#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrh s VAL 2 N 0.00 4.93 0.12 0.44 1.01 -1.26 -5.06 120.40 120.58 1jrh s VAL 2 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1jrh s VAL 2 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1jrh s VAL 2 CO 0.00 0.56 -0.09 -1.61 0.00 0.00 0.00 175.10 173.96 1jrh s GLU 3 N -1.12 2.15 -0.18 2.72 8.01 -1.26 -4.91 118.70 124.10 1jrh s GLU 3 Ca 0.16 -1.06 -0.01 0.00 0.01 0.00 0.00 54.97 54.07 1jrh s GLU 3 Cb -0.12 -2.29 0.05 0.00 -4.31 0.00 0.00 34.13 27.46 1jrh s GLU 3 CO 0.06 0.49 -0.03 -1.64 0.01 0.00 0.00 175.26 174.15 1jrh s MET 4 N -2.36 1.21 -0.25 1.61 -1.94 -1.26 -0.92 119.30 115.39 1jrh s MET 4 Ca 0.22 -0.52 -0.09 0.00 -1.71 0.00 0.00 55.69 53.59 1jrh s MET 4 Cb -0.11 -2.05 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 1jrh s MET 4 CO 0.14 -0.50 0.13 0.99 -0.01 0.00 0.00 175.02 175.77 1jrh s THR 5 N 1.68 4.94 -0.25 2.05 2.01 0.10 -4.01 115.64 122.16 1jrh s THR 5 Ca -0.00 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1jrh s THR 5 Cb -0.16 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.05 1jrh s THR 5 CO -0.07 0.33 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.05 1jrh s GLN 6 N 1.33 3.02 -0.08 4.92 -0.21 -1.26 -0.90 119.66 126.49 1jrh s GLN 6 Ca 0.06 -0.86 0.05 0.00 0.02 0.00 0.00 55.36 54.63 1jrh s GLN 6 Cb -0.15 -3.05 -0.01 0.00 1.00 0.00 0.00 33.01 30.81 1jrh s GLN 6 CO 0.06 -0.35 -0.23 -1.12 -2.12 0.00 0.00 175.29 171.53 1jrh s SER 7 N 1.39 3.21 0.00 5.90 0.01 -1.23 -4.46 113.70 118.52 1jrh s SER 7 Ca 0.02 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1jrh s SER 7 Cb -0.16 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1jrh s SER 7 CO -0.03 0.21 0.00 -0.81 0.41 0.00 0.00 173.24 173.02 1jrh n PRO 8 N 3.19 3.58 0.18 12.44 -0.04 -1.26 -4.48 135.00 148.60 1jrh n PRO 8 Ca -0.18 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.34 1jrh n PRO 8 Cb 0.52 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.22 1jrh n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jrh h SER 9 N 0.00 0.00 -5.41 3.54 0.02 -1.78 -3.36 113.55 106.55 1jrh h SER 9 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1jrh h SER 9 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 1jrh h SER 9 CO 0.00 0.37 -0.34 -0.94 -1.14 0.00 0.00 176.83 174.78 1jrh s SER 10 N -6.36 0.07 -0.27 3.07 1.04 -1.26 0.51 113.70 110.50 1jrh s SER 10 Ca 0.02 -1.16 -0.07 0.00 0.48 0.00 0.00 55.95 55.22 1jrh s SER 10 Cb 0.09 0.50 0.13 0.00 0.10 0.00 0.00 66.02 66.84 1jrh s SER 10 CO 0.70 -1.02 0.56 0.12 0.98 0.00 0.00 173.24 174.58 1jrh s PHE 11 N -4.04 -1.19 -0.13 5.02 5.36 -0.52 -4.79 117.98 117.69 1jrh s PHE 11 Ca 0.30 1.92 -0.29 0.00 -0.96 0.00 0.00 56.93 57.89 1jrh s PHE 11 Cb 0.03 0.58 -0.02 0.00 -0.34 0.00 0.00 43.02 43.27 1jrh s PHE 11 CO 0.11 -0.65 1.18 -1.12 -1.46 0.00 0.00 175.22 173.28 1jrh s SER 12 N 2.79 7.04 0.17 6.13 0.01 -1.26 -1.92 113.70 126.66 1jrh s SER 12 Ca 0.00 1.67 -0.02 0.00 1.31 0.00 0.00 55.95 58.91 1jrh s SER 12 Cb -0.13 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 1jrh s SER 12 CO -0.17 -0.65 0.14 0.68 0.41 0.00 0.00 173.24 173.64 1jrh s VAL 13 N 2.84 0.05 0.19 3.43 -7.23 0.11 -4.84 120.40 114.94 1jrh s VAL 13 Ca 0.53 -1.87 0.11 0.00 -1.81 0.00 0.00 61.98 58.93 1jrh s VAL 13 Cb -0.21 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1jrh s VAL 13 CO 0.16 -0.22 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.07 1jrh s SER 14 N -3.09 3.21 0.61 4.85 0.01 -1.26 -0.44 113.70 117.60 1jrh s SER 14 Ca 0.30 -0.87 -0.17 0.00 1.31 0.00 0.00 55.95 56.51 1jrh s SER 14 Cb 0.06 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 1jrh s SER 14 CO 0.07 0.07 1.16 -0.76 0.41 0.00 0.00 173.24 174.18 1jrh s LEU 15 N -2.71 3.57 0.00 2.44 1.02 -1.26 -2.36 118.68 119.38 1jrh s LEU 15 Ca 0.20 2.21 0.00 0.00 0.02 0.00 0.00 54.13 56.56 1jrh s LEU 15 Cb -0.07 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.56 1jrh s LEU 15 CO 0.09 -1.57 0.00 0.61 0.02 0.00 0.00 176.35 175.51 1jrh n GLY 16 N 0.10 3.09 3.67 -3.19 0.00 0.58 -4.87 105.19 104.58 1jrh n GLY 16 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1jrh n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jrh s ASP 17 N -0.50 2.58 -0.12 1.61 1.01 -1.00 -4.39 116.67 115.87 1jrh s ASP 17 Ca 0.00 1.20 -0.04 0.00 0.71 0.00 0.00 52.55 54.42 1jrh s ASP 17 Cb 0.00 -1.87 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 1jrh s ASP 17 CO 0.00 -3.16 0.03 -0.60 0.21 0.00 0.00 175.17 171.65 1jrh s ARG 18 N -4.96 3.34 -0.05 8.23 3.52 -1.25 -1.03 118.95 126.75 1jrh s ARG 18 Ca 0.65 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1jrh s ARG 18 Cb -0.19 -2.96 -0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1jrh s ARG 18 CO 0.58 0.57 -0.17 0.08 -0.81 0.00 0.00 175.30 175.55 1jrh s VAL 19 N -0.51 1.43 -0.08 7.11 1.01 -0.31 -4.96 120.40 124.10 1jrh s VAL 19 Ca 0.09 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1jrh s VAL 19 Cb -0.12 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1jrh s VAL 19 CO 0.02 0.41 -0.23 -0.89 0.00 0.00 0.00 175.10 174.42 1jrh s THR 20 N 0.12 1.91 -0.08 3.92 2.01 -1.25 -0.76 115.64 121.51 1jrh s THR 20 Ca -0.06 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.01 1jrh s THR 20 Cb -0.12 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 1jrh s THR 20 CO 0.03 0.53 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.71 1jrh s ILE 21 N 0.17 3.02 -0.11 1.82 1.01 0.25 -4.95 121.20 122.41 1jrh s ILE 21 Ca -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1jrh s ILE 21 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1jrh s ILE 21 CO 0.06 0.57 0.03 -0.89 0.00 0.00 0.00 174.94 174.71 1jrh s THR 22 N -0.32 4.57 -0.08 2.92 2.01 -1.26 -1.58 115.64 121.90 1jrh s THR 22 Ca 0.03 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1jrh s THR 22 Cb -0.13 -2.96 0.03 0.00 0.01 0.00 0.00 72.50 69.45 1jrh s THR 22 CO 0.02 0.58 -0.02 0.00 -0.69 0.00 0.00 174.62 174.51 1jrh s LYS 24 N 1.72 2.79 -0.07 0.00 2.36 -0.08 -1.79 119.74 124.67 1jrh s LYS 24 Ca 0.02 -0.79 -0.06 0.00 -2.55 0.00 0.00 55.97 52.59 1jrh s LYS 24 Cb -0.13 -2.14 -0.04 0.00 -1.05 0.00 0.00 37.83 34.47 1jrh s LYS 24 CO -0.05 0.14 0.18 0.00 1.55 0.00 0.00 175.35 177.17 1jrh s ALA 25 N 0.44 3.88 0.59 3.13 0.00 0.13 0.02 121.76 129.95 1jrh s ALA 25 Ca -0.17 -0.63 0.41 0.00 0.00 0.00 0.00 51.96 51.56 1jrh s ALA 25 Cb -0.17 -1.99 2.21 0.00 0.00 0.00 0.00 23.12 23.17 1jrh s ALA 25 CO 0.07 0.64 2.31 0.66 0.00 0.00 0.00 175.76 179.45 1jrh h SER 26 N 4.60 0.00 -5.08 0.00 4.64 -1.37 -3.44 113.55 112.90 1jrh h SER 26 Ca -0.53 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.75 1jrh h SER 26 Cb 1.22 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.18 1jrh h SER 26 CO 0.62 0.01 -0.03 -1.83 -0.87 0.00 0.00 176.83 174.72 1jrh s GLU 27 N -4.18 1.15 -0.24 4.77 -1.05 -1.26 -4.99 118.70 112.90 1jrh s GLU 27 Ca -0.04 -0.73 -0.35 0.00 -0.15 0.00 0.00 54.97 53.69 1jrh s GLU 27 Cb 0.13 0.49 -0.12 0.00 -0.44 0.00 0.00 34.13 34.19 1jrh s GLU 27 CO 0.45 -0.46 2.00 -3.47 0.95 0.00 0.00 175.26 174.73 1jrh n ASP 28 N -0.26 2.72 -1.57 0.83 -0.08 -1.26 -4.71 116.55 112.21 1jrh n ASP 28 Ca -0.15 0.73 0.04 0.00 -1.51 0.00 0.00 54.79 53.90 1jrh n ASP 28 Cb 0.64 -1.30 0.33 0.00 2.34 0.00 0.00 41.12 43.13 1jrh n ASP 28 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1jrh n ILE 29 N 6.01 2.66 -3.89 5.18 -5.35 -1.04 -5.00 119.36 117.93 1jrh n ILE 29 Ca 0.31 -1.69 -0.27 0.00 -0.27 0.00 0.00 62.75 60.83 1jrh n ILE 29 Cb 0.25 -0.29 -0.04 0.00 -1.74 0.00 0.00 39.64 37.81 1jrh n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1jrh n TYR 30 N -0.02 -0.95 -1.37 4.28 4.02 -1.26 -1.35 117.16 120.51 1jrh n TYR 30 Ca 0.29 0.31 -0.14 0.00 -0.01 0.00 0.00 57.90 58.36 1jrh n TYR 30 Cb 1.15 -2.04 -0.06 0.00 -0.02 0.00 0.00 39.34 38.37 1jrh n TYR 30 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1jrh n ASN 31 N -1.80 -5.34 -3.96 7.72 4.13 -1.26 -4.88 115.26 109.86 1jrh n ASN 31 Ca -0.19 0.34 -0.43 0.00 1.68 0.00 0.00 54.58 55.98 1jrh n ASN 31 Cb 0.48 -4.21 0.00 0.00 -1.54 0.00 0.00 39.78 34.51 1jrh n ASN 31 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1jrh n ARG 32 N -1.28 3.72 -4.93 3.52 5.12 -0.46 -3.02 116.66 119.33 1jrh n ARG 32 Ca -0.14 -3.73 -0.27 0.00 -1.93 0.00 0.00 57.85 51.79 1jrh n ARG 32 Cb 0.59 -2.87 -0.15 0.00 -1.16 0.00 0.00 32.46 28.87 1jrh n ARG 32 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1jrh s LEU 33 N -0.35 2.08 0.21 0.55 2.96 -1.26 -1.49 118.68 121.37 1jrh s LEU 33 Ca 0.39 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 53.96 1jrh s LEU 33 Cb 0.07 -1.06 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 1jrh s LEU 33 CO 0.02 0.23 -0.17 0.00 -1.32 0.00 0.00 176.35 175.11 1jrh s ALA 34 N -0.58 2.16 -0.03 5.97 0.00 0.12 -0.53 121.76 128.88 1jrh s ALA 34 Ca 0.08 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.42 1jrh s ALA 34 Cb -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1jrh s ALA 34 CO -0.00 0.17 -0.10 -1.58 0.00 0.00 0.00 175.76 174.25 1jrh s TRP 35 N -2.56 1.07 -0.01 0.00 0.52 0.20 -0.42 118.94 117.74 1jrh s TRP 35 Ca 0.22 -0.28 0.04 0.00 0.02 0.00 0.00 56.10 56.09 1jrh s TRP 35 Cb -0.03 -0.76 -0.01 0.00 -1.15 0.00 0.00 33.47 31.51 1jrh s TRP 35 CO 0.08 -0.12 -0.13 0.71 0.02 0.00 0.00 176.95 177.51 1jrh s TYR 36 N 0.21 1.19 -0.03 -1.98 1.51 0.64 0.28 117.35 119.17 1jrh s TYR 36 Ca -0.04 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 1jrh s TYR 36 Cb -0.09 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1jrh s TYR 36 CO 0.01 -0.02 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.20 1jrh s GLN 37 N -0.33 2.57 -0.16 -0.62 0.74 0.52 -0.59 119.66 121.79 1jrh s GLN 37 Ca 0.05 -0.68 -0.04 0.00 0.05 0.00 0.00 55.36 54.74 1jrh s GLN 37 Cb -0.05 -2.48 0.07 0.00 1.10 0.00 0.00 33.01 31.65 1jrh s GLN 37 CO -0.00 0.62 0.21 -1.14 -0.55 0.00 0.00 175.29 174.43 1jrh s GLN 38 N -1.10 0.14 0.21 1.67 0.74 0.08 -0.08 119.66 121.31 1jrh s GLN 38 Ca 0.14 0.41 -0.16 0.00 0.05 0.00 0.00 55.36 55.80 1jrh s GLN 38 Cb -0.11 -0.73 -0.08 0.00 1.10 0.00 0.00 33.01 33.19 1jrh s GLN 38 CO 0.04 -0.49 0.64 0.15 -0.55 0.00 0.00 175.29 175.09 1jrh s LYS 39 N 2.33 4.07 0.09 1.67 1.02 -1.26 -2.31 119.74 125.35 1jrh s LYS 39 Ca 0.05 0.64 -0.35 0.00 0.02 0.00 0.00 55.97 56.32 1jrh s LYS 39 Cb -0.14 -2.81 -0.18 0.00 -0.52 0.00 0.00 37.83 34.18 1jrh s LYS 39 CO -0.10 0.38 0.91 -2.30 -0.92 0.00 0.00 175.35 173.33 1jrh n PRO 40 N 0.51 0.17 -3.52 -1.68 -0.02 -1.26 -2.79 135.00 126.41 1jrh n PRO 40 Ca -0.02 0.06 -0.21 0.00 -2.02 0.00 0.00 63.50 61.31 1jrh n PRO 40 Cb 0.52 -1.40 0.08 0.00 -0.02 0.00 0.00 33.50 32.68 1jrh n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jrh n GLY 41 N 1.75 -0.46 3.33 -1.23 0.00 -1.26 -5.01 105.19 102.31 1jrh n GLY 41 Ca 0.19 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 1jrh n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jrh s ASN 42 N -3.82 -0.31 0.52 1.61 0.01 -1.12 -5.15 114.94 106.67 1jrh s ASN 42 Ca 0.31 0.10 -0.20 0.00 -0.71 0.00 0.00 52.86 52.36 1jrh s ASN 42 Cb -0.14 0.42 -0.07 0.00 0.41 0.00 0.00 41.25 41.87 1jrh s ASN 42 CO 0.73 -0.62 1.08 0.00 -1.51 0.00 0.00 177.10 176.78 1jrh s ALA 43 N -2.10 2.78 0.59 0.60 0.00 -1.26 -4.70 121.76 117.67 1jrh s ALA 43 Ca -0.08 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.38 1jrh s ALA 43 Cb -0.02 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1jrh s ALA 43 CO 0.00 -0.55 1.32 -2.14 0.00 0.00 0.00 175.76 174.40 1jrh s PRO 44 N -3.29 2.90 -0.14 0.00 0.02 -1.26 -4.76 135.00 128.46 1jrh s PRO 44 Ca 0.70 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.83 1jrh s PRO 44 Cb -0.20 -2.07 -0.02 0.00 0.02 0.00 0.00 34.50 32.23 1jrh s PRO 44 CO 0.24 -1.35 -0.07 0.50 -0.33 0.00 0.00 177.00 175.98 1jrh s ARG 45 N -3.12 3.54 -0.04 5.54 3.52 0.88 -4.91 118.95 124.36 1jrh s ARG 45 Ca 0.76 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 1jrh s ARG 45 Cb -0.39 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 1jrh s ARG 45 CO 0.43 0.24 1.10 -1.17 -0.81 0.00 0.00 175.30 175.09 1jrh s LEU 46 N 0.32 4.31 -0.13 -0.88 0.20 -1.26 -0.35 118.68 120.88 1jrh s LEU 46 Ca -0.06 1.74 -0.12 0.00 0.69 0.00 0.00 54.13 56.37 1jrh s LEU 46 Cb -0.15 -3.56 -0.06 0.00 -0.43 0.00 0.00 46.19 41.99 1jrh s LEU 46 CO 0.04 -0.45 -0.26 0.18 -0.29 0.00 0.00 176.35 175.57 1jrh n LEU 47 N 4.62 1.65 -4.19 -0.68 4.77 0.14 -4.77 117.00 118.54 1jrh n LEU 47 Ca 0.09 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 56.10 1jrh n LEU 47 Cb 0.48 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1jrh n LEU 47 CO 0.54 -0.17 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.30 1jrh s ILE 48 N -2.59 1.42 0.17 -0.08 1.01 -0.88 -0.24 121.20 120.00 1jrh s ILE 48 Ca -0.23 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 59.46 1jrh s ILE 48 Cb 0.05 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1jrh s ILE 48 CO 0.33 0.19 -0.13 -0.94 0.00 0.00 0.00 174.94 174.39 1jrh s SER 49 N -0.97 2.16 -1.51 3.58 1.04 0.88 0.58 113.70 119.45 1jrh s SER 49 Ca 0.05 -0.98 -0.13 0.00 0.48 0.00 0.00 55.95 55.37 1jrh s SER 49 Cb -0.08 -0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.04 1jrh s SER 49 CO 0.01 -0.23 1.02 0.61 0.98 0.00 0.00 173.24 175.63 1jrh n GLY 50 N -0.14 -0.51 4.86 7.32 0.00 -0.10 0.15 105.19 116.78 1jrh n GLY 50 Ca -0.10 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1jrh n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrh n ALA 51 N -4.73 0.00 -0.27 4.61 0.00 0.31 -3.95 120.51 116.47 1jrh n ALA 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1jrh n ALA 51 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1jrh n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jrh n THR 52 N 0.00 0.00 -3.08 0.00 -2.24 -1.15 -3.33 114.28 104.48 1jrh n THR 52 Ca 0.00 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1jrh n THR 52 Cb 0.00 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 1jrh n THR 52 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jrh s SER 53 N -0.17 6.45 0.44 3.42 0.01 0.12 -4.70 113.70 119.28 1jrh s SER 53 Ca 0.00 0.18 -0.23 0.00 1.31 0.00 0.00 55.95 57.21 1jrh s SER 53 Cb 0.00 -2.34 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 1jrh s SER 53 CO 0.00 -0.63 1.08 -0.76 0.41 0.00 0.00 173.24 173.34 1jrh s LEU 54 N 2.80 4.01 0.55 2.44 1.43 -1.26 -0.08 118.68 128.57 1jrh s LEU 54 Ca 0.26 2.08 -0.15 0.00 -1.03 0.00 0.00 54.13 55.29 1jrh s LEU 54 Cb -0.14 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 41.70 1jrh s LEU 54 CO 0.15 -0.71 1.00 -1.61 0.23 0.00 0.00 176.35 175.42 1jrh s GLU 55 N -2.77 3.82 0.70 1.70 0.41 0.67 -4.89 118.70 118.33 1jrh s GLU 55 Ca 0.62 0.88 -0.15 0.00 -0.41 0.00 0.00 54.97 55.92 1jrh s GLU 55 Cb -0.22 -2.12 0.02 0.00 -1.78 0.00 0.00 34.13 30.04 1jrh s GLU 55 CO 0.27 -0.38 1.17 -0.08 -0.49 0.00 0.00 175.26 175.75 1jrh s THR 56 N -2.82 2.67 0.00 3.63 -1.32 -1.26 -2.81 115.64 113.73 1jrh s THR 56 Ca 0.57 0.32 0.00 0.00 -1.21 0.00 0.00 61.69 61.38 1jrh s THR 56 Cb -0.10 -2.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 1jrh s THR 56 CO 0.39 -0.18 0.00 -0.62 -2.21 0.00 0.00 174.62 172.00 1jrh n GLU 57 N -2.59 0.00 -2.29 7.08 -0.58 -1.26 -5.01 120.64 116.00 1jrh n GLU 57 Ca 0.12 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 1jrh n GLU 57 Cb 0.51 -0.56 -0.03 0.00 -0.57 0.00 0.00 31.44 30.79 1jrh n GLU 57 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1jrh s VAL 58 N -1.44 3.64 0.34 2.62 1.01 -1.12 -4.97 120.40 120.47 1jrh s VAL 58 Ca 0.00 1.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.87 1jrh s VAL 58 Cb 0.00 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1jrh s VAL 58 CO 0.00 0.09 1.36 -2.65 0.00 0.00 0.00 175.10 173.91 1jrh n PRO 59 N 3.94 2.28 0.31 2.72 -0.02 -1.26 -4.90 135.00 138.07 1jrh n PRO 59 Ca 0.10 0.80 0.21 0.00 -2.02 0.00 0.00 63.50 62.59 1jrh n PRO 59 Cb 0.44 -2.44 1.09 0.00 -0.02 0.00 0.00 33.50 32.58 1jrh n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jrh h SER 60 N 2.92 0.00 0.15 2.55 4.64 -2.00 -2.47 113.55 119.33 1jrh h SER 60 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1jrh h SER 60 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1jrh h SER 60 CO 0.65 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.50 1jrh n ARG 61 N -2.94 0.11 -4.02 4.77 1.85 -1.26 -4.66 116.66 110.51 1jrh n ARG 61 Ca -0.02 0.22 -0.33 0.00 -1.00 0.00 0.00 57.85 56.71 1jrh n ARG 61 Cb 0.08 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.93 1jrh n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1jrh s PHE 62 N -2.59 3.41 -0.08 2.89 0.08 -0.93 0.43 117.98 121.19 1jrh s PHE 62 Ca 0.07 0.29 -0.30 0.00 0.12 0.00 0.00 56.93 57.11 1jrh s PHE 62 Cb 0.05 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.79 1jrh s PHE 62 CO 0.12 0.60 0.71 -1.54 -0.10 0.00 0.00 175.22 175.01 1jrh s SER 63 N -1.74 -0.65 0.26 1.36 1.04 0.21 -4.99 113.70 109.20 1jrh s SER 63 Ca 0.24 0.76 0.09 0.00 0.48 0.00 0.00 55.95 57.51 1jrh s SER 63 Cb -0.12 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 1jrh s SER 63 CO 0.15 -0.56 -0.13 -0.83 0.98 0.00 0.00 173.24 172.85 1jrh s GLY 64 N -1.05 1.73 0.14 7.32 0.00 -1.26 0.09 107.32 114.29 1jrh s GLY 64 Ca -0.09 -1.83 -0.14 0.00 0.00 0.00 0.00 44.72 42.65 1jrh s GLY 64 CO 0.09 -1.86 0.69 -1.14 0.00 0.00 0.00 173.10 170.88 1jrh n SER 65 N -0.54 -1.21 0.00 1.64 3.41 -0.15 -4.51 113.62 112.26 1jrh n SER 65 Ca -0.06 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 1jrh n SER 65 Cb 0.61 1.97 0.00 0.00 -0.26 0.00 0.00 64.21 66.54 1jrh n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jrh n GLY 66 N -0.48 0.31 0.00 5.00 0.00 -1.26 -0.41 105.19 108.35 1jrh n GLY 66 Ca -0.02 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.71 1jrh n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jrh n SER 67 N 0.05 0.00 0.00 1.61 2.88 0.14 -4.93 113.62 113.37 1jrh n SER 67 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jrh n SER 67 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jrh n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jrh n GLY 68 N -0.06 0.95 0.00 0.46 0.00 -1.26 -1.21 105.19 104.08 1jrh n GLY 68 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1jrh n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrh n LYS 69 N 0.00 6.86 -3.78 1.61 5.02 -1.26 -2.51 118.16 124.09 1jrh n LYS 69 Ca 0.00 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1jrh n LYS 69 Cb 0.00 -0.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.38 1jrh n LYS 69 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jrh s ASP 70 N -0.98 4.99 0.05 4.39 1.01 -0.35 -0.69 116.67 125.09 1jrh s ASP 70 Ca 0.00 -0.56 0.04 0.00 0.71 0.00 0.00 52.55 52.74 1jrh s ASP 70 Cb 0.00 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 1jrh s ASP 70 CO 0.00 -0.13 -0.11 -0.31 0.21 0.00 0.00 175.17 174.82 1jrh s TYR 71 N 1.52 0.97 0.05 4.23 1.51 -0.74 0.25 117.35 125.13 1jrh s TYR 71 Ca 0.04 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1jrh s TYR 71 Cb -0.16 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1jrh s TYR 71 CO 0.02 -0.00 -0.03 0.95 -1.11 0.00 0.00 175.55 175.37 1jrh s THR 72 N -1.24 0.22 -0.04 -0.71 -4.23 0.45 -1.57 115.64 108.51 1jrh s THR 72 Ca -0.05 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 1jrh s THR 72 Cb -0.10 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 1jrh s THR 72 CO 0.01 -0.96 -0.25 -0.22 -0.54 0.00 0.00 174.62 172.66 1jrh s LEU 73 N -2.81 2.06 -0.03 4.79 2.96 -0.61 -0.98 118.68 124.05 1jrh s LEU 73 Ca 0.05 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1jrh s LEU 73 Cb 0.07 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.42 1jrh s LEU 73 CO -0.09 0.27 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.67 1jrh s SER 74 N -0.32 1.28 -0.21 3.68 0.01 0.11 -0.58 113.70 117.68 1jrh s SER 74 Ca 0.01 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.07 1jrh s SER 74 Cb -0.12 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.72 1jrh s SER 74 CO 0.02 0.05 -0.13 -0.63 0.41 0.00 0.00 173.24 172.96 1jrh s ILE 75 N 0.31 2.51 0.25 1.44 1.01 0.06 -0.62 121.20 126.16 1jrh s ILE 75 Ca -0.05 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1jrh s ILE 75 Cb -0.10 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1jrh s ILE 75 CO 0.01 0.42 1.60 0.71 0.00 0.00 0.00 174.94 177.68 1jrh h THR 76 N 5.97 1.35 -2.66 2.92 1.35 -0.30 -0.82 112.91 120.72 1jrh h THR 76 Ca -0.41 -1.77 -0.57 0.00 -0.55 0.00 0.00 66.41 63.10 1jrh h THR 76 Cb 1.13 1.83 -0.39 0.00 -1.73 0.00 0.00 68.15 68.99 1jrh h THR 76 CO 0.61 0.53 -0.83 -0.44 -0.25 0.00 0.00 175.52 175.14 1jrh s SER 77 N -6.89 3.13 0.24 5.36 0.01 -1.24 -3.88 113.70 110.43 1jrh s SER 77 Ca -0.05 -2.05 -0.30 0.00 1.31 0.00 0.00 55.95 54.86 1jrh s SER 77 Cb 0.12 -0.44 -0.14 0.00 0.21 0.00 0.00 66.02 65.77 1jrh s SER 77 CO 0.80 -0.33 1.18 -0.11 0.41 0.00 0.00 173.24 175.19 1jrh n LEU 78 N 4.23 2.20 -4.16 2.44 7.94 -0.20 -4.62 117.00 124.83 1jrh n LEU 78 Ca 0.08 1.16 -0.12 0.00 -1.11 0.00 0.00 56.01 56.02 1jrh n LEU 78 Cb 0.38 -1.32 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 1jrh n LEU 78 CO 0.13 -1.05 -0.40 -1.58 -1.11 0.00 0.00 177.39 173.38 1jrh s GLN 79 N -0.92 0.80 0.24 1.96 0.74 -1.26 -0.31 119.66 120.92 1jrh s GLN 79 Ca 0.65 -1.20 -0.05 0.00 0.05 0.00 0.00 55.36 54.82 1jrh s GLN 79 Cb -0.72 -0.33 0.46 0.00 1.10 0.00 0.00 33.01 33.52 1jrh s GLN 79 CO 0.55 0.02 1.71 1.79 -0.55 0.00 0.00 175.29 178.81 1jrh h THR 80 N 3.36 0.58 0.00 -0.34 1.35 -1.99 0.11 112.91 115.98 1jrh h THR 80 Ca -0.36 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1jrh h THR 80 Cb 1.18 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1jrh h THR 80 CO 0.58 0.06 0.17 -0.62 -0.25 0.00 0.00 175.52 175.46 1jrh n GLU 81 N -5.09 0.08 0.00 4.72 4.71 -1.26 -0.50 120.64 123.30 1jrh n GLU 81 Ca 0.14 0.53 0.11 0.00 -0.01 0.00 0.00 57.16 57.93 1jrh n GLU 81 Cb 0.44 -1.93 -0.00 0.00 -1.01 0.00 0.00 31.44 28.94 1jrh n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1jrh n ASP 82 N -1.92 1.13 -4.59 1.62 8.00 0.39 -4.86 116.55 116.32 1jrh n ASP 82 Ca -0.01 -0.97 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 1jrh n ASP 82 Cb 0.19 0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 41.98 1jrh n ASP 82 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jrh s VAL 83 N -2.86 3.79 0.09 2.53 1.01 0.34 -4.86 120.40 120.43 1jrh s VAL 83 Ca 0.12 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 1jrh s VAL 83 Cb 0.17 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1jrh s VAL 83 CO 0.76 -0.94 0.22 0.00 0.00 0.00 0.00 175.10 175.14 1jrh n ALA 84 N 9.50 -0.52 -2.82 5.51 0.00 -1.26 -4.88 120.51 126.04 1jrh n ALA 84 Ca 0.15 -0.31 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 1jrh n ALA 84 Cb 0.49 0.23 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 1jrh n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jrh s THR 85 N -2.68 5.08 -0.09 0.00 2.01 -0.98 -1.33 115.64 117.66 1jrh s THR 85 Ca 0.05 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1jrh s THR 85 Cb -0.01 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 1jrh s THR 85 CO 0.03 0.57 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.99 1jrh s TYR 86 N -1.02 2.56 -0.03 4.92 1.51 0.23 -0.74 117.35 124.78 1jrh s TYR 86 Ca 0.16 -0.91 0.07 0.00 -1.01 0.00 0.00 57.07 55.37 1jrh s TYR 86 Cb -0.12 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 1jrh s TYR 86 CO 0.05 -0.34 -0.23 0.71 -1.11 0.00 0.00 175.55 174.63 1jrh s TYR 87 N 0.21 2.15 0.22 2.71 2.02 0.24 -1.52 117.35 123.38 1jrh s TYR 87 Ca -0.14 -0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.13 1jrh s TYR 87 Cb -0.17 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 1jrh s TYR 87 CO 0.07 -0.10 0.22 0.00 -1.57 0.00 0.00 175.55 174.18 1jrh s GLN 89 N -3.68 0.42 -0.14 0.00 0.74 0.44 -0.88 119.66 116.56 1jrh s GLN 89 Ca 0.33 0.71 -0.15 0.00 0.05 0.00 0.00 55.36 56.30 1jrh s GLN 89 Cb -0.09 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 1jrh s GLN 89 CO 0.26 -0.13 0.36 -1.14 -0.55 0.00 0.00 175.29 174.09 1jrh s GLN 90 N 1.01 4.27 -0.10 1.67 -0.44 -0.54 0.15 119.66 125.68 1jrh s GLN 90 Ca -0.06 0.23 0.14 0.00 -2.50 0.00 0.00 55.36 53.17 1jrh s GLN 90 Cb -0.07 -3.42 0.29 0.00 -1.64 0.00 0.00 33.01 28.17 1jrh s GLN 90 CO -0.08 0.23 1.14 2.48 0.50 0.00 0.00 175.29 179.55 1jrh n TYR 91 N 3.55 0.00 0.01 1.67 0.18 -0.56 -1.97 117.16 120.04 1jrh n TYR 91 Ca -0.10 -0.83 -0.19 0.00 1.88 0.00 0.00 57.90 58.66 1jrh n TYR 91 Cb 0.52 -0.16 -0.10 0.00 -0.38 0.00 0.00 39.34 39.22 1jrh n TYR 91 CO 0.00 0.00 0.00 2.35 -2.08 0.00 0.00 176.86 177.13 1jrh h TRP 92 N 0.45 0.90 -3.01 -3.48 2.91 -1.85 -3.40 115.95 108.46 1jrh h TRP 92 Ca -0.04 -0.46 -0.59 0.00 1.13 0.00 0.00 58.89 58.93 1jrh h TRP 92 Cb 1.24 -0.11 -0.40 0.00 -0.51 0.00 0.00 29.16 29.38 1jrh h TRP 92 CO 0.26 1.29 -0.76 0.45 -1.03 0.00 0.00 178.44 178.65 1jrh s SER 93 N -7.05 3.75 0.89 2.65 0.15 -1.26 -5.07 113.70 107.77 1jrh s SER 93 Ca -0.11 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 54.47 1jrh s SER 93 Cb 0.06 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1jrh s SER 93 CO 0.88 -0.35 0.00 0.35 1.20 0.00 0.00 173.24 175.32 1jrh n THR 94 N 4.27 0.00 -4.03 6.45 -2.24 -1.26 -4.74 114.28 112.73 1jrh n THR 94 Ca 0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 1jrh n THR 94 Cb 0.39 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.47 1jrh n THR 94 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1jrh s TRP 96 N 0.00 0.32 -0.01 4.78 0.51 -1.26 -4.20 118.94 119.08 1jrh s TRP 96 Ca 0.00 -0.05 0.00 0.00 -2.12 0.00 0.00 56.10 53.93 1jrh s TRP 96 Cb 0.00 -0.26 0.01 0.00 -0.81 0.00 0.00 33.47 32.41 1jrh s TRP 96 CO 0.00 -0.04 0.01 0.99 -0.51 0.00 0.00 176.95 177.40 1jrh s THR 97 N 0.23 -0.02 0.17 2.01 2.01 -0.83 -5.00 115.64 114.21 1jrh s THR 97 Ca -0.02 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1jrh s THR 97 Cb -0.05 -0.04 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 1jrh s THR 97 CO -0.01 0.03 0.25 -0.36 -0.69 0.00 0.00 174.62 173.85 1jrh s PHE 98 N 0.35 3.37 0.76 4.92 0.08 -1.26 -1.47 117.98 124.73 1jrh s PHE 98 Ca -0.03 0.05 -0.07 0.00 0.12 0.00 0.00 56.93 56.99 1jrh s PHE 98 Cb -0.04 -1.59 0.10 0.00 -0.57 0.00 0.00 43.02 40.92 1jrh s PHE 98 CO -0.01 0.50 1.07 0.20 -0.10 0.00 0.00 175.22 176.89 1jrh s GLY 99 N -3.37 1.72 0.41 4.36 0.00 -0.06 -4.59 107.32 105.80 1jrh s GLY 99 Ca 0.33 -1.13 0.11 0.00 0.00 0.00 0.00 44.72 44.03 1jrh s GLY 99 CO 0.27 -0.62 1.96 -1.33 0.00 0.00 0.00 173.10 173.38 1jrh h GLY 100 N -0.80 0.20 0.00 0.20 0.00 -1.82 -3.45 103.07 97.40 1jrh h GLY 100 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1jrh h GLY 100 CO 0.52 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1jrh n GLY 101 N -1.00 2.61 2.73 4.60 0.00 -1.26 -5.03 105.19 107.84 1jrh n GLY 101 Ca -0.01 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 1jrh n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrh s THR 102 N -2.09 0.31 -0.13 2.61 2.01 -0.57 -3.96 115.64 113.82 1jrh s THR 102 Ca 0.00 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 1jrh s THR 102 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1jrh s THR 102 CO 0.00 0.03 0.40 -0.75 -0.69 0.00 0.00 174.62 173.61 1jrh s LYS 103 N 1.98 4.30 -0.01 4.92 2.20 0.18 -0.60 119.74 132.71 1jrh s LYS 103 Ca 0.03 0.31 -0.23 0.00 -0.36 0.00 0.00 55.97 55.72 1jrh s LYS 103 Cb -0.14 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1jrh s LYS 103 CO -0.06 0.19 0.68 -0.51 -0.36 0.00 0.00 175.35 175.29 1jrh s LEU 104 N 0.55 4.39 0.07 5.43 1.43 -0.44 -1.44 118.68 128.67 1jrh s LEU 104 Ca 0.22 1.25 0.07 0.00 -1.03 0.00 0.00 54.13 54.65 1jrh s LEU 104 Cb -0.14 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 1jrh s LEU 104 CO 0.08 -0.00 -0.19 -0.70 0.23 0.00 0.00 176.35 175.76 1jrh s GLU 105 N 0.22 1.16 -0.07 1.70 -6.30 -0.81 -4.52 118.70 110.08 1jrh s GLU 105 Ca 0.36 -1.01 -0.03 0.00 -2.50 0.00 0.00 54.97 51.79 1jrh s GLU 105 Cb -0.19 -1.31 -0.04 0.00 0.00 0.00 0.00 34.13 32.59 1jrh s GLU 105 CO 0.19 0.32 0.07 0.96 0.02 0.00 0.00 175.26 176.82 1jrh s ILE 106 N -1.00 4.81 0.47 -3.70 -4.36 -1.25 0.07 121.20 116.24 1jrh s ILE 106 Ca 0.05 -0.17 -0.20 0.00 -0.26 0.00 0.00 60.65 60.07 1jrh s ILE 106 Cb -0.09 -3.11 -0.09 0.00 1.25 0.00 0.00 42.46 40.42 1jrh s ILE 106 CO 0.03 0.52 1.01 -0.54 0.24 0.00 0.00 174.94 176.20 1jrh s LYS 107 N -1.23 3.93 0.22 0.37 1.02 0.42 -4.81 119.74 119.67 1jrh s LYS 107 Ca 0.17 1.27 -0.21 0.00 0.02 0.00 0.00 55.97 57.22 1jrh s LYS 107 Cb -0.12 -2.12 0.07 0.00 -0.52 0.00 0.00 37.83 35.14 1jrh s LYS 107 CO 0.07 -0.31 0.96 -0.98 -0.92 0.00 0.00 175.35 174.17 1jrh s ARG 108 N -3.25 1.50 0.30 1.68 1.70 -1.26 -4.87 118.95 114.75 1jrh s ARG 108 Ca 0.65 -0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 1jrh s ARG 108 Cb -0.14 0.44 -0.11 0.00 -0.57 0.00 0.00 34.95 34.57 1jrh s ARG 108 CO 0.18 -0.70 1.52 0.00 -1.08 0.00 0.00 175.30 175.22 1jrh s ALA 109 N -2.50 3.67 0.12 7.88 0.00 -1.26 -4.90 121.76 124.77 1jrh s ALA 109 Ca 0.18 1.49 -0.33 0.00 0.00 0.00 0.00 51.96 53.30 1jrh s ALA 109 Cb -0.03 -3.61 -0.13 0.00 0.00 0.00 0.00 23.12 19.36 1jrh s ALA 109 CO 0.06 -0.91 1.71 -0.25 0.00 0.00 0.00 175.76 176.37 1jrh n ASP 110 N 1.86 3.49 -4.17 0.00 9.92 -1.26 -4.74 116.55 121.65 1jrh n ASP 110 Ca 0.06 1.04 -0.25 0.00 -0.53 0.00 0.00 54.79 55.11 1jrh n ASP 110 Cb 0.39 -1.46 -0.15 0.00 -0.64 0.00 0.00 41.12 39.25 1jrh n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jrh s ALA 111 N 1.89 1.46 0.04 2.24 0.00 0.21 -4.92 121.76 122.68 1jrh s ALA 111 Ca 0.81 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 1jrh s ALA 111 Cb -0.61 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 1jrh s ALA 111 CO 0.39 0.35 0.72 0.00 0.00 0.00 0.00 175.76 177.23 1jrh s ALA 112 N -0.45 3.40 -0.08 0.00 0.00 -1.26 -1.92 121.76 121.46 1jrh s ALA 112 Ca 0.07 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 1jrh s ALA 112 Cb -0.07 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1jrh s ALA 112 CO -0.00 0.10 1.38 -1.25 0.00 0.00 0.00 175.76 175.99 1jrh s PRO 113 N -0.15 4.25 -0.47 0.00 0.04 -1.26 -4.70 135.00 132.72 1jrh s PRO 113 Ca 0.36 1.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.99 1jrh s PRO 113 Cb -0.20 -3.73 0.03 0.00 0.04 0.00 0.00 34.50 30.64 1jrh s PRO 113 CO 0.22 -0.66 1.10 0.99 0.04 0.00 0.00 177.00 178.68 1jrh s THR 114 N 3.12 4.26 -0.12 1.26 2.01 -0.67 -4.83 115.64 120.67 1jrh s THR 114 Ca 0.62 1.15 -0.17 0.00 0.31 0.00 0.00 61.69 63.60 1jrh s THR 114 Cb -0.27 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 1jrh s THR 114 CO 0.22 -0.97 0.43 -0.69 -0.69 0.00 0.00 174.62 172.93 1jrh s VAL 115 N 4.31 5.20 -0.13 3.82 1.01 -1.26 -2.80 120.40 130.55 1jrh s VAL 115 Ca 0.46 0.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 1jrh s VAL 115 Cb -0.08 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1jrh s VAL 115 CO 0.30 0.36 0.01 -0.44 0.00 0.00 0.00 175.10 175.33 1jrh s SER 116 N 0.46 2.21 0.13 3.32 0.01 -1.05 -5.00 113.70 113.78 1jrh s SER 116 Ca 0.24 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.08 1jrh s SER 116 Cb -0.15 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 1jrh s SER 116 CO 0.09 -0.24 0.28 -0.51 0.41 0.00 0.00 173.24 173.27 1jrh s ILE 117 N 1.90 5.32 -0.00 1.44 2.07 -1.26 -1.37 121.20 129.30 1jrh s ILE 117 Ca 0.02 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1jrh s ILE 117 Cb -0.14 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.74 1jrh s ILE 117 CO -0.07 -0.03 -0.00 -0.36 -1.91 0.00 0.00 174.94 172.57 1jrh s PHE 118 N -1.69 0.09 -0.70 3.50 0.40 -1.26 -4.96 117.98 113.36 1jrh s PHE 118 Ca 0.35 0.00 -0.07 0.00 -0.60 0.00 0.00 56.93 56.62 1jrh s PHE 118 Cb -0.12 -0.09 -0.12 0.00 0.51 0.00 0.00 43.02 43.20 1jrh s PHE 118 CO 0.28 -0.02 3.17 -2.30 0.70 0.00 0.00 175.22 177.05 1jrh n PRO 119 N 3.24 2.85 -3.39 0.24 -0.02 -1.26 -5.12 135.00 131.55 1jrh n PRO 119 Ca -0.15 -1.83 -0.12 0.00 -2.02 0.00 0.00 63.50 59.39 1jrh n PRO 119 Cb 0.58 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 1jrh n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jrh s PHE 135 N 2.49 3.53 -0.63 0.00 0.08 -0.47 -3.23 117.98 119.75 1jrh s PHE 135 Ca 0.11 1.43 -0.02 0.00 0.12 0.00 0.00 56.93 58.57 1jrh s PHE 135 Cb -0.15 -3.03 0.16 0.00 -0.57 0.00 0.00 43.02 39.43 1jrh s PHE 135 CO -0.16 -0.11 0.43 -0.51 -0.10 0.00 0.00 175.22 174.78 1jrh s LEU 136 N 1.55 5.09 -0.00 -0.37 1.02 -0.22 -2.53 118.68 123.22 1jrh s LEU 136 Ca 0.43 -2.95 -0.01 0.00 0.02 0.00 0.00 54.13 51.62 1jrh s LEU 136 Cb -0.18 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.17 1jrh s LEU 136 CO 0.18 -0.33 0.12 0.20 0.02 0.00 0.00 176.35 176.54 1jrh s ASN 137 N 0.43 5.91 -0.83 2.29 -0.87 -1.12 0.15 114.94 120.89 1jrh s ASN 137 Ca 0.18 0.21 -0.03 0.00 -1.57 0.00 0.00 52.86 51.65 1jrh s ASN 137 Cb -0.20 -1.75 -0.00 0.00 -0.02 0.00 0.00 41.25 39.27 1jrh s ASN 137 CO -0.03 0.26 0.68 0.59 -2.57 0.00 0.00 177.10 176.03 1jrh n ASN 138 N 1.06 -6.43 -4.48 -1.22 4.13 0.86 -1.67 115.26 107.51 1jrh n ASN 138 Ca -0.12 -0.52 -0.30 0.00 1.68 0.00 0.00 54.58 55.32 1jrh n ASN 138 Cb 0.53 -3.80 -0.08 0.00 -1.54 0.00 0.00 39.78 34.89 1jrh n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1jrh s PHE 139 N -3.07 1.86 -0.28 3.10 -0.71 0.28 -4.38 117.98 114.78 1jrh s PHE 139 Ca 0.07 -1.09 -0.25 0.00 -1.04 0.00 0.00 56.93 54.63 1jrh s PHE 139 Cb -0.02 -1.42 0.13 0.00 -1.21 0.00 0.00 43.02 40.50 1jrh s PHE 139 CO 0.81 0.01 1.10 -0.47 -1.34 0.00 0.00 175.22 175.33 1jrh s TYR 140 N -3.02 -0.41 0.28 3.49 6.14 -0.81 -0.50 117.35 122.52 1jrh s TYR 140 Ca 0.15 0.99 -0.05 0.00 0.64 0.00 0.00 57.07 58.80 1jrh s TYR 140 Cb 0.02 0.38 0.07 0.00 0.42 0.00 0.00 41.96 42.85 1jrh s TYR 140 CO 0.08 -0.20 0.21 -0.35 0.64 0.00 0.00 175.55 175.93 1jrh n PRO 141 N 2.19 -1.94 0.07 4.97 -0.04 -1.26 -0.62 135.00 138.38 1jrh n PRO 141 Ca -0.12 -0.34 -0.04 0.00 -0.04 0.00 0.00 63.50 62.96 1jrh n PRO 141 Cb 0.56 -0.36 -0.08 0.00 -0.04 0.00 0.00 33.50 33.58 1jrh n PRO 141 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1jrh h LYS 142 N 0.00 0.00 -7.01 0.54 2.10 -1.98 -3.48 116.57 106.74 1jrh h LYS 142 Ca -0.08 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.03 1jrh h LYS 142 Cb 0.27 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 31.71 1jrh h LYS 142 CO 0.05 0.73 0.64 -0.51 -2.00 0.00 0.00 179.45 178.36 1jrh s ASP 143 N -6.48 5.72 -0.23 7.07 1.01 -1.26 -5.02 116.67 117.47 1jrh s ASP 143 Ca 0.01 2.78 -0.28 0.00 0.71 0.00 0.00 52.55 55.77 1jrh s ASP 143 Cb 0.09 -2.64 0.15 0.00 1.01 0.00 0.00 42.92 41.53 1jrh s ASP 143 CO 0.80 -1.27 1.14 -0.51 0.21 0.00 0.00 175.17 175.54 1jrh s ILE 144 N -1.27 0.00 -0.04 0.77 2.07 -1.26 -4.84 121.20 116.63 1jrh s ILE 144 Ca 0.65 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.90 1jrh s ILE 144 Cb -0.41 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.20 1jrh s ILE 144 CO 0.50 0.00 -0.05 0.20 -1.91 0.00 0.00 174.94 173.69 1jrh s ASN 145 N -0.60 0.88 0.39 4.50 -0.87 -1.25 -5.04 114.94 112.95 1jrh s ASN 145 Ca 0.03 -0.12 0.08 0.00 -1.57 0.00 0.00 52.86 51.27 1jrh s ASN 145 Cb -0.02 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.25 40.78 1jrh s ASN 145 CO -0.05 -0.03 0.29 -0.69 -2.57 0.00 0.00 177.10 174.05 1jrh s VAL 146 N 0.75 2.86 -0.27 1.60 1.01 -1.26 -1.81 120.40 123.28 1jrh s VAL 146 Ca -0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 61.98 60.39 1jrh s VAL 146 Cb -0.13 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.32 1jrh s VAL 146 CO 0.00 -0.07 0.19 -0.54 0.00 0.00 0.00 175.10 174.69 1jrh s LYS 147 N -4.02 0.22 0.00 2.72 -0.14 -0.32 -4.97 119.74 113.23 1jrh s LYS 147 Ca 0.44 -0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.78 1jrh s LYS 147 Cb -0.03 -1.06 0.00 0.00 -1.68 0.00 0.00 37.83 35.07 1jrh s LYS 147 CO 0.26 -0.95 0.00 0.41 -0.76 0.00 0.00 175.35 174.31 1jrh n GLY 158 N 5.28 0.97 3.35 -3.33 0.00 -1.26 -2.91 105.19 107.29 1jrh n GLY 158 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1jrh n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrh s VAL 159 N -0.88 0.05 0.03 1.61 0.11 -1.26 -5.18 120.40 114.87 1jrh s VAL 159 Ca 0.00 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1jrh s VAL 159 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1jrh s VAL 159 CO 0.00 -0.21 -0.09 -0.76 -3.33 0.00 0.00 175.10 170.71 1jrh s LEU 160 N -2.17 2.16 0.04 2.54 2.01 -1.26 -5.15 118.68 116.84 1jrh s LEU 160 Ca -0.03 -0.39 0.08 0.00 0.01 0.00 0.00 54.13 53.80 1jrh s LEU 160 Cb -0.00 -0.31 -0.03 0.00 0.01 0.00 0.00 46.19 45.86 1jrh s LEU 160 CO -0.04 -0.06 -0.24 0.20 1.01 0.00 0.00 176.35 177.21 1jrh s ASN 161 N -1.02 2.92 0.10 2.29 -0.87 -1.25 -4.01 114.94 113.10 1jrh s ASN 161 Ca -0.03 -0.55 0.06 0.00 -1.57 0.00 0.00 52.86 50.77 1jrh s ASN 161 Cb -0.07 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.25 40.86 1jrh s ASN 161 CO 0.00 0.24 -0.16 -0.94 -2.57 0.00 0.00 177.10 173.67 1jrh s SER 162 N -1.13 2.06 0.12 -1.22 1.04 -0.96 -4.98 113.70 108.63 1jrh s SER 162 Ca 0.10 -0.70 0.08 0.00 0.48 0.00 0.00 55.95 55.90 1jrh s SER 162 Cb -0.10 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1jrh s SER 162 CO 0.02 -0.06 -0.19 0.26 0.98 0.00 0.00 173.24 174.25 1jrh s TRP 163 N -1.53 1.69 0.53 5.02 0.51 -1.26 -1.11 118.94 122.79 1jrh s TRP 163 Ca 0.04 -0.45 0.03 0.00 -2.12 0.00 0.00 56.10 53.60 1jrh s TRP 163 Cb -0.08 -0.90 0.03 0.00 -0.81 0.00 0.00 33.47 31.71 1jrh s TRP 163 CO 0.03 0.22 0.74 0.95 -0.51 0.00 0.00 176.95 178.38 1jrh s THR 164 N -1.51 2.70 0.47 2.01 -4.23 -0.34 -4.97 115.64 109.77 1jrh s THR 164 Ca 0.08 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 1jrh s THR 164 Cb -0.08 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 70.74 1jrh s THR 164 CO 0.05 0.00 0.85 -1.81 -0.54 0.00 0.00 174.62 173.17 1jrh s ASP 165 N -4.43 6.45 0.06 3.99 1.11 -1.26 -4.58 116.67 118.00 1jrh s ASP 165 Ca 0.57 1.22 -0.35 0.00 0.18 0.00 0.00 52.55 54.18 1jrh s ASP 165 Cb -0.10 -2.37 -0.14 0.00 1.07 0.00 0.00 42.92 41.39 1jrh s ASP 165 CO 0.38 -0.54 1.64 1.67 1.18 0.00 0.00 175.17 179.49 1jrh n GLN 166 N -1.76 1.98 -1.97 8.23 7.27 -1.26 -4.76 117.38 125.11 1jrh n GLN 166 Ca 0.03 0.72 -0.41 0.00 0.07 0.00 0.00 57.00 57.41 1jrh n GLN 166 Cb 0.54 -2.49 -0.02 0.00 2.41 0.00 0.00 30.24 30.68 1jrh n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1jrh s ASP 167 N 1.88 6.60 0.29 1.69 2.15 0.11 -4.87 116.67 124.52 1jrh s ASP 167 Ca 0.84 2.73 0.13 0.00 0.43 0.00 0.00 52.55 56.69 1jrh s ASP 167 Cb -0.74 -2.63 0.40 0.00 -0.30 0.00 0.00 42.92 39.65 1jrh s ASP 167 CO 0.44 -0.74 1.61 0.77 -0.17 0.00 0.00 175.17 177.08 1jrh h SER 168 N 4.93 0.00 0.25 -0.34 4.64 -1.89 -2.94 113.55 118.20 1jrh h SER 168 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1jrh h SER 168 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1jrh h SER 168 CO 0.78 0.56 -0.12 0.11 -0.87 0.00 0.00 176.83 177.29 1jrh h LYS 169 N 0.00 -0.32 -3.90 4.77 6.56 -1.98 -3.42 116.57 118.27 1jrh h LYS 169 Ca -0.01 0.02 -0.56 0.00 -1.06 0.00 0.00 60.65 59.05 1jrh h LYS 169 Cb 1.11 0.07 -0.39 0.00 -0.57 0.00 0.00 32.23 32.45 1jrh h LYS 169 CO 0.07 0.01 -0.77 0.16 -2.06 0.00 0.00 179.45 176.86 1jrh s ASP 170 N -5.27 3.34 0.00 0.86 -4.77 -1.25 -5.03 116.67 104.55 1jrh s ASP 170 Ca -0.11 -0.99 -0.04 0.00 -3.30 0.00 0.00 52.55 48.11 1jrh s ASP 170 Cb 0.01 -0.85 -0.05 0.00 -1.09 0.00 0.00 42.92 40.94 1jrh s ASP 170 CO 0.40 -0.28 0.65 -1.20 0.70 0.00 0.00 175.17 175.45 1jrh n SER 171 N 4.88 0.01 -4.83 2.11 7.64 -1.11 -4.36 113.62 117.96 1jrh n SER 171 Ca -0.10 -1.35 -0.25 0.00 1.01 0.00 0.00 58.87 58.18 1jrh n SER 171 Cb 0.46 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 1jrh n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jrh s THR 172 N 3.57 2.12 0.32 0.44 -4.23 -1.25 -4.78 115.64 111.84 1jrh s THR 172 Ca 0.08 -1.55 0.06 0.00 -1.18 0.00 0.00 61.69 59.10 1jrh s THR 172 Cb 0.02 -2.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.12 1jrh s THR 172 CO 0.04 0.00 0.00 -0.31 -0.54 0.00 0.00 174.62 173.81 1jrh s TYR 173 N -2.64 2.07 0.14 3.99 2.02 0.34 0.05 117.35 123.33 1jrh s TYR 173 Ca 0.39 -0.79 -0.09 0.00 -0.37 0.00 0.00 57.07 56.20 1jrh s TYR 173 Cb -0.00 -1.31 -0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1jrh s TYR 173 CO 0.23 0.21 0.27 -1.12 -1.57 0.00 0.00 175.55 173.56 1jrh s SER 174 N -3.51 0.04 -0.06 2.29 0.01 -1.26 -0.10 113.70 111.11 1jrh s SER 174 Ca 0.33 -0.77 -0.27 0.00 1.31 0.00 0.00 55.95 56.55 1jrh s SER 174 Cb 0.07 0.42 0.06 0.00 0.21 0.00 0.00 66.02 66.77 1jrh s SER 174 CO 0.15 -0.85 0.61 0.00 0.41 0.00 0.00 173.24 173.55 1jrh s MET 175 N -3.93 0.96 0.04 12.44 0.00 0.12 -1.20 119.30 127.73 1jrh s MET 175 Ca 0.13 0.25 0.07 0.00 0.00 0.00 0.00 55.69 56.13 1jrh s MET 175 Cb 0.04 0.45 -0.02 0.00 0.00 0.00 0.00 34.83 35.29 1jrh s MET 175 CO -0.04 -0.28 -0.19 -1.12 0.00 0.00 0.00 175.02 173.39 1jrh s SER 176 N -1.05 2.27 0.00 -1.18 0.01 -0.26 -1.06 113.70 112.43 1jrh s SER 176 Ca -0.10 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1jrh s SER 176 Cb -0.01 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1jrh s SER 176 CO 0.08 0.14 0.00 -1.20 0.41 0.00 0.00 173.24 172.67 1jrh n SER 177 N 1.91 0.00 0.00 2.44 7.64 -1.20 -2.26 113.62 122.15 1jrh n SER 177 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1jrh n SER 177 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1jrh n SER 177 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1jrh n THR 193 N 0.00 0.00 -3.77 0.44 -2.24 -1.26 -2.19 114.28 105.26 1jrh n THR 193 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1jrh n THR 193 Cb 0.00 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.06 1jrh n THR 193 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jrh s GLU 195 N 1.87 0.66 0.37 0.00 -1.05 -1.14 0.19 118.70 119.60 1jrh s GLU 195 Ca 0.02 -1.14 0.04 0.00 -0.15 0.00 0.00 54.97 53.75 1jrh s GLU 195 Cb -0.12 -0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.50 1jrh s GLU 195 CO -0.04 -0.04 0.14 0.00 0.95 0.00 0.00 175.26 176.27 1jrh n ALA 196 N 0.40 0.54 -3.35 -0.84 0.00 -0.77 -1.18 120.51 115.31 1jrh n ALA 196 Ca -0.16 -1.90 -0.13 0.00 0.00 0.00 0.00 53.44 51.26 1jrh n ALA 196 Cb 0.59 1.29 -0.07 0.00 0.00 0.00 0.00 19.45 21.26 1jrh n ALA 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jrh s THR 197 N -2.98 -0.50 0.06 0.00 2.01 -0.75 -3.76 115.64 109.72 1jrh s THR 197 Ca 0.20 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.77 1jrh s THR 197 Cb 0.01 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1jrh s THR 197 CO 0.14 -0.41 -0.20 -2.28 -0.69 0.00 0.00 174.62 171.19 1jrh s HIS 198 N 2.22 1.74 -2.00 4.92 2.46 -1.26 -3.82 115.29 119.55 1jrh s HIS 198 Ca 0.11 -0.38 0.01 0.00 0.47 0.00 0.00 55.06 55.27 1jrh s HIS 198 Cb -0.13 -1.02 0.03 0.00 -0.13 0.00 0.00 32.58 31.33 1jrh s HIS 198 CO -0.25 0.11 0.34 0.36 -2.47 0.00 0.00 174.74 172.83 1jrh n LYS 199 N 1.69 0.30 0.00 2.88 2.85 -1.26 -2.16 118.16 122.46 1jrh n LYS 199 Ca -0.18 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.22 1jrh n LYS 199 Cb 0.53 -1.03 0.50 0.00 -0.65 0.00 0.00 35.03 34.39 1jrh n LYS 199 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1jrh n THR 200 N -0.53 0.00 -2.09 0.58 -2.24 -1.26 -4.91 114.28 103.83 1jrh n THR 200 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1jrh n THR 200 Cb 0.00 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1jrh n THR 200 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jrh n SER 201 N -1.03 0.00 0.00 3.42 7.64 -0.92 -5.02 113.62 117.72 1jrh n SER 201 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1jrh n SER 201 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1jrh n SER 201 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jrh n THR 202 N 0.00 0.00 -2.08 0.44 -1.04 -1.26 -4.79 114.28 105.55 1jrh n THR 202 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1jrh n THR 202 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1jrh n THR 202 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1jrh s SER 203 N -1.78 5.54 -0.01 8.00 1.04 -1.26 -4.91 113.70 120.32 1jrh s SER 203 Ca 0.00 0.55 -0.34 0.00 0.48 0.00 0.00 55.95 56.64 1jrh s SER 203 Cb 0.00 -2.53 -0.13 0.00 0.10 0.00 0.00 66.02 63.46 1jrh s SER 203 CO 0.00 -2.12 1.75 -2.65 0.98 0.00 0.00 173.24 171.20 1jrh n PRO 204 N 8.93 2.08 -2.25 4.02 -0.02 -1.26 -4.90 135.00 141.60 1jrh n PRO 204 Ca 0.20 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 1jrh n PRO 204 Cb 0.50 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1jrh n PRO 204 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1jrh s ILE 205 N 2.87 3.91 -0.18 4.25 1.10 -1.25 -4.82 121.20 127.08 1jrh s ILE 205 Ca 0.88 1.04 -0.01 0.00 -0.51 0.00 0.00 60.65 62.05 1jrh s ILE 205 Cb -0.72 -3.87 0.00 0.00 0.15 0.00 0.00 42.46 38.02 1jrh s ILE 205 CO 0.48 -0.31 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.18 1jrh s VAL 206 N 4.61 2.78 -0.45 4.00 1.01 -1.26 -1.84 120.40 129.24 1jrh s VAL 206 Ca 0.64 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1jrh s VAL 206 Cb -0.22 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1jrh s VAL 206 CO 0.25 0.49 0.61 1.17 0.00 0.00 0.00 175.10 177.63