s VAL 409 CO 0.56 -0.86 1.54 0.00 0.00 0.00 0.00 175.10 176.34 1jrp n ALA 410 N 3.97 2.94 -2.05 5.51 0.00 -1.26 -4.47 120.51 125.16 1jrp n ALA 410 Ca 0.04 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.82 1jrp n ALA 410 Cb 0.40 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 1jrp n ALA 410 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jrp n ASP 411 N 0.72 0.05 -4.62 0.00 5.75 -1.26 -4.59 116.55 112.59 1jrp n ASP 411 Ca 0.23 -1.72 -0.43 0.00 -0.01 0.00 0.00 54.79 52.86 1jrp n ASP 411 Cb 0.82 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 1jrp n ASP 411 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jrp n VAL 413 N 6.40 2.72 -0.19 0.00 0.24 -1.26 -4.24 118.33 122.00 1jrp n VAL 413 Ca 0.14 -2.27 -0.09 0.00 -2.04 0.00 0.00 64.34 60.08 1jrp n VAL 413 Cb 0.47 -0.35 0.01 0.00 -1.47 0.00 0.00 33.84 32.51 1jrp n VAL 413 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1jrp h LEU 414 N 1.36 0.88 -0.21 1.34 3.38 -1.89 -0.41 115.31 119.76 1jrp h LEU 414 Ca 0.29 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1jrp h LEU 414 Cb 2.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 1jrp h LEU 414 CO 0.58 0.95 -0.29 1.23 0.09 0.00 0.00 178.44 180.99 1jrp h GLY 415 N 0.79 -1.46 0.34 0.83 0.00 -1.86 0.43 103.07 102.14 1jrp h GLY 415 Ca 0.16 0.77 0.04 0.00 0.00 0.00 0.00 47.33 48.30 1jrp h GLY 415 CO 0.02 -0.42 -0.24 -2.09 0.00 0.00 0.00 176.54 173.81 1jrp h GLU 416 N -0.21 -0.31 0.39 4.80 4.81 -1.86 -2.42 114.58 119.79 1jrp h GLU 416 Ca 0.04 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1jrp h GLU 416 Cb 0.31 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1jrp h GLU 416 CO -0.31 -0.20 -0.29 1.25 -0.73 0.00 0.00 179.01 178.72 1jrp h LEU 417 N -0.32 -0.76 -0.09 1.64 6.46 -0.01 -1.01 115.31 121.22 1jrp h LEU 417 Ca 0.09 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1jrp h LEU 417 Cb 0.45 0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 1jrp h LEU 417 CO -0.28 -0.45 -0.31 0.58 -0.62 0.00 0.00 178.44 177.37 1jrp h VAL 418 N -0.68 0.31 -0.26 1.05 2.07 -0.10 0.96 116.25 119.60 1jrp h VAL 418 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1jrp h VAL 418 Cb 0.59 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1jrp h VAL 418 CO 0.00 0.00 -0.17 0.74 0.02 0.00 0.00 177.57 178.17 1jrp h THR 419 N -0.41 0.00 -1.28 2.57 2.02 -1.04 1.47 112.91 116.24 1jrp h THR 419 Ca 0.09 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.65 1jrp h THR 419 Cb 0.54 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.85 1jrp h THR 419 CO -0.32 0.00 0.86 -0.09 0.37 0.00 0.00 175.52 176.34 1jrp h ARG 420 N -0.02 0.15 -0.04 6.66 2.43 0.07 0.10 114.38 123.74 1jrp h ARG 420 Ca 0.04 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.00 1jrp h ARG 420 Cb 0.13 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1jrp h ARG 420 CO -0.25 0.10 -0.76 1.25 -1.51 0.00 0.00 179.97 178.80 1jrp h LEU 421 N 0.15 0.73 -0.89 3.80 5.85 0.43 -0.33 115.31 125.05 1jrp h LEU 421 Ca 0.72 -0.72 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1jrp h LEU 421 Cb 2.32 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 43.07 1jrp h LEU 421 CO -0.26 1.34 0.56 1.56 -0.34 0.00 0.00 178.44 181.30 1jrp h GLN 422 N 0.18 0.99 -0.07 1.25 4.20 0.20 0.63 115.11 122.48 1jrp h GLN 422 Ca -0.08 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1jrp h GLN 422 Cb 1.43 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 28.99 1jrp h GLN 422 CO 0.15 0.65 -0.38 0.87 -0.67 0.00 0.00 178.83 179.46 1jrp h LYS 423 N 1.02 0.38 0.00 1.46 1.79 -1.27 0.99 116.57 120.94 1jrp h LYS 423 Ca 0.39 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1jrp h LYS 423 Cb 0.17 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1jrp h LYS 423 CO -0.17 0.96 -0.05 0.66 -1.08 0.00 0.00 179.45 179.76 1jrp h SER 424 N -0.09 0.00 -0.31 0.86 4.64 -0.24 -2.16 113.55 116.25 1jrp h SER 424 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1jrp h SER 424 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1jrp h SER 424 CO 0.08 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1jrp n ALA 425 N -2.33 2.36 -3.08 5.18 0.00 0.14 -4.95 120.51 117.82 1jrp n ALA 425 Ca -0.03 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1jrp n ALA 425 Cb 0.14 -0.62 0.07 0.00 0.00 0.00 0.00 19.45 19.03 1jrp n ALA 425 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jrp n ASN 426 N 1.01 -2.08 0.13 0.00 5.15 0.15 -4.86 115.26 114.76 1jrp n ASN 426 Ca 0.14 -0.46 -0.05 0.00 -0.60 0.00 0.00 54.58 53.61 1jrp n ASN 426 Cb 0.48 -3.97 -0.02 0.00 -0.53 0.00 0.00 39.78 35.73 1jrp n ASN 426 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1jrp h PHE 427 N -1.43 -0.31 -0.64 1.20 3.57 -1.29 -1.98 116.94 116.05 1jrp h PHE 427 Ca -0.44 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.16 1jrp h PHE 427 Cb 1.26 0.10 -0.12 0.00 2.79 0.00 0.00 35.95 39.98 1jrp h PHE 427 CO 0.33 -0.19 -0.32 1.15 -2.23 0.00 0.00 178.31 177.05 1jrp h THR 428 N -0.41 0.17 -0.28 4.41 2.02 -1.91 0.22 112.91 117.13 1jrp h THR 428 Ca -0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1jrp h THR 428 Cb 0.26 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1jrp h THR 428 CO 0.06 0.00 0.10 0.74 0.37 0.00 0.00 175.52 176.78 1jrp h THR 429 N -0.13 0.93 -0.96 3.16 2.02 -1.96 -1.99 112.91 113.99 1jrp h THR 429 Ca 0.26 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1jrp h THR 429 Cb 0.55 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 1jrp h THR 429 CO -0.71 0.04 0.62 0.03 0.37 0.00 0.00 175.52 175.87 1jrp h ARG 430 N 0.22 1.13 0.04 6.66 3.08 0.02 -0.53 114.38 125.00 1jrp h ARG 430 Ca 0.12 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1jrp h ARG 430 Cb 0.09 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 1jrp h ARG 430 CO -0.12 0.75 -0.38 -0.09 -1.07 0.00 0.00 179.97 179.06 1jrp h ARG 431 N 1.16 -0.54 0.20 0.04 2.43 0.02 -0.18 114.38 117.52 1jrp h ARG 431 Ca 0.40 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1jrp h ARG 431 Cb 0.09 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1jrp h ARG 431 CO -0.15 -0.36 -0.47 0.00 -1.51 0.00 0.00 179.97 177.48 1jrp h ALA 432 N 0.05 -1.00 -1.00 2.80 0.00 -0.75 -0.28 119.26 119.08 1jrp h ALA 432 Ca 0.05 -0.12 0.36 0.00 0.00 0.00 0.00 54.91 55.19 1jrp h ALA 432 Cb 0.62 0.81 -0.18 0.00 0.00 0.00 0.00 17.79 19.04 1jrp h ALA 432 CO -0.27 -1.09 0.33 0.93 0.00 0.00 0.00 179.25 179.15 1jrp h GLU 433 N -0.73 0.01 -0.33 0.00 5.08 -0.51 0.92 114.58 119.02 1jrp h GLU 433 Ca -0.02 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1jrp h GLU 433 Cb 0.71 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1jrp h GLU 433 CO -0.21 0.01 -0.26 0.82 -1.00 0.00 0.00 179.01 178.38 1jrp h ILE 434 N 0.01 1.29 0.14 3.13 2.04 0.71 -1.11 117.51 123.73 1jrp h ILE 434 Ca 0.74 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1jrp h ILE 434 Cb 1.81 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.31 1jrp h ILE 434 CO -0.83 0.46 -0.53 0.00 0.00 0.00 0.00 178.15 177.25 1jrp h ALA 435 N 0.75 -1.01 -0.16 1.87 0.00 -0.18 0.15 119.26 120.68 1jrp h ALA 435 Ca 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jrp h ALA 435 Cb 0.82 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1jrp h ALA 435 CO 0.07 -1.13 -0.11 0.00 0.00 0.00 0.00 179.25 178.07 1jrp h ALA 436 N -0.57 -0.21 -1.01 0.00 0.00 -1.39 0.50 119.26 116.59 1jrp h ALA 436 Ca -0.01 0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.21 1jrp h ALA 436 Cb 0.76 0.98 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 1jrp h ALA 436 CO -0.28 -0.28 0.58 2.35 0.00 0.00 0.00 179.25 181.63 1jrp h TRP 437 N -0.03 0.95 0.33 0.00 7.01 -0.98 0.09 115.95 123.33 1jrp h TRP 437 Ca 0.03 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1jrp h TRP 437 Cb 0.09 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1jrp h TRP 437 CO -0.84 -0.09 -0.16 -0.91 -2.79 0.00 0.00 178.44 173.65 1jrp h ASN 438 N 0.41 -0.37 0.00 2.65 2.35 0.15 -2.70 115.58 118.06 1jrp h ASN 438 Ca 0.70 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.38 1jrp h ASN 438 Cb 1.53 0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.00 1jrp h ASN 438 CO -0.55 -0.16 0.04 -1.54 -1.65 0.00 0.00 177.43 173.57 1jrp n SER 439 N -5.23 0.00 -0.57 5.81 3.41 0.00 0.20 113.62 117.25 1jrp n SER 439 Ca -0.10 0.25 0.06 0.00 -0.26 0.00 0.00 58.87 58.82 1jrp n SER 439 Cb 0.23 -0.25 0.11 0.00 -0.26 0.00 0.00 64.21 64.04 1jrp n SER 439 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jrp n THR 440 N -1.22 0.58 -4.25 6.66 -1.04 -1.03 -4.98 114.28 108.99 1jrp n THR 440 Ca 0.00 -0.79 -0.22 0.00 -2.04 0.00 0.00 64.05 61.00 1jrp n THR 440 Cb 0.04 0.81 -0.12 0.00 -1.82 0.00 0.00 70.33 69.23 1jrp n THR 440 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1jrp s ASN 441 N -0.98 2.29 0.00 8.00 -0.87 0.54 -5.01 114.94 118.90 1jrp s ASN 441 Ca 0.19 -0.67 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 1jrp s ASN 441 Cb 0.11 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.23 1jrp s ASN 441 CO 0.15 0.02 0.02 -2.11 -2.57 0.00 0.00 177.10 172.61 1jrp n ARG 442 N 1.12 4.02 -0.05 -0.60 1.85 -1.26 -4.77 116.66 116.96 1jrp n ARG 442 Ca -0.20 -0.02 -0.04 0.00 -1.00 0.00 0.00 57.85 56.59 1jrp n ARG 442 Cb 0.54 -0.35 -0.10 0.00 -1.05 0.00 0.00 32.46 31.49 1jrp n ARG 442 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1jrp n THR 443 N -0.58 0.71 -4.38 8.89 -1.04 -1.26 -4.92 114.28 111.70 1jrp n THR 443 Ca 0.00 -0.51 -0.26 0.00 -2.04 0.00 0.00 64.05 61.24 1jrp n THR 443 Cb 0.01 -0.48 -0.10 0.00 -1.82 0.00 0.00 70.33 67.93 1jrp n THR 443 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1jrp s LEU 444 N -4.76 2.70 -0.09 -4.42 1.43 -1.26 -0.80 118.68 111.47 1jrp s LEU 444 Ca -0.06 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.14 1jrp s LEU 444 Cb 0.05 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.95 1jrp s LEU 444 CO 0.55 0.08 0.26 0.00 0.23 0.00 0.00 176.35 177.47 1jrp s ALA 445 N -1.95 -0.63 0.16 4.21 0.00 -0.47 -4.79 121.76 118.29 1jrp s ALA 445 Ca 0.25 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.97 1jrp s ALA 445 Cb -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1jrp s ALA 445 CO 0.14 -0.12 0.15 1.03 0.00 0.00 0.00 175.76 176.95 1jrp s ARG 446 N 0.11 2.95 0.11 0.00 0.52 -1.26 -0.77 118.95 120.61 1jrp s ARG 446 Ca -0.00 -0.85 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 1jrp s ARG 446 Cb -0.02 -2.68 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 1jrp s ARG 446 CO 0.00 0.49 0.13 0.20 0.02 0.00 0.00 175.30 176.14 1jrp s GLY 447 N -3.12 0.46 -0.10 -3.53 0.00 0.27 -4.52 107.32 96.77 1jrp s GLY 447 Ca 0.31 -1.00 -0.08 0.00 0.00 0.00 0.00 44.72 43.96 1jrp s GLY 447 CO 0.24 -1.05 0.26 -1.50 0.00 0.00 0.00 173.10 171.05 1jrp s ILE 448 N -3.94 -0.01 0.10 0.90 2.07 -1.26 0.10 121.20 119.16 1jrp s ILE 448 Ca 0.12 0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.42 1jrp s ILE 448 Cb 0.06 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 1jrp s ILE 448 CO -0.06 0.02 -0.04 0.00 -1.91 0.00 0.00 174.94 172.96 1jrp s ALA 449 N 0.52 0.88 -0.05 1.50 0.00 0.23 -4.80 121.76 120.04 1jrp s ALA 449 Ca -0.03 -1.35 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1jrp s ALA 449 Cb -0.05 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1jrp s ALA 449 CO -0.03 -0.30 -0.24 -1.17 0.00 0.00 0.00 175.76 174.02 1jrp s LEU 450 N -3.03 2.15 -0.07 0.00 2.96 -1.26 -1.61 118.68 117.82 1jrp s LEU 450 Ca 0.13 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1jrp s LEU 450 Cb 0.06 -1.39 0.02 0.00 0.50 0.00 0.00 46.19 45.39 1jrp s LEU 450 CO -0.05 0.26 0.18 -0.94 -1.32 0.00 0.00 176.35 174.48 1jrp s SER 451 N -0.27 -0.18 0.29 3.68 1.04 -0.03 -4.90 113.70 113.33 1jrp s SER 451 Ca -0.00 0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.85 1jrp s SER 451 Cb -0.13 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1jrp s SER 451 CO 0.03 -0.09 0.34 -2.16 0.98 0.00 0.00 173.24 172.34 1jrp s PRO 452 N 0.39 3.08 -0.01 4.02 0.04 -1.26 -1.49 135.00 139.77 1jrp s PRO 452 Ca -0.02 -1.01 0.04 0.00 0.04 0.00 0.00 61.00 60.04 1jrp s PRO 452 Cb -0.04 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 1jrp s PRO 452 CO -0.02 0.25 -0.12 0.08 0.04 0.00 0.00 177.00 177.24 1jrp s VAL 453 N -2.14 0.92 -0.05 -0.36 1.01 0.18 -4.81 120.40 115.16 1jrp s VAL 453 Ca 0.38 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1jrp s VAL 453 Cb -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1jrp s VAL 453 CO 0.28 0.26 0.02 -0.75 0.00 0.00 0.00 175.10 174.91 1jrp s LYS 454 N -0.28 0.29 -0.14 2.72 2.20 -1.26 -2.52 119.74 120.75 1jrp s LYS 454 Ca 0.04 0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 1jrp s LYS 454 Cb -0.05 -0.68 0.05 0.00 -1.51 0.00 0.00 37.83 35.64 1jrp s LYS 454 CO -0.00 -0.26 0.02 0.12 -0.36 0.00 0.00 175.35 174.87 1jrp s PHE 455 N 1.76 0.83 0.59 4.03 5.36 -0.38 -4.88 117.98 125.30 1jrp s PHE 455 Ca 0.01 -0.53 -0.20 0.00 -0.96 0.00 0.00 56.93 55.24 1jrp s PHE 455 Cb -0.13 -0.92 -0.03 0.00 -0.34 0.00 0.00 43.02 41.61 1jrp s PHE 455 CO -0.03 -0.49 1.32 0.20 -1.46 0.00 0.00 175.22 174.76 1jrp s GLY 456 N 1.92 2.87 -0.16 13.12 0.00 -1.26 -0.90 107.32 122.90 1jrp s GLY 456 Ca 0.02 1.26 -0.00 0.00 0.00 0.00 0.00 44.72 45.99 1jrp s GLY 456 CO -0.07 1.73 -0.15 -0.42 0.00 0.00 0.00 173.10 174.19 1jrp s ILE 457 N -1.36 2.66 0.00 0.90 -1.09 -0.20 -4.88 121.20 117.23 1jrp s ILE 457 Ca 0.76 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1jrp s ILE 457 Cb -0.38 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1jrp s ILE 457 CO 0.43 0.51 0.00 -1.20 -1.23 0.00 0.00 174.94 173.45 1jrp n SER 458 N 4.21 0.00 -4.73 3.58 7.64 -1.26 -2.68 113.62 120.38 1jrp n SER 458 Ca -0.19 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.30 1jrp n SER 458 Cb 0.51 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1jrp n SER 458 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1jrp n PHE 459 N -1.13 2.20 0.28 1.43 3.01 -1.26 -4.84 117.46 117.14 1jrp n PHE 459 Ca 0.00 0.44 0.12 0.00 1.01 0.00 0.00 57.45 59.02 1jrp n PHE 459 Cb 0.00 -2.35 0.15 0.00 -0.01 0.00 0.00 39.48 37.27 1jrp n PHE 459 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1jrp h THR 460 N 1.44 0.00 -1.84 4.37 1.35 -1.97 -3.35 112.91 112.91 1jrp h THR 460 Ca -0.50 -0.87 -0.69 0.00 -0.55 0.00 0.00 66.41 63.79 1jrp h THR 460 Cb 1.31 1.66 -0.15 0.00 -1.73 0.00 0.00 68.15 69.24 1jrp h THR 460 CO 0.57 0.00 1.38 -0.22 -0.25 0.00 0.00 175.52 177.00 1jrp s LEU 461 N -5.48 4.60 0.34 3.87 1.98 -1.26 -4.93 118.68 117.80 1jrp s LEU 461 Ca 0.05 -2.39 0.12 0.00 -2.89 0.00 0.00 54.13 49.01 1jrp s LEU 461 Cb 0.08 -2.46 1.06 0.00 0.66 0.00 0.00 46.19 45.53 1jrp s LEU 461 CO 0.70 -1.03 1.58 0.74 -1.89 0.00 0.00 176.35 176.46 1jrp h THR 462 N 5.48 0.04 0.00 3.68 2.02 -1.96 -0.61 112.91 121.57 1jrp h THR 462 Ca 0.28 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1jrp h THR 462 Cb 0.94 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1jrp h THR 462 CO 1.27 0.01 0.00 0.00 0.37 0.00 0.00 175.52 177.17 1jrp n HIS 463 N -5.34 0.00 0.61 3.16 1.44 -1.26 -1.01 115.22 112.81 1jrp n HIS 463 Ca 0.31 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.10 1jrp n HIS 463 Cb 1.02 -0.43 0.36 0.00 0.12 0.00 0.00 29.99 31.06 1jrp n HIS 463 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1jrp n LEU 464 N -1.43 0.00 -4.36 2.39 4.77 -0.24 -4.31 117.00 113.83 1jrp n LEU 464 Ca 0.04 0.45 -0.44 0.00 -0.03 0.00 0.00 56.01 56.04 1jrp n LEU 464 Cb 0.14 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1jrp n LEU 464 CO 0.12 -0.20 1.46 0.59 -1.33 0.00 0.00 177.39 178.03 1jrp n ASN 465 N -1.45 5.23 -3.87 -1.43 3.02 -0.18 -4.73 115.26 111.85 1jrp n ASN 465 Ca 0.05 -3.01 -0.11 0.00 -0.03 0.00 0.00 54.58 51.48 1jrp n ASN 465 Cb 0.18 -1.54 -0.10 0.00 -0.61 0.00 0.00 39.78 37.70 1jrp n ASN 465 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jrp s GLN 466 N 1.17 0.44 0.12 3.52 -2.07 -1.26 -1.75 119.66 119.83 1jrp s GLN 466 Ca 0.42 -0.33 -0.11 0.00 -1.82 0.00 0.00 55.36 53.51 1jrp s GLN 466 Cb -0.01 0.19 0.01 0.00 -1.09 0.00 0.00 33.01 32.10 1jrp s GLN 466 CO 0.00 -0.10 0.28 0.00 -1.32 0.00 0.00 175.29 174.15 1jrp s ALA 467 N -1.22 -0.41 0.07 2.60 0.00 -0.59 -4.41 121.76 117.80 1jrp s ALA 467 Ca -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1jrp s ALA 467 Cb -0.07 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1jrp s ALA 467 CO 0.01 -0.59 -0.04 0.20 0.00 0.00 0.00 175.76 175.35 1jrp s GLY 468 N -2.87 0.60 0.15 0.00 0.00 -1.26 -0.22 107.32 103.72 1jrp s GLY 468 Ca 0.07 -1.27 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 1jrp s GLY 468 CO -0.09 -1.37 0.31 0.00 0.00 0.00 0.00 173.10 171.95 1jrp s ALA 469 N -3.81 -0.27 -0.03 3.20 0.00 -0.29 -2.42 121.76 118.13 1jrp s ALA 469 Ca 0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1jrp s ALA 469 Cb 0.07 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.99 1jrp s ALA 469 CO -0.08 -0.64 0.03 -1.17 0.00 0.00 0.00 175.76 173.90 1jrp s LEU 470 N -2.92 0.67 -0.06 0.00 2.96 0.18 -0.21 118.68 119.30 1jrp s LEU 470 Ca 0.12 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1jrp s LEU 470 Cb 0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 46.19 46.54 1jrp s LEU 470 CO -0.04 -0.18 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.90 1jrp s VAL 471 N 1.59 2.32 -0.03 1.68 1.01 0.42 -1.02 120.40 126.36 1jrp s VAL 471 Ca -0.02 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1jrp s VAL 471 Cb -0.13 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1jrp s VAL 471 CO -0.03 0.57 -0.24 -1.10 0.00 0.00 0.00 175.10 174.30 1jrp s GLN 472 N -0.22 2.15 -0.31 2.72 -1.52 -0.62 -1.88 119.66 119.98 1jrp s GLN 472 Ca -0.01 -0.86 -0.04 0.00 -1.95 0.00 0.00 55.36 52.50 1jrp s GLN 472 Cb -0.13 -1.96 0.04 0.00 -0.22 0.00 0.00 33.01 30.73 1jrp s GLN 472 CO 0.03 0.45 0.04 0.42 -0.25 0.00 0.00 175.29 175.99 1jrp s ILE 473 N -0.39 3.35 0.86 1.08 1.01 -0.33 -1.16 121.20 125.61 1jrp s ILE 473 Ca 0.04 -1.22 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 1jrp s ILE 473 Cb -0.11 -2.88 0.15 0.00 0.01 0.00 0.00 42.46 39.62 1jrp s ILE 473 CO 0.01 -0.10 1.20 -0.31 0.00 0.00 0.00 174.94 175.74 1jrp s TYR 474 N 1.33 2.05 -0.64 3.97 1.51 -0.53 -4.78 117.35 120.25 1jrp s TYR 474 Ca -0.03 0.33 0.17 0.00 -1.01 0.00 0.00 57.07 56.52 1jrp s TYR 474 Cb -0.19 -3.70 0.75 0.00 -0.11 0.00 0.00 41.96 38.71 1jrp s TYR 474 CO 0.00 -2.17 1.51 0.25 -1.11 0.00 0.00 175.55 174.04 1jrp n THR 475 N -3.42 1.13 0.94 -0.71 -2.24 -1.26 -0.24 114.28 108.48 1jrp n THR 475 Ca 0.13 0.40 0.09 0.00 -2.27 0.00 0.00 64.05 62.39 1jrp n THR 475 Cb 0.60 -1.32 0.27 0.00 -2.10 0.00 0.00 70.33 67.78 1jrp n THR 475 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jrp n ASP 476 N -1.92 1.99 0.00 3.42 3.85 -1.26 -4.39 116.55 118.24 1jrp n ASP 476 Ca 0.01 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 1jrp n ASP 476 Cb 0.13 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 1jrp n ASP 476 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jrp n GLY 477 N 1.15 2.57 3.76 6.12 0.00 0.67 -4.82 105.19 114.64 1jrp n GLY 477 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1jrp n GLY 477 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jrp s SER 478 N -2.76 3.89 -0.01 1.61 1.04 -1.26 -4.79 113.70 111.43 1jrp s SER 478 Ca 0.00 1.37 0.01 0.00 0.48 0.00 0.00 55.95 57.81 1jrp s SER 478 Cb 0.00 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1jrp s SER 478 CO 0.00 -2.36 -0.03 -0.69 0.98 0.00 0.00 173.24 171.14 1jrp s VAL 479 N -3.05 0.26 -0.26 5.02 1.01 -0.34 -1.46 120.40 121.58 1jrp s VAL 479 Ca 0.62 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 1jrp s VAL 479 Cb -0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1jrp s VAL 479 CO 0.56 0.09 0.14 0.00 0.00 0.00 0.00 175.10 175.89 1jrp s ALA 480 N 0.13 3.40 -0.13 5.51 0.00 -0.31 -0.84 121.76 129.52 1jrp s ALA 480 Ca -0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 1jrp s ALA 480 Cb -0.04 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1jrp s ALA 480 CO -0.00 -0.49 0.08 -1.17 0.00 0.00 0.00 175.76 174.18 1jrp s LEU 481 N 1.64 4.01 -0.02 0.00 2.96 -0.36 -1.59 118.68 125.32 1jrp s LEU 481 Ca 0.07 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1jrp s LEU 481 Cb -0.15 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1jrp s LEU 481 CO 0.08 0.33 0.02 0.21 -1.32 0.00 0.00 176.35 175.67 1jrp s ASN 482 N -0.58 0.17 0.05 3.68 3.84 -0.19 -1.85 114.94 120.06 1jrp s ASN 482 Ca 0.11 0.01 0.01 0.00 0.21 0.00 0.00 52.86 53.21 1jrp s ASN 482 Cb -0.12 -0.10 -0.00 0.00 -0.55 0.00 0.00 41.25 40.48 1jrp s ASN 482 CO 0.02 -0.10 0.05 0.00 -2.79 0.00 0.00 177.10 174.28 1jrp n HIS 483 N 3.97 -0.16 0.97 0.43 1.44 -1.26 0.47 115.22 121.08 1jrp n HIS 483 Ca -0.25 -0.45 0.10 0.00 -2.01 0.00 0.00 57.72 55.11 1jrp n HIS 483 Cb 0.52 0.05 -0.11 0.00 0.12 0.00 0.00 29.99 30.57 1jrp n HIS 483 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jrp n GLY 484 N -0.10 -1.01 3.78 -1.39 0.00 -1.02 -4.60 105.19 100.86 1jrp n GLY 484 Ca 0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1jrp n GLY 484 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jrp s GLY 485 N -3.05 1.58 0.04 -0.02 0.00 -1.26 -4.87 107.32 99.74 1jrp s GLY 485 Ca 0.08 -0.55 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1jrp s GLY 485 CO 0.87 0.02 -0.19 -0.51 0.00 0.00 0.00 173.10 173.29 1jrp s THR 486 N -3.28 1.53 -0.29 0.90 -4.23 -1.26 -4.76 115.64 104.25 1jrp s THR 486 Ca 0.64 -1.12 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 1jrp s THR 486 Cb -0.14 -1.33 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 1jrp s THR 486 CO 0.53 0.18 0.51 -0.70 -0.54 0.00 0.00 174.62 174.60 1jrp s GLU 487 N -1.11 3.92 -0.21 3.99 2.56 -1.26 -4.89 118.70 121.71 1jrp s GLU 487 Ca 0.06 0.15 0.12 0.00 0.00 0.00 0.00 54.97 55.30 1jrp s GLU 487 Cb -0.08 -3.70 0.43 0.00 2.00 0.00 0.00 34.13 32.77 1jrp s GLU 487 CO 0.01 -0.45 1.21 0.00 -0.56 0.00 0.00 175.26 175.47 1jrp n MET 488 N 5.61 1.84 0.00 4.30 0.00 -1.26 -0.47 117.12 127.14 1jrp n MET 488 Ca -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 57.70 54.29 1jrp n MET 488 Cb 0.50 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 32.11 1jrp n MET 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jrp n GLY 489 N -0.90 0.48 0.90 3.17 0.00 -1.26 -3.45 105.19 104.14 1jrp n GLY 489 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1jrp n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrp n GLN 490 N -1.79 2.18 -1.05 1.61 0.00 -1.26 -4.92 117.38 112.15 1jrp n GLN 490 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 57.00 55.22 1jrp n GLN 490 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.78 1jrp n GLN 490 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jrp n GLY 491 N 1.35 0.57 0.29 2.61 0.00 -1.26 -4.96 105.19 103.78 1jrp n GLY 491 Ca 0.18 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1jrp n GLY 491 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jrp h LEU 492 N 0.00 -0.60 -0.68 0.99 5.85 -1.91 -2.01 115.31 116.95 1jrp h LEU 492 Ca 0.00 0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.96 1jrp h LEU 492 Cb 0.26 0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.32 1jrp h LEU 492 CO 0.00 -0.35 0.13 1.41 -0.34 0.00 0.00 178.44 179.30 1jrp n HIS 493 N -4.40 0.56 0.06 1.25 8.25 -1.26 0.48 115.22 120.17 1jrp n HIS 493 Ca -0.09 0.82 -0.13 0.00 -0.26 0.00 0.00 57.72 58.06 1jrp n HIS 493 Cb 0.28 -1.09 -0.09 0.00 1.12 0.00 0.00 29.99 30.22 1jrp n HIS 493 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jrp h ALA 494 N 1.37 -0.19 -0.95 -1.41 0.00 -1.82 0.13 119.26 116.39 1jrp h ALA 494 Ca 0.47 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.32 1jrp h ALA 494 Cb 1.08 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1jrp h ALA 494 CO -0.60 -0.38 0.56 0.87 0.00 0.00 0.00 179.25 179.69 1jrp h LYS 495 N -0.64 0.77 -0.33 0.00 1.57 0.76 0.81 116.57 119.50 1jrp h LYS 495 Ca -0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1jrp h LYS 495 Cb 0.48 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1jrp h LYS 495 CO 0.03 0.51 0.19 0.52 -0.57 0.00 0.00 179.45 180.13 1jrp h MET 496 N 0.80 0.46 -0.48 3.15 2.86 0.36 -1.15 114.93 120.93 1jrp h MET 496 Ca 0.51 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 58.18 1jrp h MET 496 Cb 0.67 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 1jrp h MET 496 CO -0.33 0.37 0.06 0.28 1.06 0.00 0.00 176.91 178.35 1jrp h VAL 497 N 0.42 0.69 -0.31 -2.22 2.07 0.31 -1.54 116.25 115.67 1jrp h VAL 497 Ca 0.12 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1jrp h VAL 497 Cb 0.04 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1jrp h VAL 497 CO -0.02 0.03 0.16 1.56 0.02 0.00 0.00 177.57 179.32 1jrp h GLN 498 N 0.19 0.44 -0.95 1.57 4.20 0.39 0.12 115.11 121.06 1jrp h GLN 498 Ca 0.24 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.02 1jrp h GLN 498 Cb 0.34 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.95 1jrp h GLN 498 CO -0.35 0.39 0.58 0.28 -0.67 0.00 0.00 178.83 179.06 1jrp h VAL 499 N 0.37 0.87 -0.32 -0.54 2.07 -0.72 0.11 116.25 118.10 1jrp h VAL 499 Ca 0.11 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 1jrp h VAL 499 Cb 0.09 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1jrp h VAL 499 CO -0.02 0.16 -0.25 0.00 0.02 0.00 0.00 177.57 177.49 1jrp h ALA 500 N 1.54 0.46 -0.87 1.67 0.00 -0.03 -1.36 119.26 120.68 1jrp h ALA 500 Ca 0.48 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1jrp h ALA 500 Cb 0.53 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1jrp h ALA 500 CO -0.29 0.45 0.57 0.00 0.00 0.00 0.00 179.25 179.99 1jrp h ALA 501 N 0.74 1.49 -0.70 0.00 0.00 -0.20 -1.16 119.26 119.43 1jrp h ALA 501 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1jrp h ALA 501 Cb 0.81 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1jrp h ALA 501 CO 0.07 0.41 0.19 0.00 0.00 0.00 0.00 179.25 179.92 1jrp h ALA 502 N 1.51 0.92 0.00 0.00 0.00 -0.11 -1.67 119.26 119.90 1jrp h ALA 502 Ca 0.35 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1jrp h ALA 502 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1jrp h ALA 502 CO -0.11 0.63 -0.90 0.28 0.00 0.00 0.00 179.25 179.14 1jrp h VAL 503 N 1.05 0.30 0.00 0.00 2.07 -0.67 -3.06 116.25 115.93 1jrp h VAL 503 Ca 0.22 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1jrp h VAL 503 Cb 0.34 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1jrp h VAL 503 CO -0.00 0.17 -0.53 0.18 0.02 0.00 0.00 177.57 177.41 1jrp n LEU 504 N -2.90 0.52 0.00 2.57 4.77 -0.49 -4.87 117.00 116.60 1jrp n LEU 504 Ca -0.02 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1jrp n LEU 504 Cb 0.67 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1jrp n LEU 504 CO 0.40 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1jrp n GLY 505 N 1.49 0.45 3.78 -0.72 0.00 -0.68 -4.76 105.19 104.75 1jrp n GLY 505 Ca 0.05 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1jrp n GLY 505 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jrp s ILE 506 N -2.00 1.09 0.12 -0.61 -4.36 -0.90 0.12 121.20 114.66 1jrp s ILE 506 Ca 0.00 -1.99 -0.22 0.00 -0.26 0.00 0.00 60.65 58.17 1jrp s ILE 506 Cb 0.00 -2.09 -0.07 0.00 1.25 0.00 0.00 42.46 41.55 1jrp s ILE 506 CO 0.00 0.00 0.68 -0.62 0.24 0.00 0.00 174.94 175.24 1jrp s ASP 507 N -3.90 7.23 0.44 4.36 2.15 -1.26 -4.61 116.67 121.07 1jrp s ASP 507 Ca 0.03 1.46 0.30 0.00 0.43 0.00 0.00 52.55 54.77 1jrp s ASP 507 Cb 0.01 -2.43 1.43 0.00 -0.30 0.00 0.00 42.92 41.62 1jrp s ASP 507 CO 0.02 0.24 1.62 -0.65 -0.17 0.00 0.00 175.17 176.22 1jrp h PRO 508 N 4.39 0.08 -0.25 4.34 0.11 -1.92 0.33 132.00 139.08 1jrp h PRO 508 Ca -0.48 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.69 1jrp h PRO 508 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1jrp h PRO 508 CO 0.65 0.05 0.20 0.28 -0.21 0.00 0.00 178.00 178.97 1jrp h VAL 509 N 0.08 0.70 0.00 3.15 2.07 -1.99 0.91 116.25 121.17 1jrp h VAL 509 Ca 0.83 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.35 1jrp h VAL 509 Cb 2.58 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1jrp h VAL 509 CO -0.43 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.16 1jrp n GLN 510 N -4.19 0.95 -4.05 1.57 1.13 0.11 -4.66 117.38 108.25 1jrp n GLN 510 Ca 0.03 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.75 1jrp n GLN 510 Cb 0.35 -1.43 -0.15 0.00 0.11 0.00 0.00 30.24 29.11 1jrp n GLN 510 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1jrp s VAL 511 N -2.00 2.50 -0.06 5.09 1.01 0.32 -1.20 120.40 126.06 1jrp s VAL 511 Ca 0.39 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1jrp s VAL 511 Cb 0.18 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1jrp s VAL 511 CO 0.30 0.50 0.15 -0.60 0.00 0.00 0.00 175.10 175.45 1jrp s ARG 512 N 1.35 3.39 0.16 2.72 6.06 -0.02 -4.97 118.95 127.64 1jrp s ARG 512 Ca 0.05 -0.25 -0.06 0.00 -2.50 0.00 0.00 55.73 52.97 1jrp s ARG 512 Cb -0.13 -3.10 -0.06 0.00 0.06 0.00 0.00 34.95 31.71 1jrp s ARG 512 CO -0.10 0.72 0.41 -1.50 -2.50 0.00 0.00 175.30 172.34 1jrp s ILE 513 N -1.16 5.12 0.38 4.11 1.10 -1.26 -1.23 121.20 128.26 1jrp s ILE 513 Ca 0.21 0.11 0.08 0.00 -0.51 0.00 0.00 60.65 60.54 1jrp s ILE 513 Cb -0.12 -3.63 -0.04 0.00 0.15 0.00 0.00 42.46 38.82 1jrp s ILE 513 CO 0.11 0.01 0.23 0.42 -2.11 0.00 0.00 174.94 173.59 1jrp s THR 514 N -1.70 2.72 0.58 4.00 -4.23 -0.77 -4.91 115.64 111.33 1jrp s THR 514 Ca 0.42 -1.58 -0.18 0.00 -1.18 0.00 0.00 61.69 59.18 1jrp s THR 514 Cb -0.12 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 1jrp s THR 514 CO 0.24 -0.07 1.10 0.00 -0.54 0.00 0.00 174.62 175.35 1jrp s ALA 515 N -2.49 2.67 0.19 3.99 0.00 -1.26 -4.81 121.76 120.05 1jrp s ALA 515 Ca 0.42 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1jrp s ALA 515 Cb -0.01 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1jrp s ALA 515 CO 0.24 -0.85 1.32 0.99 0.00 0.00 0.00 175.76 177.46 1jrp s THR 516 N -2.08 3.23 -0.22 0.00 2.01 -0.91 -4.85 115.64 112.82 1jrp s THR 516 Ca 0.69 0.99 -0.08 0.00 0.31 0.00 0.00 61.69 63.60 1jrp s THR 516 Cb -0.20 -3.63 0.10 0.00 0.01 0.00 0.00 72.50 68.77 1jrp s THR 516 CO 0.32 0.14 0.47 -0.62 -0.69 0.00 0.00 174.62 174.23 1jrp s ASP 517 N 0.44 -0.46 0.00 3.53 3.68 -1.26 -0.08 116.67 122.52 1jrp s ASP 517 Ca 0.58 1.12 0.13 0.00 2.13 0.00 0.00 52.55 56.50 1jrp s ASP 517 Cb -0.36 1.53 0.75 0.00 -1.45 0.00 0.00 42.92 43.38 1jrp s ASP 517 CO 0.37 -0.23 1.20 0.35 0.13 0.00 0.00 175.17 177.00 1jrp n THR 518 N 5.35 0.07 1.06 1.71 -2.24 -0.89 0.09 114.28 119.43 1jrp n THR 518 Ca -0.10 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1jrp n THR 518 Cb 0.50 -0.82 0.09 0.00 -2.10 0.00 0.00 70.33 68.00 1jrp n THR 518 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jrp n SER 519 N -1.03 2.02 -0.13 3.42 3.41 -1.26 -4.41 113.62 115.64 1jrp n SER 519 Ca 0.09 -1.50 -0.26 0.00 -0.26 0.00 0.00 58.87 56.95 1jrp n SER 519 Cb 0.05 0.33 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1jrp n SER 519 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jrp n LYS 520 N 0.12 0.55 -4.10 4.33 5.02 0.11 -4.89 118.16 119.30 1jrp n LYS 520 Ca 0.11 0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 56.29 1jrp n LYS 520 Cb 0.47 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.91 1jrp n LYS 520 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jrp s VAL 521 N -2.47 2.04 0.26 -0.18 1.01 -1.04 -4.87 120.40 115.15 1jrp s VAL 521 Ca -0.35 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.58 1jrp s VAL 521 Cb 0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1jrp s VAL 521 CO 0.46 0.42 0.45 -2.16 0.00 0.00 0.00 175.10 174.28 1jrp s PRO 522 N 1.27 3.51 -0.81 2.72 0.04 -1.26 -4.42 135.00 136.05 1jrp s PRO 522 Ca 0.02 -0.35 -0.01 0.00 0.04 0.00 0.00 61.00 60.70 1jrp s PRO 522 Cb -0.14 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 1jrp s PRO 522 CO -0.11 0.31 0.68 0.09 0.04 0.00 0.00 177.00 178.01 1jrp n ASN 523 N -1.11 -2.81 -4.87 6.66 3.02 -1.26 -4.93 115.26 109.96 1jrp n ASN 523 Ca -0.05 -0.45 -0.34 0.00 -0.03 0.00 0.00 54.58 53.71 1jrp n ASN 523 Cb 0.55 -3.74 -0.05 0.00 -0.61 0.00 0.00 39.78 35.92 1jrp n ASN 523 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jrp s THR 524 N -3.26 5.04 1.00 3.41 -4.23 -1.26 -4.98 115.64 111.37 1jrp s THR 524 Ca 0.08 0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.93 1jrp s THR 524 Cb -0.01 -3.65 0.19 0.00 1.34 0.00 0.00 72.50 70.36 1jrp s THR 524 CO 0.51 0.21 1.09 -0.44 -0.54 0.00 0.00 174.62 175.45 1jrp s SER 525 N -1.91 2.60 0.61 3.99 0.01 -1.26 -4.51 113.70 113.23 1jrp s SER 525 Ca 0.37 1.24 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 1jrp s SER 525 Cb -0.14 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 1jrp s SER 525 CO 0.19 -3.15 1.07 0.00 0.41 0.00 0.00 173.24 171.76 1jrp s ALA 526 N -2.93 2.68 -0.59 1.44 0.00 -1.26 -4.85 121.76 116.24 1jrp s ALA 526 Ca 0.65 0.41 -0.27 0.00 0.00 0.00 0.00 51.96 52.76 1jrp s ALA 526 Cb -0.19 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1jrp s ALA 526 CO 0.58 -0.93 1.14 0.99 0.00 0.00 0.00 175.76 177.55 1jrp s THR 527 N -2.45 4.07 0.06 0.00 2.01 -0.80 -4.91 115.64 113.62 1jrp s THR 527 Ca 0.64 0.70 -0.20 0.00 0.31 0.00 0.00 61.69 63.13 1jrp s THR 527 Cb -0.17 -4.71 0.07 0.00 0.01 0.00 0.00 72.50 67.70 1jrp s THR 527 CO 0.39 -1.35 0.95 0.00 -0.69 0.00 0.00 174.62 173.91 1jrp n ALA 528 N 8.32 -2.59 -2.88 7.40 0.00 -1.26 -4.93 120.51 124.57 1jrp n ALA 528 Ca 0.06 -0.74 -0.16 0.00 0.00 0.00 0.00 53.44 52.60 1jrp n ALA 528 Cb 0.49 0.28 0.03 0.00 0.00 0.00 0.00 19.45 20.25 1jrp n ALA 528 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jrp n ALA 529 N -1.26 -0.74 -3.06 0.00 0.00 -1.26 -1.31 120.51 112.88 1jrp n ALA 529 Ca -0.10 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 1jrp n ALA 529 Cb 0.47 -3.14 -0.03 0.00 0.00 0.00 0.00 19.45 16.75 1jrp n ALA 529 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jrp n SER 530 N -1.40 0.27 -0.00 0.00 3.41 -1.26 -4.26 113.62 110.38 1jrp n SER 530 Ca -0.07 -0.41 0.08 0.00 -0.26 0.00 0.00 58.87 58.21 1jrp n SER 530 Cb 0.58 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 1jrp n SER 530 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jrp n SER 531 N -0.70 0.83 -0.24 4.04 3.41 -0.43 -4.65 113.62 115.88 1jrp n SER 531 Ca -0.10 -0.76 -0.06 0.00 -0.26 0.00 0.00 58.87 57.69 1jrp n SER 531 Cb 0.22 1.11 -0.05 0.00 -0.26 0.00 0.00 64.21 65.23 1jrp n SER 531 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jrp n GLY 532 N 1.41 -1.45 0.12 5.00 0.00 -1.26 -1.69 105.19 107.32 1jrp n GLY 532 Ca 0.02 0.67 -0.21 0.00 0.00 0.00 0.00 46.02 46.50 1jrp n GLY 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrp h ALA 533 N 0.32 0.13 -0.68 4.61 0.00 -1.97 -2.62 119.26 119.05 1jrp h ALA 533 Ca 0.10 -1.01 0.14 0.00 0.00 0.00 0.00 54.91 54.13 1jrp h ALA 533 Cb 0.24 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 1jrp h ALA 533 CO -0.54 0.73 -0.17 -0.44 0.00 0.00 0.00 179.25 178.83 1jrp h ASP 534 N -0.35 -0.65 0.00 0.00 5.19 -1.71 -0.16 116.42 118.75 1jrp h ASP 534 Ca -0.27 0.21 -0.08 0.00 -0.62 0.00 0.00 57.03 56.27 1jrp h ASP 534 Cb 1.72 0.43 -0.01 0.00 0.18 0.00 0.00 39.33 41.64 1jrp h ASP 534 CO 0.07 -0.23 -0.51 0.24 -3.12 0.00 0.00 179.24 175.69 1jrp h MET 535 N -0.00 0.00 -0.97 3.56 2.86 -1.43 -2.97 114.93 115.97 1jrp h MET 535 Ca 0.33 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.05 1jrp h MET 535 Cb 0.50 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 1jrp h MET 535 CO -0.70 0.63 0.62 -0.91 1.06 0.00 0.00 176.91 177.61 1jrp h ASN 536 N -1.00 0.95 -0.35 1.22 2.35 -1.46 0.44 115.58 117.72 1jrp h ASN 536 Ca -0.12 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1jrp h ASN 536 Cb 0.83 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.95 1jrp h ASN 536 CO -0.07 0.58 -0.40 1.23 -1.65 0.00 0.00 177.43 177.12 1jrp h GLY 537 N 1.06 -1.30 -0.21 2.83 0.00 -1.11 0.46 103.07 104.80 1jrp h GLY 537 Ca 0.44 0.78 0.09 0.00 0.00 0.00 0.00 47.33 48.63 1jrp h GLY 537 CO -0.19 -0.30 -0.32 -0.33 0.00 0.00 0.00 176.54 175.40 1jrp h MET 538 N -0.24 -0.22 -0.96 4.80 2.86 -0.05 0.90 114.93 122.02 1jrp h MET 538 Ca 0.06 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1jrp h MET 538 Cb 0.40 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 1jrp h MET 538 CO -0.46 -0.14 0.63 0.00 1.06 0.00 0.00 176.91 177.99 1jrp h ALA 539 N 0.84 1.39 -0.39 6.32 0.00 0.15 0.83 119.26 128.41 1jrp h ALA 539 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jrp h ALA 539 Cb 0.53 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1jrp h ALA 539 CO -0.56 0.51 0.15 0.28 0.00 0.00 0.00 179.25 179.63 1jrp h VAL 540 N 1.20 1.19 -0.97 0.00 2.07 0.12 0.18 116.25 120.04 1jrp h VAL 540 Ca 0.38 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1jrp h VAL 540 Cb 0.03 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1jrp h VAL 540 CO -0.12 0.22 0.63 0.50 0.02 0.00 0.00 177.57 178.82 1jrp h LYS 541 N 0.48 1.20 -0.72 1.57 3.64 0.17 0.38 116.57 123.29 1jrp h LYS 541 Ca 0.13 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1jrp h LYS 541 Cb 0.19 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1jrp h LYS 541 CO -0.01 0.79 0.47 0.22 -2.27 0.00 0.00 179.45 178.66 1jrp h ASP 542 N 1.24 0.81 -0.11 4.20 3.58 0.24 0.18 116.42 126.55 1jrp h ASP 542 Ca 0.38 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.78 1jrp h ASP 542 Cb -0.02 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 1jrp h ASP 542 CO -0.12 0.58 -0.07 0.00 -2.88 0.00 0.00 179.24 176.76 1jrp h ALA 543 N 1.27 0.16 -0.49 -0.78 0.00 0.61 -1.54 119.26 118.49 1jrp h ALA 543 Ca 0.27 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jrp h ALA 543 Cb -0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jrp h ALA 543 CO -0.07 -0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.47 1jrp h GLU 545 N 0.64 0.88 -0.51 0.00 5.08 -0.26 -0.10 114.58 120.31 1jrp h GLU 545 Ca 0.18 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1jrp h GLU 545 Cb -0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1jrp h GLU 545 CO -0.04 0.80 0.30 1.15 -1.00 0.00 0.00 179.01 180.21 1jrp h THR 546 N 0.79 1.16 0.66 1.13 2.02 -0.20 0.63 112.91 119.09 1jrp h THR 546 Ca 0.18 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1jrp h THR 546 Cb 0.29 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1jrp h THR 546 CO -0.01 0.17 -0.32 -0.07 0.37 0.00 0.00 175.52 175.67 1jrp h LEU 547 N 0.68 -0.75 -1.00 2.58 3.38 -0.67 -1.26 115.31 118.27 1jrp h LEU 547 Ca 0.18 0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.55 1jrp h LEU 547 Cb 0.01 0.19 -0.18 0.00 0.09 0.00 0.00 40.66 40.77 1jrp h LEU 547 CO -0.03 -0.53 0.39 -0.09 0.09 0.00 0.00 178.44 178.27 1jrp h ARG 548 N -0.90 0.01 -0.98 1.13 2.43 -0.93 2.09 114.38 117.23 1jrp h ARG 548 Ca -0.09 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1jrp h ARG 548 Cb 0.68 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 1jrp h ARG 548 CO 0.15 0.01 0.65 0.78 -1.51 0.00 0.00 179.97 180.04 1jrp h GLY 549 N 0.01 1.40 1.90 2.80 0.00 -0.12 0.30 103.07 109.35 1jrp h GLY 549 Ca 0.78 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 1jrp h GLY 549 CO -0.81 0.47 -0.63 3.21 0.00 0.00 0.00 176.54 178.78 1jrp h ARG 550 N 1.30 0.10 -0.30 4.80 3.08 0.44 -1.46 114.38 122.34 1jrp h ARG 550 Ca 0.37 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.30 1jrp h ARG 550 Cb -0.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1jrp h ARG 550 CO -0.09 0.70 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.43 1jrp h LEU 551 N 0.07 0.53 -0.22 3.04 3.38 0.79 -2.34 115.31 120.55 1jrp h LEU 551 Ca -0.01 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1jrp h LEU 551 Cb 1.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1jrp h LEU 551 CO 0.09 0.71 0.14 0.00 0.09 0.00 0.00 178.44 179.47 1jrp h ALA 552 N 0.84 0.29 -0.73 1.53 0.00 0.11 0.29 119.26 121.58 1jrp h ALA 552 Ca 0.09 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1jrp h ALA 552 Cb 0.44 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.00 1jrp h ALA 552 CO 0.02 -0.22 -0.26 0.78 0.00 0.00 0.00 179.25 179.57 1jrp h GLY 553 N 0.28 0.29 0.97 0.00 0.00 -1.15 0.58 103.07 104.03 1jrp h GLY 553 Ca 0.08 0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 1jrp h GLY 553 CO -0.02 -0.26 -0.38 -2.75 0.00 0.00 0.00 176.54 173.14 1jrp h PHE 554 N -0.05 -0.97 -0.11 5.60 3.57 0.07 -1.67 116.94 123.37 1jrp h PHE 554 Ca 0.32 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.83 1jrp h PHE 554 Cb 0.56 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 1jrp h PHE 554 CO -0.65 -0.60 0.10 0.28 -2.23 0.00 0.00 178.31 175.22 1jrp h VAL 555 N -1.10 0.73 0.13 1.41 2.07 -0.41 0.07 116.25 119.15 1jrp h VAL 555 Ca -0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1jrp h VAL 555 Cb 0.81 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1jrp h VAL 555 CO 0.18 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.70 1jrp h ALA 556 N 1.91 -0.17 -0.99 1.67 0.00 -0.13 0.21 119.26 121.75 1jrp h ALA 556 Ca 0.05 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1jrp h ALA 556 Cb 0.25 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 1jrp h ALA 556 CO -0.00 -0.25 0.62 0.00 0.00 0.00 0.00 179.25 179.62 1jrp h ALA 557 N -0.30 1.81 -0.11 0.00 0.00 -0.77 1.46 119.26 121.34 1jrp h ALA 557 Ca -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1jrp h ALA 557 Cb 0.54 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jrp h ALA 557 CO 0.03 -0.18 -0.12 -0.09 0.00 0.00 0.00 179.25 178.88 1jrp h ARG 558 N 0.67 0.28 -0.85 0.00 2.43 -0.67 -2.26 114.38 113.98 1jrp h ARG 558 Ca 0.57 -0.15 -0.34 0.00 -0.81 0.00 0.00 59.98 59.24 1jrp h ARG 558 Cb 1.02 0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 30.37 1jrp h ARG 558 CO -0.35 0.70 0.43 0.39 -1.51 0.00 0.00 179.97 179.63 1jrp n GLU 559 N -4.61 3.10 -1.40 0.20 -0.58 0.70 -5.00 120.64 113.05 1jrp n GLU 559 Ca -0.07 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.61 1jrp n GLU 559 Cb 0.35 -2.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 1jrp n GLU 559 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jrp n GLY 560 N -0.58 0.00 0.00 0.62 0.00 0.49 -4.90 105.19 100.82 1jrp n GLY 560 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1jrp n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrp s ALA 562 N -1.01 3.67 0.15 0.00 0.00 -1.26 -4.47 121.76 118.84 1jrp s ALA 562 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 1jrp s ALA 562 Cb 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.56 1jrp s ALA 562 CO 0.00 0.73 1.63 0.00 0.00 0.00 0.00 175.76 178.12 1jrp h ALA 563 N 3.74 -0.10 0.00 0.00 0.00 -1.91 0.32 119.26 121.31 1jrp h ALA 563 Ca -0.48 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1jrp h ALA 563 Cb 1.18 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1jrp h ALA 563 CO 0.65 -0.66 0.00 2.89 0.00 0.00 0.00 179.25 182.14 1jrp n ARG 564 N -5.38 0.36 -0.43 0.00 1.85 -1.26 0.12 116.66 111.92 1jrp n ARG 564 Ca -0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.92 1jrp n ARG 564 Cb 0.29 -1.42 0.26 0.00 -1.05 0.00 0.00 32.46 30.54 1jrp n ARG 564 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1jrp n ASP 565 N -0.92 3.89 -4.80 2.89 8.00 0.11 -4.93 116.55 120.79 1jrp n ASP 565 Ca 0.07 -2.62 -0.38 0.00 0.71 0.00 0.00 54.79 52.57 1jrp n ASP 565 Cb 0.03 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.60 1jrp n ASP 565 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jrp s VAL 566 N -2.13 4.56 -0.06 2.53 1.01 0.12 -4.64 120.40 121.79 1jrp s VAL 566 Ca 0.39 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.76 1jrp s VAL 566 Cb 0.28 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1jrp s VAL 566 CO 0.14 0.41 -0.04 -0.63 0.00 0.00 0.00 175.10 174.97 1jrp s ILE 567 N -1.29 0.61 -0.31 2.22 1.01 0.95 -4.93 121.20 119.47 1jrp s ILE 567 Ca 0.37 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 1jrp s ILE 567 Cb -0.19 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 1jrp s ILE 567 CO 0.22 0.26 0.19 -0.36 0.00 0.00 0.00 174.94 175.26 1jrp s PHE 568 N 1.24 3.20 -0.16 3.97 0.40 -1.26 -1.68 117.98 123.69 1jrp s PHE 568 Ca -0.06 -0.18 -0.28 0.00 -0.60 0.00 0.00 56.93 55.81 1jrp s PHE 568 Cb -0.14 -2.40 0.09 0.00 0.51 0.00 0.00 43.02 41.08 1jrp s PHE 568 CO -0.02 -0.31 0.82 0.34 0.70 0.00 0.00 175.22 176.75 1jrp s ASP 569 N 1.71 -0.58 -1.61 1.36 -1.08 -0.27 -4.47 116.67 111.73 1jrp s ASP 569 Ca 0.06 0.85 -0.14 0.00 -0.52 0.00 0.00 52.55 52.80 1jrp s ASP 569 Cb -0.17 0.76 0.11 0.00 -1.46 0.00 0.00 42.92 42.17 1jrp s ASP 569 CO 0.09 -0.39 0.76 0.00 0.52 0.00 0.00 175.17 176.15 1jrp n ALA 570 N 1.50 -1.41 -1.18 3.66 0.00 -0.92 0.47 120.51 122.62 1jrp n ALA 570 Ca -0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1jrp n ALA 570 Cb 0.57 -3.30 -0.03 0.00 0.00 0.00 0.00 19.45 16.68 1jrp n ALA 570 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrp n GLY 571 N -1.57 0.77 3.17 0.00 0.00 0.12 -4.89 105.19 102.78 1jrp n GLY 571 Ca -0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1jrp n GLY 571 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jrp s GLN 572 N -2.14 1.20 0.01 1.61 -1.52 0.18 -1.38 119.66 117.61 1jrp s GLN 572 Ca 0.00 -0.75 0.05 0.00 -1.95 0.00 0.00 55.36 52.71 1jrp s GLN 572 Cb 0.00 -1.22 -0.03 0.00 -0.22 0.00 0.00 33.01 31.54 1jrp s GLN 572 CO 0.00 0.32 -0.12 0.08 -0.25 0.00 0.00 175.29 175.32 1jrp s VAL 573 N -0.67 3.24 -0.09 1.09 1.01 0.24 -1.11 120.40 124.11 1jrp s VAL 573 Ca 0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1jrp s VAL 573 Cb -0.08 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1jrp s VAL 573 CO 0.01 0.40 0.20 -1.58 0.00 0.00 0.00 175.10 174.13 1jrp s GLN 574 N -1.32 0.16 -0.26 2.72 0.74 -0.68 -0.08 119.66 120.95 1jrp s GLN 574 Ca 0.15 0.45 -0.26 0.00 0.05 0.00 0.00 55.36 55.75 1jrp s GLN 574 Cb -0.11 -0.13 0.12 0.00 1.10 0.00 0.00 33.01 33.99 1jrp s GLN 574 CO 0.06 -0.15 0.99 0.00 -0.55 0.00 0.00 175.29 175.64 1jrp s ALA 575 N 1.14 -1.95 -1.65 1.58 0.00 -0.90 -0.03 121.76 119.95 1jrp s ALA 575 Ca -0.09 1.83 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 1jrp s ALA 575 Cb -0.10 -1.27 0.08 0.00 0.00 0.00 0.00 23.12 21.83 1jrp s ALA 575 CO -0.07 -0.26 0.23 0.43 0.00 0.00 0.00 175.76 176.09 1jrp n SER 576 N 1.98 -0.08 0.00 0.00 7.64 -1.26 -0.76 113.62 121.13 1jrp n SER 576 Ca -0.12 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.51 1jrp n SER 576 Cb 0.56 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1jrp n SER 576 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jrp n GLY 577 N -2.05 2.23 4.01 0.23 0.00 -1.26 -4.99 105.19 103.36 1jrp n GLY 577 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1jrp n GLY 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrp s LYS 578 N 0.00 1.73 0.05 1.61 1.02 0.06 -5.13 119.74 119.08 1jrp s LYS 578 Ca 0.00 -1.35 -0.18 0.00 0.02 0.00 0.00 55.97 54.46 1jrp s LYS 578 Cb 0.00 -2.41 0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1jrp s LYS 578 CO 0.00 -1.39 0.41 -1.54 -0.92 0.00 0.00 175.35 171.91 1jrp s SER 579 N -4.77 -0.28 0.35 2.83 1.04 -1.26 -2.12 113.70 109.49 1jrp s SER 579 Ca 0.66 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 57.12 1jrp s SER 579 Cb -0.04 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1jrp s SER 579 CO 0.44 -0.68 0.21 0.26 0.98 0.00 0.00 173.24 174.45 1jrp s TRP 580 N -2.58 1.73 0.23 5.02 0.51 0.88 -4.96 118.94 119.78 1jrp s TRP 580 Ca -0.05 -1.50 -0.18 0.00 -2.12 0.00 0.00 56.10 52.25 1jrp s TRP 580 Cb -0.01 -0.88 -0.08 0.00 -0.81 0.00 0.00 33.47 31.69 1jrp s TRP 580 CO -0.03 -0.63 0.70 1.03 -0.51 0.00 0.00 176.95 177.51 1jrp s ARG 581 N -3.60 4.19 0.22 4.98 0.52 -1.26 -0.59 118.95 123.41 1jrp s ARG 581 Ca 0.34 0.80 -0.13 0.00 -0.52 0.00 0.00 55.73 56.22 1jrp s ARG 581 Cb 0.03 -2.83 0.28 0.00 0.52 0.00 0.00 34.95 32.94 1jrp s ARG 581 CO 0.21 0.37 1.61 0.35 0.02 0.00 0.00 175.30 177.87 1jrp h PHE 582 N 3.29 -0.39 -0.63 -0.53 3.57 -1.54 0.14 116.94 120.83 1jrp h PHE 582 Ca -0.48 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.21 1jrp h PHE 582 Cb 1.19 0.28 -0.10 0.00 2.79 0.00 0.00 35.95 40.12 1jrp h PHE 582 CO 0.64 -0.31 0.11 0.00 -2.23 0.00 0.00 178.31 176.52 1jrp h ALA 583 N 1.68 0.74 -0.77 2.41 0.00 -1.88 0.07 119.26 121.53 1jrp h ALA 583 Ca 0.34 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1jrp h ALA 583 Cb 0.52 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1jrp h ALA 583 CO -0.73 -0.34 0.31 0.93 0.00 0.00 0.00 179.25 179.42 1jrp h GLU 584 N 0.23 1.14 -0.66 0.00 5.08 -1.19 0.30 114.58 119.48 1jrp h GLU 584 Ca 0.34 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1jrp h GLU 584 Cb 0.54 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1jrp h GLU 584 CO -0.46 0.93 0.38 0.82 -1.00 0.00 0.00 179.01 179.69 1jrp h ILE 585 N 1.11 1.01 -0.54 3.13 1.08 0.54 -2.60 117.51 121.23 1jrp h ILE 585 Ca 0.26 -0.25 -0.08 0.00 -0.39 0.00 0.00 64.86 64.40 1jrp h ILE 585 Cb 0.21 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1jrp h ILE 585 CO -0.02 0.13 0.03 0.58 -0.69 0.00 0.00 178.15 178.18 1jrp h VAL 586 N 0.72 1.26 -0.25 1.67 2.07 0.78 0.14 116.25 122.65 1jrp h VAL 586 Ca 0.29 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1jrp h VAL 586 Cb 0.13 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1jrp h VAL 586 CO -0.16 0.38 0.08 0.00 0.02 0.00 0.00 177.57 177.90 1jrp h ALA 587 N 0.96 0.28 -0.21 1.67 0.00 -0.47 0.16 119.26 121.65 1jrp h ALA 587 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1jrp h ALA 587 Cb 0.49 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1jrp h ALA 587 CO 0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 179.25 178.88 1jrp h ALA 588 N 1.15 0.12 -0.46 0.00 0.00 -0.98 0.11 119.26 119.20 1jrp h ALA 588 Ca 0.11 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1jrp h ALA 588 Cb 0.08 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1jrp h ALA 588 CO -0.11 -0.49 0.31 0.00 0.00 0.00 0.00 179.25 178.96 1jrp h ALA 589 N 1.19 1.83 0.21 0.00 0.00 -0.32 0.64 119.26 122.82 1jrp h ALA 589 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jrp h ALA 589 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jrp h ALA 589 CO -0.23 0.10 -0.10 -0.92 0.00 0.00 0.00 179.25 178.10 1jrp h TYR 590 N 0.48 -0.27 -0.86 0.00 3.20 0.13 -0.85 116.97 118.80 1jrp h TYR 590 Ca 0.19 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1jrp h TYR 590 Cb 0.17 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 1jrp h TYR 590 CO -0.00 -0.16 0.56 0.52 -1.64 0.00 0.00 178.16 177.45 1jrp h MET 591 N -0.30 1.04 0.00 1.82 2.86 0.92 0.68 114.93 121.96 1jrp h MET 591 Ca -0.03 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1jrp h MET 591 Cb 0.23 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1jrp h MET 591 CO 0.05 0.69 0.00 0.00 1.06 0.00 0.00 176.91 178.71 1jrp n ALA 592 N -2.41 2.30 -3.23 6.32 0.00 0.21 -4.88 120.51 118.83 1jrp n ALA 592 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1jrp n ALA 592 Cb 0.10 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.41 1jrp n ALA 592 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jrp n ARG 593 N -0.78 -4.40 -4.17 0.00 1.74 0.24 -5.02 116.66 104.27 1jrp n ARG 593 Ca 0.10 0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 57.63 1jrp n ARG 593 Cb 0.05 -5.55 -0.14 0.00 -1.02 0.00 0.00 32.46 25.79 1jrp n ARG 593 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jrp s ILE 594 N -3.34 3.05 0.19 0.55 1.01 -0.63 -5.04 121.20 116.99 1jrp s ILE 594 Ca 0.18 -0.62 -0.32 0.00 0.00 0.00 0.00 60.65 59.89 1jrp s ILE 594 Cb -0.02 -2.35 -0.16 0.00 0.01 0.00 0.00 42.46 39.95 1jrp s ILE 594 CO 0.67 0.47 1.10 -0.24 0.00 0.00 0.00 174.94 176.95 1jrp n SER 595 N 4.43 1.16 -2.60 3.58 2.88 -1.26 -4.63 113.62 117.18 1jrp n SER 595 Ca -0.19 1.15 -0.31 0.00 -1.33 0.00 0.00 58.87 58.19 1jrp n SER 595 Cb 0.51 -1.20 0.01 0.00 -0.75 0.00 0.00 64.21 62.78 1jrp n SER 595 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jrp n LEU 596 N 1.88 5.66 -3.95 2.46 4.77 -1.26 -4.97 117.00 121.59 1jrp n LEU 596 Ca 0.14 -5.06 -0.12 0.00 -0.03 0.00 0.00 56.01 50.94 1jrp n LEU 596 Cb 0.25 -0.66 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 1jrp n LEU 596 CO 0.61 2.07 -0.38 -0.55 -1.33 0.00 0.00 177.39 177.81 1jrp s SER 597 N -2.74 0.35 0.09 -1.43 0.15 -1.26 -1.19 113.70 107.66 1jrp s SER 597 Ca 0.50 -0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.74 1jrp s SER 597 Cb 0.42 0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1jrp s SER 597 CO -0.25 -0.08 0.45 0.00 1.20 0.00 0.00 173.24 174.55 1jrp s ALA 598 N -0.58 -1.09 0.36 5.45 0.00 -0.79 -4.98 121.76 120.13 1jrp s ALA 598 Ca -0.05 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.23 1jrp s ALA 598 Cb -0.04 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1jrp s ALA 598 CO -0.00 -0.57 0.30 0.95 0.00 0.00 0.00 175.76 176.44 1jrp s THR 599 N -3.11 3.21 0.05 0.00 -4.23 -1.26 -0.44 115.64 109.87 1jrp s THR 599 Ca -0.01 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1jrp s THR 599 Cb 0.00 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1jrp s THR 599 CO -0.07 -0.12 -0.03 -0.83 -0.54 0.00 0.00 174.62 173.03 1jrp s GLY 600 N -4.01 0.44 -0.06 3.99 0.00 0.70 -4.48 107.32 103.90 1jrp s GLY 600 Ca 0.43 -1.10 -0.25 0.00 0.00 0.00 0.00 44.72 43.79 1jrp s GLY 600 CO 0.26 -1.21 0.56 -0.12 0.00 0.00 0.00 173.10 172.60 1jrp s PHE 601 N -3.47 -0.52 0.00 1.90 5.36 -1.26 -1.14 117.98 118.86 1jrp s PHE 601 Ca 0.03 0.93 -0.12 0.00 -0.96 0.00 0.00 56.93 56.81 1jrp s PHE 601 Cb 0.05 0.29 0.01 0.00 -0.34 0.00 0.00 43.02 43.04 1jrp s PHE 601 CO -0.08 -0.51 0.25 -0.47 -1.46 0.00 0.00 175.22 172.95 1jrp s TYR 602 N -1.04 -0.09 -0.04 10.12 5.04 0.69 -4.69 117.35 127.35 1jrp s TYR 602 Ca -0.10 0.07 -0.01 0.00 -2.44 0.00 0.00 57.07 54.59 1jrp s TYR 602 Cb -0.02 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.36 1jrp s TYR 602 CO 0.07 -0.38 0.05 0.00 -1.34 0.00 0.00 175.55 173.95 1jrp s ALA 603 N -1.58 0.23 0.13 3.97 0.00 -1.26 -1.54 121.76 121.71 1jrp s ALA 603 Ca -0.12 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 1jrp s ALA 603 Cb -0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 23.12 22.45 1jrp s ALA 603 CO 0.02 -0.39 1.36 0.99 0.00 0.00 0.00 175.76 177.75 1jrp s THR 604 N 1.88 3.31 0.73 0.00 2.01 -0.72 -4.98 115.64 117.86 1jrp s THR 604 Ca 0.01 0.97 -0.11 0.00 0.31 0.00 0.00 61.69 62.87 1jrp s THR 604 Cb -0.12 -3.62 0.16 0.00 0.01 0.00 0.00 72.50 68.93 1jrp s THR 604 CO -0.03 0.09 0.99 -0.81 -0.69 0.00 0.00 174.62 174.17 1jrp n PRO 605 N 3.65 -0.83 -0.77 4.92 -0.04 -1.26 -4.49 135.00 136.18 1jrp n PRO 605 Ca 0.10 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1jrp n PRO 605 Cb 0.43 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1jrp n PRO 605 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jrp n LYS 606 N -3.06 -1.99 -3.64 0.54 5.02 -1.26 -4.86 118.16 108.91 1jrp n LYS 606 Ca 0.13 0.38 -0.36 0.00 -2.02 0.00 0.00 58.31 56.44 1jrp n LYS 606 Cb 0.45 -4.43 -0.07 0.00 -0.02 0.00 0.00 35.03 30.96 1jrp n LYS 606 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jrp s LEU 607 N 0.00 4.28 -0.29 -0.35 1.43 -1.26 -4.84 118.68 117.66 1jrp s LEU 607 Ca 0.00 0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 53.41 1jrp s LEU 607 Cb 0.00 -2.28 0.12 0.00 0.03 0.00 0.00 46.19 44.07 1jrp s LEU 607 CO 0.00 0.19 0.88 -0.55 0.23 0.00 0.00 176.35 177.11 1jrp s SER 608 N 0.03 -0.65 -0.08 2.29 0.15 0.90 -5.01 113.70 111.34 1jrp s SER 608 Ca 0.15 1.05 -0.30 0.00 0.70 0.00 0.00 55.95 57.55 1jrp s SER 608 Cb -0.13 1.25 0.11 0.00 -1.71 0.00 0.00 66.02 65.55 1jrp s SER 608 CO 0.03 -0.17 0.94 -1.66 1.20 0.00 0.00 173.24 173.58 1jrp s TRP 609 N 1.36 -0.36 -0.25 3.44 1.48 -1.26 0.21 118.94 123.56 1jrp s TRP 609 Ca -0.09 0.41 -0.03 0.00 -1.06 0.00 0.00 56.10 55.34 1jrp s TRP 609 Cb -0.04 0.50 0.02 0.00 -1.16 0.00 0.00 33.47 32.79 1jrp s TRP 609 CO -0.16 -0.45 -0.04 0.34 -4.06 0.00 0.00 176.95 172.58 1jrp s ASP 610 N -1.88 4.41 0.10 -2.66 3.68 0.15 -4.96 116.67 115.51 1jrp s ASP 610 Ca 0.02 -0.79 -0.27 0.00 2.13 0.00 0.00 52.55 53.64 1jrp s ASP 610 Cb -0.01 -1.70 -0.10 0.00 -1.45 0.00 0.00 42.92 39.66 1jrp s ASP 610 CO -0.04 -0.12 1.66 -0.09 0.13 0.00 0.00 175.17 176.71 1jrp h ARG 611 N 8.05 -0.40 -0.47 4.34 2.43 -1.96 0.94 114.38 127.31 1jrp h ARG 611 Ca -0.34 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.76 1jrp h ARG 611 Cb 1.12 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1jrp h ARG 611 CO 0.58 -0.27 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.59 1jrp h LEU 612 N -0.42 0.91 -0.18 3.80 3.38 -1.97 -3.05 115.31 117.77 1jrp h LEU 612 Ca 0.01 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1jrp h LEU 612 Cb 0.42 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jrp h LEU 612 CO -0.09 1.06 -0.07 0.03 0.09 0.00 0.00 178.44 179.46 1jrp h ARG 613 N 0.75 0.00 -2.50 1.13 3.08 -1.90 -3.48 114.38 111.47 1jrp h ARG 613 Ca 0.12 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.94 1jrp h ARG 613 Cb 0.66 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.73 1jrp h ARG 613 CO 0.05 0.07 -0.33 0.41 -1.07 0.00 0.00 179.97 179.09 1jrp n GLY 614 N 0.98 -0.02 3.07 0.04 0.00 0.32 -4.84 105.19 104.73 1jrp n GLY 614 Ca 0.03 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 1jrp n GLY 614 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jrp s GLN 615 N -5.05 0.71 0.00 1.61 -1.52 -0.84 -4.32 119.66 110.25 1jrp s GLN 615 Ca 0.13 -0.56 0.00 0.00 -1.95 0.00 0.00 55.36 52.98 1jrp s GLN 615 Cb -0.06 -0.65 0.00 0.00 -0.22 0.00 0.00 33.01 32.08 1jrp s GLN 615 CO 0.16 0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.78 1jrp n GLY 616 N 2.20 0.41 2.82 3.09 0.00 -0.75 0.33 105.19 113.29 1jrp n GLY 616 Ca -0.17 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1jrp n GLY 616 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jrp s ARG 617 N -2.00 1.51 0.34 1.61 3.52 0.56 -3.69 118.95 120.79 1jrp s ARG 617 Ca 0.00 -2.15 0.23 0.00 -0.13 0.00 0.00 55.73 53.67 1jrp s ARG 617 Cb 0.00 -2.72 0.20 0.00 -1.56 0.00 0.00 34.95 30.86 1jrp s ARG 617 CO 0.00 -1.11 1.38 -1.00 -0.81 0.00 0.00 175.30 173.76 1jrp h PRO 618 N 6.81 0.00 -6.63 5.12 0.13 -1.91 0.26 132.00 135.78 1jrp h PRO 618 Ca -0.05 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.41 1jrp h PRO 618 Cb 0.93 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.87 1jrp h PRO 618 CO 0.56 0.02 -0.78 -0.06 -0.23 0.00 0.00 178.00 177.50 1jrp s PHE 619 N -3.26 2.60 0.07 1.56 2.99 -1.26 -4.80 117.98 115.88 1jrp s PHE 619 Ca 0.04 -0.23 -0.13 0.00 0.00 0.00 0.00 56.93 56.61 1jrp s PHE 619 Cb 0.07 -1.41 -0.26 0.00 0.00 0.00 0.00 43.02 41.42 1jrp s PHE 619 CO 0.72 0.36 1.14 1.25 -0.00 0.00 0.00 175.22 178.69 1jrp h LEU 620 N 3.96 0.86 -7.36 -0.37 5.85 -1.84 -3.48 115.31 112.92 1jrp h LEU 620 Ca -0.49 -0.76 0.06 0.00 0.84 0.00 0.00 57.88 57.54 1jrp h LEU 620 Cb 1.16 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.82 1jrp h LEU 620 CO 0.48 1.56 0.32 -0.72 -0.34 0.00 0.00 178.44 179.74 1jrp s TYR 621 N -3.09 -0.34 0.10 1.25 -0.85 -1.26 -4.94 117.35 108.21 1jrp s TYR 621 Ca -0.09 0.07 0.03 0.00 -0.52 0.00 0.00 57.07 56.56 1jrp s TYR 621 Cb 0.06 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1jrp s TYR 621 CO 0.93 -0.88 0.11 -0.06 -1.52 0.00 0.00 175.55 174.13 1jrp s PHE 622 N -3.59 3.22 -0.10 -3.49 0.40 -1.26 -1.03 117.98 112.14 1jrp s PHE 622 Ca 0.06 0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.46 1jrp s PHE 622 Cb -0.02 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1jrp s PHE 622 CO -0.05 0.53 -0.05 0.00 0.70 0.00 0.00 175.22 176.35 1jrp s ALA 623 N -1.50 3.04 0.30 5.36 0.00 -0.07 -4.87 121.76 124.02 1jrp s ALA 623 Ca 0.30 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.48 1jrp s ALA 623 Cb -0.12 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 1jrp s ALA 623 CO 0.23 0.48 -0.06 0.71 0.00 0.00 0.00 175.76 177.12 1jrp s TYR 624 N -0.50 2.08 0.06 0.00 1.51 -1.26 -1.25 117.35 118.00 1jrp s TYR 624 Ca 0.08 -0.66 -0.27 0.00 -1.01 0.00 0.00 57.07 55.21 1jrp s TYR 624 Cb -0.12 -1.21 0.09 0.00 -0.11 0.00 0.00 41.96 40.61 1jrp s TYR 624 CO 0.02 0.35 1.17 0.20 -1.11 0.00 0.00 175.55 176.18 1jrp s GLY 625 N -3.50 -0.17 0.01 0.71 0.00 -1.05 -0.47 107.32 102.85 1jrp s GLY 625 Ca 0.31 0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.99 1jrp s GLY 625 CO 0.13 2.15 0.42 0.00 0.00 0.00 0.00 173.10 175.81 1jrp s ALA 626 N -2.39 -1.06 -0.01 3.20 0.00 -1.07 -0.65 121.76 119.79 1jrp s ALA 626 Ca 0.20 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 1jrp s ALA 626 Cb 0.01 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1jrp s ALA 626 CO 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 175.76 175.46 1jrp s ALA 627 N -1.85 -0.15 -0.23 0.00 0.00 -0.55 -1.21 121.76 117.77 1jrp s ALA 627 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1jrp s ALA 627 Cb -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.12 1jrp s ALA 627 CO 0.02 -0.09 -0.07 0.42 0.00 0.00 0.00 175.76 176.04 1jrp s ILE 628 N -0.47 1.62 0.02 0.00 1.01 -0.24 -0.85 121.20 122.29 1jrp s ILE 628 Ca -0.05 -1.19 0.04 0.00 0.00 0.00 0.00 60.65 59.44 1jrp s ILE 628 Cb -0.03 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1jrp s ILE 628 CO 0.00 -0.01 -0.07 -0.89 0.00 0.00 0.00 174.94 173.97 1jrp s THR 629 N 1.37 3.62 -0.02 2.92 2.01 -0.64 -0.94 115.64 123.96 1jrp s THR 629 Ca -0.05 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1jrp s THR 629 Cb -0.18 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 1jrp s THR 629 CO -0.07 0.34 -0.19 -0.70 -0.69 0.00 0.00 174.62 173.31 1jrp s GLU 630 N -1.59 1.63 0.30 4.92 2.12 0.37 -0.60 118.70 125.85 1jrp s GLU 630 Ca 0.18 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.84 1jrp s GLU 630 Cb -0.11 -1.53 -0.02 0.00 0.26 0.00 0.00 34.13 32.73 1jrp s GLU 630 CO 0.09 0.38 0.34 0.14 -0.54 0.00 0.00 175.26 175.67 1jrp s VAL 631 N -0.35 0.00 0.01 3.70 -7.23 0.11 0.10 120.40 116.75 1jrp s VAL 631 Ca 0.05 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1jrp s VAL 631 Cb -0.08 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 1jrp s VAL 631 CO -0.00 0.00 -0.07 0.68 -0.31 0.00 0.00 175.10 175.40 1jrp s VAL 632 N -3.49 0.54 0.10 1.32 -7.23 -0.65 -0.56 120.40 110.43 1jrp s VAL 632 Ca 0.35 -0.46 0.08 0.00 -1.81 0.00 0.00 61.98 60.14 1jrp s VAL 632 Cb 0.02 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 1jrp s VAL 632 CO 0.20 0.03 -0.20 0.27 -0.31 0.00 0.00 175.10 175.09 1jrp s ILE 633 N -0.42 1.64 -0.53 -0.62 -4.36 0.05 -1.44 121.20 115.52 1jrp s ILE 633 Ca 0.00 -1.51 -0.18 0.00 -0.26 0.00 0.00 60.65 58.70 1jrp s ILE 633 Cb -0.04 -1.50 0.09 0.00 1.25 0.00 0.00 42.46 42.26 1jrp s ILE 633 CO -0.00 -0.08 0.57 -0.62 0.24 0.00 0.00 174.94 175.05 1jrp s ASP 634 N -1.88 6.19 0.18 4.36 2.15 0.52 -1.37 116.67 126.81 1jrp s ASP 634 Ca 0.05 -1.36 0.07 0.00 0.43 0.00 0.00 52.55 51.74 1jrp s ASP 634 Cb -0.10 -2.25 0.38 0.00 -0.30 0.00 0.00 42.92 40.65 1jrp s ASP 634 CO 0.04 -0.90 1.06 0.54 -0.17 0.00 0.00 175.17 175.74 1jrp n ARG 635 N 5.80 0.05 -0.08 4.34 1.74 0.02 0.73 116.66 129.25 1jrp n ARG 635 Ca -0.10 0.44 -0.12 0.00 -0.77 0.00 0.00 57.85 57.30 1jrp n ARG 635 Cb 0.43 -1.92 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 1jrp n ARG 635 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jrp h LEU 636 N 0.00 0.00 0.00 0.55 3.38 -1.93 -3.43 115.31 113.89 1jrp h LEU 636 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1jrp h LEU 636 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jrp h LEU 636 CO 0.00 1.06 -1.36 0.35 0.09 0.00 0.00 178.44 178.59 1jrp n THR 637 N -4.55 0.00 -0.37 0.22 -2.24 -1.10 -4.97 114.28 101.27 1jrp n THR 637 Ca -0.18 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1jrp n THR 637 Cb 0.44 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1jrp n THR 637 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrp n GLY 638 N 1.41 1.21 3.40 3.38 0.00 0.22 -4.52 105.19 110.30 1jrp n GLY 638 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1jrp n GLY 638 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jrp n GLU 639 N -2.00 0.05 -3.61 1.61 1.02 -1.25 -4.41 120.64 112.05 1jrp n GLU 639 Ca 0.00 0.06 -0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1jrp n GLU 639 Cb 0.00 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.67 1jrp n GLU 639 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jrp s ASN 640 N -1.61 -0.06 0.17 1.62 2.20 -1.26 -0.36 114.94 115.64 1jrp s ASN 640 Ca 0.60 -0.06 -0.24 0.00 -0.94 0.00 0.00 52.86 52.22 1jrp s ASN 640 Cb -0.29 0.11 0.06 0.00 -2.00 0.00 0.00 41.25 39.13 1jrp s ASN 640 CO 0.64 -0.20 0.83 0.00 -2.94 0.00 0.00 177.10 175.43 1jrp s ARG 641 N -2.30 1.34 -0.25 3.55 1.70 -0.52 -5.00 118.95 117.46 1jrp s ARG 641 Ca 0.13 -0.69 -0.23 0.00 -0.47 0.00 0.00 55.73 54.48 1jrp s ARG 641 Cb 0.03 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.89 1jrp s ARG 641 CO -0.04 -0.61 0.74 0.42 -1.08 0.00 0.00 175.30 174.73 1jrp s ILE 642 N -3.52 4.90 -0.09 4.99 1.01 -1.26 -1.63 121.20 125.60 1jrp s ILE 642 Ca 0.09 1.36 -0.17 0.00 0.00 0.00 0.00 60.65 61.94 1jrp s ILE 642 Cb -0.03 -4.03 -0.28 0.00 0.01 0.00 0.00 42.46 38.13 1jrp s ILE 642 CO 0.00 -0.03 0.61 -0.07 0.00 0.00 0.00 174.94 175.45 1jrp h LEU 643 N 9.07 0.40 -7.00 2.97 3.38 0.31 -3.29 115.31 121.14 1jrp h LEU 643 Ca -0.25 -0.87 -0.05 0.00 0.09 0.00 0.00 57.88 56.81 1jrp h LEU 643 Cb 1.11 -0.13 -0.20 0.00 0.09 0.00 0.00 40.66 41.53 1jrp h LEU 643 CO 0.83 1.59 0.16 -0.60 0.09 0.00 0.00 178.44 180.51 1jrp s ARG 644 N -2.47 0.95 0.01 1.13 3.52 -1.04 -1.44 118.95 119.62 1jrp s ARG 644 Ca -0.19 0.62 0.03 0.00 -0.13 0.00 0.00 55.73 56.05 1jrp s ARG 644 Cb 0.04 0.46 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 1jrp s ARG 644 CO 0.78 -0.22 -0.08 0.99 -0.81 0.00 0.00 175.30 175.96 1jrp s THR 645 N -0.43 0.62 -0.06 4.11 2.01 0.12 -0.47 115.64 121.54 1jrp s THR 645 Ca -0.06 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1jrp s THR 645 Cb -0.02 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1jrp s THR 645 CO 0.06 -0.01 -0.06 -1.81 -0.69 0.00 0.00 174.62 172.10 1jrp s ASP 646 N -0.68 1.26 0.05 3.53 1.01 -0.12 -1.66 116.67 120.06 1jrp s ASP 646 Ca -0.01 -0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.15 1jrp s ASP 646 Cb -0.05 -0.56 -0.03 0.00 1.01 0.00 0.00 42.92 43.30 1jrp s ASP 646 CO 0.00 -0.05 -0.20 -0.63 0.21 0.00 0.00 175.17 174.50 1jrp s ILE 647 N 1.00 1.59 -0.26 0.77 1.01 0.16 -1.08 121.20 124.39 1jrp s ILE 647 Ca -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 60.65 59.33 1jrp s ILE 647 Cb -0.14 -1.39 0.09 0.00 0.01 0.00 0.00 42.46 41.02 1jrp s ILE 647 CO -0.00 0.16 0.10 -0.22 0.00 0.00 0.00 174.94 174.98 1jrp s LEU 648 N -1.22 1.06 0.25 2.97 2.96 -0.35 -1.30 118.68 123.05 1jrp s LEU 648 Ca 0.07 -1.21 0.09 0.00 -0.22 0.00 0.00 54.13 52.85 1jrp s LEU 648 Cb -0.09 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 1jrp s LEU 648 CO 0.02 -0.40 -0.00 -2.28 -1.32 0.00 0.00 176.35 172.36 1jrp s HIS 649 N 1.94 2.72 -0.49 5.38 5.65 -0.34 -2.58 115.29 127.57 1jrp s HIS 649 Ca 0.07 -0.21 -0.07 0.00 0.25 0.00 0.00 55.06 55.10 1jrp s HIS 649 Cb -0.16 -1.23 0.13 0.00 -1.18 0.00 0.00 32.58 30.13 1jrp s HIS 649 CO -0.25 0.60 0.34 0.34 -0.65 0.00 0.00 174.74 175.11 1jrp s ASP 650 N -3.52 5.58 -0.46 9.88 2.15 0.38 -0.95 116.67 129.73 1jrp s ASP 650 Ca 0.30 -2.08 0.04 0.00 0.43 0.00 0.00 52.55 51.24 1jrp s ASP 650 Cb -0.07 -1.95 0.64 0.00 -0.30 0.00 0.00 42.92 41.23 1jrp s ASP 650 CO 0.19 -0.61 1.90 0.00 -0.17 0.00 0.00 175.17 176.48 1jrp n ALA 651 N 4.63 5.61 -0.76 3.66 0.00 -1.25 -4.35 120.51 128.04 1jrp n ALA 651 Ca -0.04 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1jrp n ALA 651 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1jrp n ALA 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrp n GLY 652 N -1.12 0.49 3.55 0.00 0.00 -1.26 -1.88 105.19 104.98 1jrp n GLY 652 Ca 0.59 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1jrp n GLY 652 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrp s ALA 653 N -1.76 2.52 0.47 4.61 0.00 -0.00 -3.51 121.76 124.09 1jrp s ALA 653 Ca 0.00 -1.50 -0.21 0.00 0.00 0.00 0.00 51.96 50.24 1jrp s ALA 653 Cb 0.00 -4.37 -0.11 0.00 0.00 0.00 0.00 23.12 18.64 1jrp s ALA 653 CO 0.00 -3.65 0.62 0.45 0.00 0.00 0.00 175.76 173.18 1jrp n SER 654 N 10.31 -0.56 0.11 0.00 2.88 -1.22 -3.82 113.62 121.31 1jrp n SER 654 Ca 0.18 0.88 0.03 0.00 -1.33 0.00 0.00 58.87 58.63 1jrp n SER 654 Cb 0.50 -1.17 -0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1jrp n SER 654 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1jrp h LEU 655 N 0.75 0.00 -6.00 2.46 3.38 -1.92 -3.37 115.31 110.61 1jrp h LEU 655 Ca -0.43 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1jrp h LEU 655 Cb 1.39 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.93 1jrp h LEU 655 CO 0.51 0.43 -0.35 0.21 0.09 0.00 0.00 178.44 179.32 1jrp s ASN 656 N -6.09 -1.53 0.30 -0.43 3.84 -1.26 -2.21 114.94 107.56 1jrp s ASN 656 Ca 0.01 0.11 0.01 0.00 0.21 0.00 0.00 52.86 53.21 1jrp s ASN 656 Cb 0.08 1.96 0.46 0.00 -0.55 0.00 0.00 41.25 43.20 1jrp s ASN 656 CO 0.77 -0.27 1.81 -0.65 -2.79 0.00 0.00 177.10 175.96 1jrp h PRO 657 N 7.86 0.65 0.43 0.43 0.11 -1.81 0.74 132.00 140.41 1jrp h PRO 657 Ca -0.01 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1jrp h PRO 657 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1jrp h PRO 657 CO 0.13 0.68 -0.27 0.00 -0.21 0.00 0.00 178.00 178.32 1jrp h ALA 658 N 1.38 -0.67 -0.32 -0.75 0.00 -1.85 0.36 119.26 117.41 1jrp h ALA 658 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jrp h ALA 658 Cb 0.41 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1jrp h ALA 658 CO 0.02 -0.89 0.20 -0.07 0.00 0.00 0.00 179.25 178.51 1jrp h LEU 659 N -0.67 0.37 -0.41 0.00 3.38 -0.86 -0.40 115.31 116.72 1jrp h LEU 659 Ca -0.05 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1jrp h LEU 659 Cb 0.56 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jrp h LEU 659 CO 0.04 0.27 -0.71 0.44 0.09 0.00 0.00 178.44 178.57 1jrp h ASP 660 N 0.43 0.50 -0.77 -0.43 3.32 0.98 -2.27 116.42 118.17 1jrp h ASP 660 Ca 0.12 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 1jrp h ASP 660 Cb -0.04 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1jrp h ASP 660 CO -0.02 1.06 0.29 0.40 -1.72 0.00 0.00 179.24 179.25 1jrp h ILE 661 N 0.29 1.26 0.00 0.35 1.08 0.14 -0.02 117.51 120.61 1jrp h ILE 661 Ca -0.03 -0.85 -0.05 0.00 -0.39 0.00 0.00 64.86 63.54 1jrp h ILE 661 Cb 1.29 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1jrp h ILE 661 CO 0.12 0.34 -0.25 1.23 -0.69 0.00 0.00 178.15 178.90 1jrp h GLY 662 N 1.15 0.00 0.53 5.37 0.00 -1.06 0.37 103.07 109.43 1jrp h GLY 662 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1jrp h GLY 662 CO -0.02 0.00 -0.12 1.46 0.00 0.00 0.00 176.54 177.86 1jrp h GLN 663 N 0.00 -0.33 -1.00 4.80 1.08 -0.59 -1.69 115.11 117.38 1jrp h GLN 663 Ca -0.00 0.02 0.22 0.00 -1.45 0.00 0.00 58.65 57.44 1jrp h GLN 663 Cb 0.45 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.84 1jrp h GLN 663 CO 0.03 0.03 0.60 0.82 -0.95 0.00 0.00 178.83 179.37 1jrp h ILE 664 N -0.81 0.62 0.43 2.54 2.04 0.25 0.10 117.51 122.69 1jrp h ILE 664 Ca -0.03 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1jrp h ILE 664 Cb 0.51 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1jrp h ILE 664 CO 0.06 0.12 -0.21 -0.33 0.00 0.00 0.00 178.15 177.79 1jrp h GLU 665 N 0.67 -0.56 -0.77 2.37 5.08 -0.09 -1.83 114.58 119.46 1jrp h GLU 665 Ca 0.61 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 59.20 1jrp h GLU 665 Cb 1.05 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1jrp h GLU 665 CO -0.43 -0.37 0.53 0.78 -1.00 0.00 0.00 179.01 178.52 1jrp h GLY 666 N -0.65 0.43 1.19 -3.84 0.00 -0.71 0.19 103.07 99.68 1jrp h GLY 666 Ca -0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 47.33 46.89 1jrp h GLY 666 CO 0.10 0.01 -1.17 0.00 0.00 0.00 0.00 176.54 175.48 1jrp h ALA 667 N 1.64 0.02 0.32 3.60 0.00 -0.71 -0.20 119.26 123.92 1jrp h ALA 667 Ca 0.38 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1jrp h ALA 667 Cb 1.16 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1jrp h ALA 667 CO -0.08 0.66 -0.42 -0.92 0.00 0.00 0.00 179.25 178.49 1jrp h TYR 668 N 0.27 -1.15 -0.63 0.00 3.20 0.22 1.20 116.97 120.08 1jrp h TYR 668 Ca -0.17 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.79 1jrp h TYR 668 Cb 1.85 0.46 -0.11 0.00 1.54 0.00 0.00 36.73 40.47 1jrp h TYR 668 CO 0.12 -0.55 -0.49 0.28 -1.64 0.00 0.00 178.16 175.88 1jrp h VAL 669 N -0.78 0.05 -0.31 1.81 2.07 -1.21 -0.12 116.25 117.75 1jrp h VAL 669 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1jrp h VAL 669 Cb 0.73 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1jrp h VAL 669 CO -0.12 0.00 0.03 -0.61 0.02 0.00 0.00 177.57 176.88 1jrp h GLN 670 N -0.22 0.12 -0.22 1.57 4.15 0.12 0.11 115.11 120.75 1jrp h GLN 670 Ca 0.16 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.63 1jrp h GLN 670 Cb 0.55 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 1jrp h GLN 670 CO -0.73 0.08 -0.20 0.78 -1.93 0.00 0.00 178.83 176.84 1jrp h GLY 671 N 0.12 -0.09 0.13 2.39 0.00 0.30 0.61 103.07 106.54 1jrp h GLY 671 Ca 0.15 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.80 1jrp h GLY 671 CO -0.22 -0.18 -0.12 0.00 0.00 0.00 0.00 176.54 176.01 1jrp h ALA 672 N 0.88 0.24 -0.71 3.60 0.00 0.35 0.51 119.26 124.12 1jrp h ALA 672 Ca 0.13 0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.40 1jrp h ALA 672 Cb 0.40 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1jrp h ALA 672 CO -0.34 -0.47 0.62 0.78 0.00 0.00 0.00 179.25 179.83 1jrp h GLY 673 N -0.03 0.00 2.00 0.00 0.00 0.14 3.19 103.07 108.38 1jrp h GLY 673 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.40 1jrp h GLY 673 CO -0.44 0.00 -0.59 -0.25 0.00 0.00 0.00 176.54 175.26 1jrp h TRP 674 N 0.00 0.00 -0.47 5.60 7.01 0.83 -1.46 115.95 127.47 1jrp h TRP 674 Ca 0.34 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.24 1jrp h TRP 674 Cb 1.57 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 28.58 1jrp h TRP 674 CO 0.00 0.59 0.08 1.28 -2.79 0.00 0.00 178.44 177.60 1jrp n LEU 675 N -3.66 4.88 0.00 0.65 4.77 1.06 -4.66 117.00 120.03 1jrp n LEU 675 Ca -0.01 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 1jrp n LEU 675 Cb 0.63 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1jrp n LEU 675 CO 0.41 0.79 0.00 0.35 -1.33 0.00 0.00 177.39 177.61 1jrp n THR 676 N -0.34 0.00 0.62 -5.08 -2.24 -0.88 -1.90 114.28 104.46 1jrp n THR 676 Ca 0.30 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.15 1jrp n THR 676 Cb 1.11 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 1jrp n THR 676 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jrp n THR 677 N -1.67 0.00 -2.16 4.28 -2.24 -1.20 -2.54 114.28 108.75 1jrp n THR 677 Ca 0.00 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1jrp n THR 677 Cb 0.00 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1jrp n THR 677 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jrp s GLU 678 N -2.01 3.84 -0.04 -0.78 2.02 -0.57 -4.33 118.70 116.84 1jrp s GLU 678 Ca 0.08 1.63 -0.00 0.00 0.02 0.00 0.00 54.97 56.70 1jrp s GLU 678 Cb 0.10 -4.00 0.03 0.00 0.10 0.00 0.00 34.13 30.36 1jrp s GLU 678 CO 0.46 -1.23 0.02 -2.00 0.02 0.00 0.00 175.26 172.52 1jrp s GLU 679 N 4.54 0.23 0.03 1.61 2.12 -1.26 -4.77 118.70 121.20 1jrp s GLU 679 Ca 0.69 0.15 -0.13 0.00 0.36 0.00 0.00 54.97 56.05 1jrp s GLU 679 Cb -0.24 -0.53 -0.06 0.00 0.26 0.00 0.00 34.13 33.56 1jrp s GLU 679 CO 0.28 -0.20 0.40 -0.51 -0.54 0.00 0.00 175.26 174.69 1jrp s LEU 680 N 1.40 4.42 -0.05 2.70 1.43 -1.26 -4.88 118.68 122.44 1jrp s LEU 680 Ca -0.05 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 53.93 1jrp s LEU 680 Cb -0.13 -2.74 0.04 0.00 0.03 0.00 0.00 46.19 43.39 1jrp s LEU 680 CO -0.03 0.27 0.11 -0.69 0.23 0.00 0.00 176.35 176.24 1jrp s VAL 681 N -1.20 -0.06 -0.07 -1.59 1.01 -1.26 -4.97 120.40 112.26 1jrp s VAL 681 Ca 0.27 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1jrp s VAL 681 Cb -0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1jrp s VAL 681 CO 0.15 0.08 -0.16 0.26 0.00 0.00 0.00 175.10 175.43 1jrp s TRP 682 N 1.17 2.68 0.96 5.22 0.51 -1.26 0.17 118.94 128.39 1jrp s TRP 682 Ca -0.09 -0.39 -0.16 0.00 -2.12 0.00 0.00 56.10 53.34 1jrp s TRP 682 Cb -0.12 -1.68 0.23 0.00 -0.81 0.00 0.00 33.47 31.09 1jrp s TRP 682 CO -0.05 0.01 1.13 -0.40 -0.51 0.00 0.00 176.95 177.13 1jrp n ASP 683 N 2.75 -0.58 0.27 2.95 5.75 0.12 -4.83 116.55 122.99 1jrp n ASP 683 Ca -0.17 -1.33 0.15 0.00 -0.01 0.00 0.00 54.79 53.43 1jrp n ASP 683 Cb 0.52 -0.92 0.76 0.00 -1.03 0.00 0.00 41.12 40.46 1jrp n ASP 683 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1jrp h HIS 684 N -1.99 0.00 -0.46 2.11 2.07 -2.01 -0.95 115.15 113.92 1jrp h HIS 684 Ca -0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 1jrp h HIS 684 Cb 1.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1jrp h HIS 684 CO 0.00 0.09 0.00 0.00 -3.07 0.00 0.00 177.93 174.95 1jrp n GLY 686 N 1.01 0.85 3.76 0.00 0.00 -0.36 -4.28 105.19 106.17 1jrp n GLY 686 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1jrp n GLY 686 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jrp s ARG 687 N -0.38 4.49 -0.05 1.61 0.52 -1.26 -4.66 118.95 119.23 1jrp s ARG 687 Ca 0.00 2.00 -0.30 0.00 -0.52 0.00 0.00 55.73 56.91 1jrp s ARG 687 Cb 0.00 -3.15 -0.05 0.00 0.52 0.00 0.00 34.95 32.27 1jrp s ARG 687 CO 0.00 -0.02 1.47 -1.17 0.02 0.00 0.00 175.30 175.60 1jrp s LEU 688 N -1.30 4.29 -0.03 2.53 2.96 -1.26 -0.70 118.68 125.17 1jrp s LEU 688 Ca 0.48 2.09 -0.10 0.00 -0.22 0.00 0.00 54.13 56.38 1jrp s LEU 688 Cb -0.35 -3.55 -0.31 0.00 0.50 0.00 0.00 46.19 42.48 1jrp s LEU 688 CO 0.45 -0.80 0.74 0.24 -1.32 0.00 0.00 176.35 175.66 1jrp h MET 689 N 8.47 0.38 -4.77 1.98 2.86 0.13 -3.41 114.93 120.57 1jrp h MET 689 Ca -0.36 -0.65 -0.71 0.00 -2.06 0.00 0.00 59.70 55.92 1jrp h MET 689 Cb 1.16 0.24 -0.19 0.00 0.06 0.00 0.00 31.60 32.87 1jrp h MET 689 CO 0.93 1.29 0.69 0.95 1.06 0.00 0.00 176.91 181.83 1jrp s THR 690 N -2.59 4.92 -0.43 2.22 -4.23 -1.15 -4.84 115.64 109.55 1jrp s THR 690 Ca -0.14 -1.78 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1jrp s THR 690 Cb 0.06 -4.72 0.34 0.00 1.34 0.00 0.00 72.50 69.52 1jrp s THR 690 CO 0.86 -1.41 0.77 0.00 -0.54 0.00 0.00 174.62 174.30 1jrp n HIS 691 N 5.99 1.12 0.00 3.99 1.44 -1.26 -4.77 115.22 121.72 1jrp n HIS 691 Ca 0.22 -3.85 0.00 0.00 -2.01 0.00 0.00 57.72 52.08 1jrp n HIS 691 Cb 0.49 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 30.16 1jrp n HIS 691 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1jrp n ALA 692 N 0.25 0.00 -0.02 1.59 0.00 -1.26 -4.58 120.51 116.49 1jrp n ALA 692 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.71 1jrp n ALA 692 Cb 0.58 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.34 1jrp n ALA 692 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jrp h PRO 693 N 0.00 0.58 0.00 0.00 0.11 -1.98 0.37 132.00 131.08 1jrp h PRO 693 Ca 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1jrp h PRO 693 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1jrp h PRO 693 CO 0.00 0.53 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 1jrp n SER 694 N -4.33 0.43 0.00 -2.05 3.41 -1.26 -3.02 113.62 106.81 1jrp n SER 694 Ca 0.02 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1jrp n SER 694 Cb 0.19 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1jrp n SER 694 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jrp n THR 695 N -2.07 0.00 -4.19 6.66 -2.24 0.97 -4.98 114.28 108.42 1jrp n THR 695 Ca -0.01 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1jrp n THR 695 Cb 0.04 0.93 -0.13 0.00 -2.10 0.00 0.00 70.33 69.06 1jrp n THR 695 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jrp s TYR 696 N -0.59 2.96 -0.35 4.78 5.04 0.73 -4.87 117.35 125.05 1jrp s TYR 696 Ca 0.00 -0.66 0.02 0.00 -2.44 0.00 0.00 57.07 53.98 1jrp s TYR 696 Cb 0.00 -2.03 0.10 0.00 0.35 0.00 0.00 41.96 40.38 1jrp s TYR 696 CO 0.00 -0.33 0.07 0.15 -1.34 0.00 0.00 175.55 174.10 1jrp s LYS 697 N 0.97 1.74 0.56 4.97 3.01 -1.26 -4.30 119.74 125.43 1jrp s LYS 697 Ca 0.00 -1.78 -0.06 0.00 -1.01 0.00 0.00 55.97 53.12 1jrp s LYS 697 Cb -0.15 -3.28 -0.01 0.00 -1.01 0.00 0.00 37.83 33.39 1jrp s LYS 697 CO 0.01 -0.92 0.88 0.96 0.51 0.00 0.00 175.35 176.78 1jrp s ILE 698 N 1.00 4.19 -0.30 2.17 -4.36 -1.26 -3.82 121.20 118.82 1jrp s ILE 698 Ca 0.08 0.16 -0.42 0.00 -0.26 0.00 0.00 60.65 60.20 1jrp s ILE 698 Cb -0.20 -3.64 -0.17 0.00 1.25 0.00 0.00 42.46 39.70 1jrp s ILE 698 CO -0.06 -0.67 1.62 -2.65 0.24 0.00 0.00 174.94 173.42 1jrp n PRO 699 N -2.49 0.70 -3.55 0.37 -0.02 -1.26 -4.95 135.00 123.80 1jrp n PRO 699 Ca 0.03 0.26 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 1jrp n PRO 699 Cb 0.56 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1jrp n PRO 699 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jrp s ALA 700 N 2.89 3.76 0.13 3.55 0.00 -1.26 -4.90 121.76 125.93 1jrp s ALA 700 Ca 0.99 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 1jrp s ALA 700 Cb -1.21 -2.01 0.13 0.00 0.00 0.00 0.00 23.12 20.02 1jrp s ALA 700 CO 0.69 0.08 0.91 0.34 0.00 0.00 0.00 175.76 177.78 1jrp n PHE 701 N -1.60 -0.00 1.11 0.00 7.35 -1.26 0.46 117.46 123.52 1jrp n PHE 701 Ca -0.06 0.73 0.09 0.00 -0.76 0.00 0.00 57.45 57.44 1jrp n PHE 701 Cb 0.56 -0.71 0.50 0.00 0.35 0.00 0.00 39.48 40.19 1jrp n PHE 701 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1jrp n SER 702 N -4.86 0.00 -0.76 -2.13 3.41 -1.26 -1.51 113.62 106.51 1jrp n SER 702 Ca 0.06 -0.58 0.10 0.00 -0.26 0.00 0.00 58.87 58.19 1jrp n SER 702 Cb 0.23 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.48 1jrp n SER 702 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jrp n ASP 703 N -0.98 2.27 -4.75 4.04 8.00 1.64 -4.85 116.55 121.92 1jrp n ASP 703 Ca 0.13 -1.84 -0.37 0.00 0.71 0.00 0.00 54.79 53.42 1jrp n ASP 703 Cb 0.06 -0.17 0.03 0.00 -0.02 0.00 0.00 41.12 41.01 1jrp n ASP 703 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jrp s ARG 704 N -1.65 3.19 0.39 -1.24 1.70 -0.57 -4.77 118.95 116.00 1jrp s ARG 704 Ca 0.34 1.99 -0.27 0.00 -0.47 0.00 0.00 55.73 57.31 1jrp s ARG 704 Cb 0.19 -2.16 -0.09 0.00 -0.57 0.00 0.00 34.95 32.31 1jrp s ARG 704 CO 0.27 -1.07 1.37 -2.14 -1.08 0.00 0.00 175.30 172.64 1jrp s PRO 705 N -3.02 4.04 0.34 3.89 0.02 -1.26 -4.88 135.00 134.13 1jrp s PRO 705 Ca 0.72 2.31 0.14 0.00 0.02 0.00 0.00 61.00 64.19 1jrp s PRO 705 Cb -0.34 -2.86 0.60 0.00 0.02 0.00 0.00 34.50 31.92 1jrp s PRO 705 CO 0.39 -0.49 1.73 0.00 -0.33 0.00 0.00 177.00 178.31 1jrp h ARG 706 N 2.85 0.00 -4.61 5.54 2.47 -1.31 -3.37 114.38 115.94 1jrp h ARG 706 Ca -0.50 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.64 1jrp h ARG 706 Cb 1.24 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.21 1jrp h ARG 706 CO 0.63 0.46 -0.83 0.42 0.56 0.00 0.00 179.97 181.21 1jrp s ILE 707 N -3.81 1.46 -0.47 2.04 1.01 -0.86 -5.00 121.20 115.57 1jrp s ILE 707 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1jrp s ILE 707 Cb 0.13 -1.37 0.14 0.00 0.01 0.00 0.00 42.46 41.37 1jrp s ILE 707 CO 0.72 0.44 0.27 0.12 0.00 0.00 0.00 174.94 176.49 1jrp s PHE 708 N 1.38 2.18 -0.26 3.97 5.99 -1.26 0.15 117.98 130.14 1jrp s PHE 708 Ca 0.02 -2.57 -0.08 0.00 0.00 0.00 0.00 56.93 54.30 1jrp s PHE 708 Cb -0.13 -2.00 -0.03 0.00 0.00 0.00 0.00 43.02 40.86 1jrp s PHE 708 CO -0.08 -0.76 0.10 -0.80 -0.00 0.00 0.00 175.22 173.68 1jrp s ASN 709 N 0.13 5.31 -0.08 6.13 0.01 -0.66 -5.02 114.94 120.76 1jrp s ASN 709 Ca 0.19 -0.20 0.04 0.00 -0.71 0.00 0.00 52.86 52.18 1jrp s ASN 709 Cb -0.21 -1.96 -0.00 0.00 0.41 0.00 0.00 41.25 39.49 1jrp s ASN 709 CO -0.02 -0.05 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.62 1jrp s VAL 710 N 1.64 1.80 -0.00 1.60 1.01 -1.26 0.41 120.40 125.59 1jrp s VAL 710 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1jrp s VAL 710 Cb -0.15 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1jrp s VAL 710 CO 0.05 0.50 0.25 0.00 0.00 0.00 0.00 175.10 175.91 1jrp s ALA 711 N 0.25 -0.62 0.04 5.51 0.00 -0.42 -4.95 121.76 121.57 1jrp s ALA 711 Ca -0.13 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 1jrp s ALA 711 Cb -0.16 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1jrp s ALA 711 CO 0.06 -0.26 0.27 -0.51 0.00 0.00 0.00 175.76 175.32 1jrp s LEU 712 N -1.41 4.35 -0.20 0.00 1.43 -1.26 -1.20 118.68 120.38 1jrp s LEU 712 Ca -0.13 0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 53.21 1jrp s LEU 712 Cb -0.06 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 1jrp s LEU 712 CO 0.03 0.20 0.83 0.86 0.23 0.00 0.00 176.35 178.50 1jrp s TRP 713 N -1.41 3.37 -0.64 0.29 -0.11 -0.12 -4.87 118.94 115.45 1jrp s TRP 713 Ca 0.31 1.19 -0.08 0.00 1.22 0.00 0.00 56.10 58.75 1jrp s TRP 713 Cb -0.13 -3.03 0.17 0.00 -1.50 0.00 0.00 33.47 28.98 1jrp s TRP 713 CO 0.20 -0.31 0.51 0.34 -4.62 0.00 0.00 176.95 173.07 1jrp s ASP 714 N 1.24 5.84 -0.01 5.86 2.15 -1.26 -3.91 116.67 126.58 1jrp s ASP 714 Ca 0.36 -2.53 -0.00 0.00 0.43 0.00 0.00 52.55 50.81 1jrp s ASP 714 Cb -0.16 -2.01 0.01 0.00 -0.30 0.00 0.00 42.92 40.47 1jrp s ASP 714 CO 0.10 -0.53 0.02 -1.10 -0.17 0.00 0.00 175.17 173.49 1jrp s GLN 715 N 0.42 -0.01 0.85 4.34 -0.21 -1.23 -4.97 119.66 118.85 1jrp s GLN 715 Ca 0.14 0.08 -0.12 0.00 0.02 0.00 0.00 55.36 55.48 1jrp s GLN 715 Cb -0.19 -0.09 0.11 0.00 1.00 0.00 0.00 33.01 33.83 1jrp s GLN 715 CO -0.04 -0.07 1.18 -2.14 -2.12 0.00 0.00 175.29 172.10 1jrp s PRO 716 N 0.42 1.39 0.16 2.91 0.02 -1.26 -2.53 135.00 136.11 1jrp s PRO 716 Ca -0.03 1.68 -0.25 0.00 0.02 0.00 0.00 61.00 62.41 1jrp s PRO 716 Cb -0.05 -1.76 -0.08 0.00 0.02 0.00 0.00 34.50 32.63 1jrp s PRO 716 CO -0.01 -2.38 0.77 1.21 -0.33 0.00 0.00 177.00 176.25 1jrp s ASN 717 N -2.36 7.38 0.16 2.53 3.84 -1.11 -4.78 114.94 120.61 1jrp s ASN 717 Ca 0.71 1.63 -0.14 0.00 0.21 0.00 0.00 52.86 55.27 1jrp s ASN 717 Cb -0.26 -2.50 0.05 0.00 -0.55 0.00 0.00 41.25 37.99 1jrp s ASN 717 CO 0.53 0.21 1.80 0.03 -2.79 0.00 0.00 177.10 176.88 1jrp h ARG 718 N 4.35 0.68 -7.35 0.43 3.08 -1.93 -3.43 114.38 110.21 1jrp h ARG 718 Ca -0.47 -0.06 -0.51 0.00 0.07 0.00 0.00 59.98 59.01 1jrp h ARG 718 Cb 1.21 -0.14 0.10 0.00 0.08 0.00 0.00 29.97 31.21 1jrp h ARG 718 CO 0.66 0.50 0.37 -1.21 -1.07 0.00 0.00 179.97 179.21 1jrp s GLU 719 N -5.99 2.84 -1.40 0.04 0.41 -1.26 -4.95 118.70 108.39 1jrp s GLU 719 Ca -0.13 0.91 -0.12 0.00 -0.41 0.00 0.00 54.97 55.22 1jrp s GLU 719 Cb 0.12 -1.98 0.08 0.00 -1.78 0.00 0.00 34.13 30.57 1jrp s GLU 719 CO 0.75 -1.16 2.12 0.39 -0.49 0.00 0.00 175.26 176.87 1jrp n GLU 720 N -3.16 3.17 -3.73 1.61 1.02 -1.26 -4.81 120.64 113.48 1jrp n GLU 720 Ca 0.07 -2.94 -0.20 0.00 -0.02 0.00 0.00 57.16 54.07 1jrp n GLU 720 Cb 0.54 -3.14 -0.01 0.00 -0.02 0.00 0.00 31.44 28.81 1jrp n GLU 720 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1jrp s THR 721 N 2.09 4.62 -0.45 2.62 -4.23 -1.26 -4.96 115.64 114.07 1jrp s THR 721 Ca 0.45 -1.02 -0.44 0.00 -1.18 0.00 0.00 61.69 59.50 1jrp s THR 721 Cb 0.13 -3.61 -0.18 0.00 1.34 0.00 0.00 72.50 70.17 1jrp s THR 721 CO -0.05 -0.24 1.84 0.00 -0.54 0.00 0.00 174.62 175.62 1jrp n ILE 722 N -1.51 0.08 -2.52 2.99 0.13 -1.26 0.12 119.36 117.38 1jrp n ILE 722 Ca -0.04 -0.03 -0.10 0.00 -1.10 0.00 0.00 62.75 61.48 1jrp n ILE 722 Cb 0.58 -0.74 -0.00 0.00 -0.84 0.00 0.00 39.64 38.63 1jrp n ILE 722 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1jrp n PHE 723 N 5.81 -1.60 -2.75 9.51 3.01 -1.26 0.33 117.46 130.52 1jrp n PHE 723 Ca 0.38 0.03 -0.21 0.00 1.01 0.00 0.00 57.45 58.66 1jrp n PHE 723 Cb 0.01 -2.27 0.01 0.00 -0.01 0.00 0.00 39.48 37.22 1jrp n PHE 723 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1jrp n ARG 724 N -2.77 -3.27 -2.41 -1.08 5.12 0.32 -4.63 116.66 107.94 1jrp n ARG 724 Ca -0.10 0.88 -0.25 0.00 -1.93 0.00 0.00 57.85 56.45 1jrp n ARG 724 Cb 0.58 -5.63 0.12 0.00 -1.16 0.00 0.00 32.46 26.37 1jrp n ARG 724 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1jrp s SER 725 N -2.38 4.15 0.06 0.55 1.04 0.15 -0.82 113.70 116.45 1jrp s SER 725 Ca 0.16 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.50 1jrp s SER 725 Cb -0.08 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 1jrp s SER 725 CO 0.20 -2.00 -0.10 -0.54 0.98 0.00 0.00 173.24 171.78 1jrp s LYS 726 N -5.30 0.67 0.62 4.02 1.02 -0.79 -4.73 119.74 115.24 1jrp s LYS 726 Ca 0.67 -0.88 -0.16 0.00 0.02 0.00 0.00 55.97 55.62 1jrp s LYS 726 Cb -0.06 -0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 36.73 1jrp s LYS 726 CO 0.46 0.10 1.09 0.00 -0.92 0.00 0.00 175.35 176.08 1jrp s ALA 727 N -1.49 2.60 0.00 5.17 0.00 -1.26 -4.63 121.76 122.14 1jrp s ALA 727 Ca -0.05 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1jrp s ALA 727 Cb -0.09 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1jrp s ALA 727 CO 0.01 -1.03 0.58 1.55 0.00 0.00 0.00 175.76 176.87 1jrp n VAL 728 N -2.10 0.00 0.05 0.00 3.14 -1.26 -4.88 118.33 113.29 1jrp n VAL 728 Ca 0.10 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.29 1jrp n VAL 728 Cb 0.52 0.63 -0.14 0.00 -1.06 0.00 0.00 33.84 33.78 1jrp n VAL 728 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1jrp h GLY 729 N 0.00 0.32 0.00 7.55 0.00 -1.92 -3.41 103.07 105.61 1jrp h GLY 729 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 47.33 46.09 1jrp h GLY 729 CO 0.00 0.72 -2.33 1.18 0.00 0.00 0.00 176.54 176.11 1jrp n GLU 730 N -3.47 0.58 -0.39 4.80 1.02 -1.26 -4.59 120.64 117.33 1jrp n GLU 730 Ca -0.21 0.28 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1jrp n GLU 730 Cb 1.06 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.88 1jrp n GLU 730 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1jrp n PRO 731 N -4.28 -0.41 -0.42 3.49 -0.02 -1.26 0.26 135.00 132.36 1jrp n PRO 731 Ca -0.50 1.42 0.36 0.00 -2.02 0.00 0.00 63.50 62.76 1jrp n PRO 731 Cb 0.84 -2.09 0.63 0.00 -0.02 0.00 0.00 33.50 32.86 1jrp n PRO 731 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1jrp h PRO 732 N 0.00 0.06 -0.51 0.52 0.13 -1.82 1.22 132.00 131.59 1jrp h PRO 732 Ca 0.15 -0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.36 1jrp h PRO 732 Cb 0.38 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.47 1jrp h PRO 732 CO -0.87 0.04 0.35 0.35 -0.23 0.00 0.00 178.00 177.64 1jrp h PHE 733 N 0.06 0.34 0.00 1.56 3.57 0.33 0.79 116.94 123.59 1jrp h PHE 733 Ca 0.84 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.35 1jrp h PHE 733 Cb 2.52 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 41.15 1jrp h PHE 733 CO -0.01 0.17 0.00 1.28 -2.23 0.00 0.00 178.31 177.52 1jrp n LEU 734 N -4.47 0.12 0.07 0.59 4.32 0.42 -1.66 117.00 116.39 1jrp n LEU 734 Ca 0.08 0.54 0.07 0.00 -0.02 0.00 0.00 56.01 56.67 1jrp n LEU 734 Cb 0.34 -0.53 0.31 0.00 -1.62 0.00 0.00 43.42 41.93 1jrp n LEU 734 CO 0.34 -0.39 0.70 0.18 -1.22 0.00 0.00 177.39 177.00 1jrp n LEU 735 N -1.64 0.27 -0.13 2.23 4.77 0.28 -1.97 117.00 120.80 1jrp n LEU 735 Ca 0.02 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1jrp n LEU 735 Cb 0.13 -0.60 0.48 0.00 -2.33 0.00 0.00 43.42 41.10 1jrp n LEU 735 CO 0.11 -0.58 1.20 1.23 -1.33 0.00 0.00 177.39 178.02 1jrp h GLY 736 N 0.94 0.69 -0.05 -0.72 0.00 -1.50 -2.11 103.07 100.33 1jrp h GLY 736 Ca 0.00 -0.19 0.22 0.00 0.00 0.00 0.00 47.33 47.36 1jrp h GLY 736 CO 0.00 0.09 0.56 -2.22 0.00 0.00 0.00 176.54 174.97 1jrp h ILE 737 N 0.45 0.59 -0.74 2.60 2.04 -1.64 0.98 117.51 121.79 1jrp h ILE 737 Ca 0.33 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 66.11 1jrp h ILE 737 Cb 0.66 -0.07 -0.14 0.00 -0.74 0.00 0.00 36.82 36.53 1jrp h ILE 737 CO -0.10 0.11 -0.31 0.77 0.00 0.00 0.00 178.15 178.62 1jrp h SER 738 N 0.61 -1.12 -0.80 1.72 4.64 -1.60 0.52 113.55 117.51 1jrp h SER 738 Ca 0.60 0.25 0.09 0.00 -0.47 0.00 0.00 61.79 62.27 1jrp h SER 738 Cb 1.06 0.60 -0.07 0.00 -0.31 0.00 0.00 62.40 63.68 1jrp h SER 738 CO -0.45 -0.29 0.45 0.00 -0.87 0.00 0.00 176.83 175.67 1jrp h ALA 739 N 1.30 1.14 0.39 5.18 0.00 0.82 0.48 119.26 128.56 1jrp h ALA 739 Ca 0.30 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1jrp h ALA 739 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jrp h ALA 739 CO -0.79 0.07 -0.19 0.35 0.00 0.00 0.00 179.25 178.69 1jrp h PHE 740 N 0.76 -0.48 -0.94 0.00 3.57 -0.76 -0.49 116.94 118.60 1jrp h PHE 740 Ca 0.39 -0.01 0.28 0.00 3.53 0.00 0.00 57.97 62.16 1jrp h PHE 740 Cb 0.36 0.16 -0.16 0.00 2.79 0.00 0.00 35.95 39.11 1jrp h PHE 740 CO -0.07 -0.17 0.28 -0.07 -2.23 0.00 0.00 178.31 176.05 1jrp h LEU 741 N -0.79 0.01 -0.32 0.59 4.07 0.21 0.52 115.31 119.60 1jrp h LEU 741 Ca -0.05 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 1jrp h LEU 741 Cb 0.53 0.30 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 1jrp h LEU 741 CO 0.09 -0.24 0.07 0.00 -1.08 0.00 0.00 178.44 177.28 1jrp h ALA 742 N 1.87 0.42 -0.97 1.53 0.00 0.19 0.15 119.26 122.45 1jrp h ALA 742 Ca 0.63 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.45 1jrp h ALA 742 Cb 1.38 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1jrp h ALA 742 CO -0.73 0.09 0.61 1.25 0.00 0.00 0.00 179.25 180.48 1jrp h LEU 743 N 0.36 0.94 -0.83 0.00 5.85 0.16 0.53 115.31 122.32 1jrp h LEU 743 Ca 0.10 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1jrp h LEU 743 Cb 0.31 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1jrp h LEU 743 CO 0.00 0.56 -0.57 -0.74 -0.34 0.00 0.00 178.44 177.35 1jrp h HIS 744 N 1.05 0.05 -0.74 1.25 -0.00 -0.16 -2.63 115.15 113.97 1jrp h HIS 744 Ca 0.45 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.77 1jrp h HIS 744 Cb 0.31 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 1jrp h HIS 744 CO -0.01 0.60 0.36 0.22 -0.00 0.00 0.00 177.93 179.10 1jrp h ASP 745 N 0.03 0.96 0.58 3.26 3.58 0.29 -0.75 116.42 124.37 1jrp h ASP 745 Ca -0.01 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 1jrp h ASP 745 Cb 1.02 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1jrp h ASP 745 CO 0.08 0.82 -0.46 0.00 -2.88 0.00 0.00 179.24 176.80 1jrp h ALA 746 N 1.18 -1.09 -0.87 -0.78 0.00 -1.03 -2.23 119.26 114.44 1jrp h ALA 746 Ca 0.25 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1jrp h ALA 746 Cb 0.11 0.62 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 1jrp h ALA 746 CO -0.03 -1.14 -0.43 0.00 0.00 0.00 0.00 179.25 177.65 1jrp h ALA 748 N 1.04 1.11 0.00 0.00 0.00 -0.65 0.35 119.26 121.11 1jrp h ALA 748 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jrp h ALA 748 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jrp h ALA 748 CO -0.89 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 178.34 1jrp n ALA 749 N -2.11 2.16 0.79 0.00 0.00 0.12 -3.51 120.51 117.97 1jrp n ALA 749 Ca -0.03 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1jrp n ALA 749 Cb 0.09 -1.41 0.31 0.00 0.00 0.00 0.00 19.45 18.44 1jrp n ALA 749 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jrp s GLY 751 N -3.32 -0.20 0.00 0.00 0.00 -1.23 -4.55 107.32 98.02 1jrp s GLY 751 Ca 0.10 0.21 0.22 0.00 0.00 0.00 0.00 44.72 45.24 1jrp s GLY 751 CO 0.66 3.85 1.51 -1.55 0.00 0.00 0.00 173.10 177.57 1jrp n PRO 752 N -0.77 2.70 -3.71 2.90 -0.05 -1.16 -4.84 135.00 130.08 1jrp n PRO 752 Ca -0.00 -2.59 -0.31 0.00 -0.05 0.00 0.00 63.50 60.55 1jrp n PRO 752 Cb 0.60 -1.55 -0.05 0.00 -0.05 0.00 0.00 33.50 32.45 1jrp n PRO 752 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 1jrp s HIS 753 N -1.06 3.48 -0.36 0.54 3.76 -0.91 -5.02 115.29 115.72 1jrp s HIS 753 Ca 0.46 0.51 -0.28 0.00 -0.15 0.00 0.00 55.06 55.61 1jrp s HIS 753 Cb 0.25 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1jrp s HIS 753 CO 0.32 0.46 2.06 -0.46 -0.85 0.00 0.00 174.74 176.27 1jrp s TRP 754 N -1.64 1.44 -0.04 1.40 -0.11 -1.26 -4.37 118.94 114.35 1jrp s TRP 754 Ca 0.40 0.79 0.25 0.00 1.22 0.00 0.00 56.10 58.76 1jrp s TRP 754 Cb -0.12 -3.96 1.37 0.00 -1.50 0.00 0.00 33.47 29.26 1jrp s TRP 754 CO 0.25 -3.18 1.77 -1.00 -4.62 0.00 0.00 176.95 170.17 1jrp h PRO 755 N 15.11 0.00 -6.88 5.86 0.13 -1.89 -3.43 132.00 140.91 1jrp h PRO 755 Ca -0.33 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.22 1jrp h PRO 755 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1jrp h PRO 755 CO 1.05 0.00 -0.96 -3.47 -0.23 0.00 0.00 178.00 174.39 1jrp n ASP 756 N -2.39 -0.73 -4.76 1.44 2.03 -1.26 -4.40 116.55 106.47 1jrp n ASP 756 Ca -0.02 -1.21 -0.41 0.00 0.52 0.00 0.00 54.79 53.67 1jrp n ASP 756 Cb 0.05 -2.03 -0.02 0.00 -0.72 0.00 0.00 41.12 38.41 1jrp n ASP 756 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1jrp s LEU 757 N -7.26 4.38 0.29 -2.67 2.96 -1.26 -4.88 118.68 110.24 1jrp s LEU 757 Ca 0.13 2.79 0.06 0.00 -0.22 0.00 0.00 54.13 56.89 1jrp s LEU 757 Cb -0.07 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 1jrp s LEU 757 CO 0.96 -0.70 0.41 -1.10 -1.32 0.00 0.00 176.35 174.60 1jrp s GLN 758 N -1.35 3.26 -0.11 1.98 -1.52 -1.26 -4.90 119.66 115.76 1jrp s GLN 758 Ca 0.54 -0.90 -0.01 0.00 -1.95 0.00 0.00 55.36 53.04 1jrp s GLN 758 Cb -0.43 -2.84 -0.03 0.00 -0.22 0.00 0.00 33.01 29.50 1jrp s GLN 758 CO 0.52 0.25 -0.08 0.00 -0.25 0.00 0.00 175.29 175.74 1jrp s ALA 759 N -2.08 2.89 -0.05 6.09 0.00 -0.79 -2.10 121.76 125.72 1jrp s ALA 759 Ca 0.39 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 1jrp s ALA 759 Cb -0.09 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1jrp s ALA 759 CO 0.30 0.38 0.70 -1.25 0.00 0.00 0.00 175.76 175.89 1jrp s PRO 760 N -0.15 4.44 0.00 0.00 0.04 -1.26 -2.72 135.00 135.34 1jrp s PRO 760 Ca 0.01 0.90 -0.06 0.00 0.04 0.00 0.00 61.00 61.89 1jrp s PRO 760 Cb -0.13 -3.43 -0.08 0.00 0.04 0.00 0.00 34.50 30.90 1jrp s PRO 760 CO 0.03 0.11 0.94 0.00 0.04 0.00 0.00 177.00 178.12 1jrp n ALA 761 N 3.61 0.76 -0.70 8.56 0.00 -0.80 -4.71 120.51 127.22 1jrp n ALA 761 Ca -0.02 -0.59 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 1jrp n ALA 761 Cb 0.51 -2.25 0.24 0.00 0.00 0.00 0.00 19.45 17.96 1jrp n ALA 761 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jrp s THR 762 N 4.70 1.90 0.13 0.00 -4.23 -1.05 -4.56 115.64 112.53 1jrp s THR 762 Ca 0.14 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.46 1jrp s THR 762 Cb 0.03 -2.19 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 1jrp s THR 762 CO 0.07 0.00 1.72 -0.65 -0.54 0.00 0.00 174.62 175.22 1jrp h PRO 763 N -2.58 0.07 -0.50 3.99 0.11 -1.85 0.40 132.00 131.64 1jrp h PRO 763 Ca -0.58 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.60 1jrp h PRO 763 Cb 1.34 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.33 1jrp h PRO 763 CO 0.50 0.04 -0.45 1.49 -0.21 0.00 0.00 178.00 179.37 1jrp h GLU 764 N 0.07 -0.27 -0.84 1.05 4.81 -1.88 1.39 114.58 118.92 1jrp h GLU 764 Ca 0.11 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.52 1jrp h GLU 764 Cb 0.15 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1jrp h GLU 764 CO -0.19 -0.18 0.55 0.00 -0.73 0.00 0.00 179.01 178.46 1jrp h ALA 765 N 0.48 2.02 -0.09 2.92 0.00 -1.42 -0.34 119.26 122.83 1jrp h ALA 765 Ca 0.15 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1jrp h ALA 765 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1jrp h ALA 765 CO -0.64 -0.25 -0.22 0.28 0.00 0.00 0.00 179.25 178.41 1jrp h VAL 766 N 0.52 1.41 -0.89 0.00 2.07 0.59 -2.09 116.25 117.86 1jrp h VAL 766 Ca 0.42 -1.55 0.08 0.00 0.82 0.00 0.00 66.70 66.47 1jrp h VAL 766 Cb 0.86 2.19 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 1jrp h VAL 766 CO -0.17 0.45 0.58 0.25 0.02 0.00 0.00 177.57 178.70 1jrp h LEU 767 N -0.16 0.84 -0.59 2.57 5.85 0.64 0.34 115.31 124.81 1jrp h LEU 767 Ca -0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1jrp h LEU 767 Cb 0.83 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1jrp h LEU 767 CO 0.05 0.52 0.18 0.00 -0.34 0.00 0.00 178.44 178.85 1jrp h ALA 768 N 1.54 0.77 0.00 1.25 0.00 -0.90 -2.20 119.26 119.72 1jrp h ALA 768 Ca 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1jrp h ALA 768 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jrp h ALA 768 CO -0.16 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.37 1jrp h ALA 769 N 1.05 0.92 0.40 0.00 0.00 0.19 -1.40 119.26 120.43 1jrp h ALA 769 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jrp h ALA 769 Cb 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jrp h ALA 769 CO -0.01 0.19 -0.24 0.28 0.00 0.00 0.00 179.25 179.48 1jrp h VAL 770 N 0.00 0.51 -0.56 0.00 2.07 -0.22 -0.53 116.25 117.52 1jrp h VAL 770 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1jrp h VAL 770 Cb 1.00 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1jrp h VAL 770 CO 0.02 0.00 0.30 0.03 0.02 0.00 0.00 177.57 177.94 1jrp h ARG 771 N -0.61 0.57 -0.83 1.57 3.08 -0.98 0.39 114.38 117.57 1jrp h ARG 771 Ca -0.05 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1jrp h ARG 771 Cb 0.49 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1jrp h ARG 771 CO 0.05 0.37 0.55 0.00 -1.07 0.00 0.00 179.97 179.87 1jrp h ARG 772 N 0.58 0.97 -0.52 0.04 3.08 -0.98 0.83 114.38 118.37 1jrp h ARG 772 Ca 0.25 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 1jrp h ARG 772 Cb 0.13 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1jrp h ARG 772 CO -0.15 0.64 0.02 0.00 -1.07 0.00 0.00 179.97 179.40 1jrp h ALA 773 N 1.53 0.70 0.00 0.04 0.00 0.13 -0.78 119.26 120.87 1jrp h ALA 773 Ca 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jrp h ALA 773 Cb 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jrp h ALA 773 CO -0.11 0.50 -0.06 0.93 0.00 0.00 0.00 179.25 180.52 1jrp h GLU 774 N 0.78 0.00 0.00 0.00 5.08 0.41 -2.38 114.58 118.46 1jrp h GLU 774 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1jrp h GLU 774 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1jrp h GLU 774 CO 0.02 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 1jrp n GLY 775 N -0.29 0.79 1.81 -3.84 0.00 0.17 -4.87 105.19 98.96 1jrp n GLY 775 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1jrp n GLY 775 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrp n ARG 776 N -2.03 1.56 0.00 1.61 1.74 -0.90 -5.00 116.66 113.64 1jrp n ARG 776 Ca 0.00 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.27 1jrp n ARG 776 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1jrp n ARG 776 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11