#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjx n GLU 2 N 0.00 0.00 -0.10 1.45 2.13 -1.26 -4.51 120.64 118.34 1jjx n GLU 2 Ca 0.00 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.04 1jjx n GLU 2 Cb 0.00 0.00 0.66 0.00 0.27 0.00 0.00 31.44 32.37 1jjx n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jjx h ALA 3 N 0.00 2.53 0.00 4.31 0.00 -2.05 -2.38 119.26 121.68 1jjx h ALA 3 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jjx h ALA 3 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jjx h ALA 3 CO 0.00 -0.74 0.00 0.74 0.00 0.00 0.00 179.25 179.25 1jjx h PHE 4 N 0.10 0.00 -1.06 0.00 0.04 -1.98 -3.46 116.94 110.59 1jjx h PHE 4 Ca 0.35 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.64 1jjx h PHE 4 Cb 1.23 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.30 1jjx h PHE 4 CO -0.00 0.00 1.17 0.00 -0.60 0.00 0.00 178.31 178.88 1jjx s ALA 6 N 7.18 -1.74 0.14 0.00 0.00 -0.92 -5.02 121.76 121.39 1jjx s ALA 6 Ca 0.56 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 1jjx s ALA 6 Cb -0.04 0.61 -0.07 0.00 0.00 0.00 0.00 23.12 23.62 1jjx s ALA 6 CO -0.04 -1.05 1.02 0.99 0.00 0.00 0.00 175.76 176.69 1jjx s THR 7 N -3.10 4.21 -0.21 0.00 2.01 -1.26 -1.47 115.64 115.83 1jjx s THR 7 Ca 0.13 1.87 0.02 0.00 0.31 0.00 0.00 61.69 64.02 1jjx s THR 7 Cb -0.01 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.34 1jjx s THR 7 CO 0.02 0.30 -0.17 0.26 -0.69 0.00 0.00 174.62 174.34 1jjx s TRP 8 N -0.12 2.94 -0.20 4.92 0.52 -0.45 -0.54 118.94 126.00 1jjx s TRP 8 Ca 0.48 -1.87 -0.09 0.00 0.02 0.00 0.00 56.10 54.64 1jjx s TRP 8 Cb -0.26 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1jjx s TRP 8 CO 0.32 -0.83 0.10 0.15 0.02 0.00 0.00 176.95 176.71 1jjx s LYS 9 N 1.23 4.02 -0.15 4.98 1.02 -0.37 -0.91 119.74 129.56 1jjx s LYS 9 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 1jjx s LYS 9 Cb -0.15 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1jjx s LYS 9 CO -0.10 0.20 1.55 -1.17 -0.92 0.00 0.00 175.35 174.91 1jjx s LEU 10 N 0.62 4.12 -0.24 3.17 0.20 -1.26 -1.21 118.68 124.06 1jjx s LEU 10 Ca 0.05 1.86 -0.07 0.00 0.69 0.00 0.00 54.13 56.66 1jjx s LEU 10 Cb -0.13 -3.53 -0.17 0.00 -0.43 0.00 0.00 46.19 41.94 1jjx s LEU 10 CO 0.01 -1.03 -0.16 0.35 -0.29 0.00 0.00 176.35 175.24 1jjx n THR 11 N 5.84 1.55 -3.62 3.68 -2.24 0.37 -4.97 114.28 114.89 1jjx n THR 11 Ca 0.17 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1jjx n THR 11 Cb 0.44 -1.69 -0.12 0.00 -2.10 0.00 0.00 70.33 66.86 1jjx n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jjx s ASN 12 N -6.98 0.38 -0.69 3.42 2.47 -1.19 -4.99 114.94 107.34 1jjx s ASN 12 Ca -0.34 0.53 -0.16 0.00 0.42 0.00 0.00 52.86 53.30 1jjx s ASN 12 Cb 0.11 0.79 0.15 0.00 -1.45 0.00 0.00 41.25 40.85 1jjx s ASN 12 CO 0.58 -0.25 0.72 -0.94 -3.72 0.00 0.00 177.10 173.48 1jjx s SER 13 N 2.45 6.43 -0.29 -4.21 1.04 -1.26 -0.98 113.70 116.88 1jjx s SER 13 Ca 0.02 -2.02 -0.29 0.00 0.48 0.00 0.00 55.95 54.14 1jjx s SER 13 Cb -0.13 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1jjx s SER 13 CO -0.10 -0.86 1.07 -1.58 0.98 0.00 0.00 173.24 172.75 1jjx s GLN 14 N 1.54 4.12 -2.01 4.02 0.74 0.10 -4.24 119.66 123.93 1jjx s GLN 14 Ca 0.14 1.17 0.00 0.00 0.05 0.00 0.00 55.36 56.71 1jjx s GLN 14 Cb -0.19 -3.71 0.00 0.00 1.10 0.00 0.00 33.01 30.21 1jjx s GLN 14 CO -0.02 -0.82 0.00 -1.71 -0.55 0.00 0.00 175.29 172.19 1jjx n ASN 15 N 6.71 -5.55 -0.18 6.67 5.15 -1.26 -1.13 115.26 125.68 1jjx n ASN 15 Ca 0.12 0.33 -0.08 0.00 -0.60 0.00 0.00 54.58 54.35 1jjx n ASN 15 Cb 0.47 -4.75 0.06 0.00 -0.53 0.00 0.00 39.78 35.03 1jjx n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1jjx h PHE 16 N 0.00 1.08 0.02 1.20 3.57 -1.92 -2.68 116.94 118.22 1jjx h PHE 16 Ca -0.44 -0.19 0.03 0.00 3.53 0.00 0.00 57.97 60.90 1jjx h PHE 16 Cb 1.33 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 1jjx h PHE 16 CO 0.56 0.98 -0.34 0.22 -2.23 0.00 0.00 178.31 177.50 1jjx h ASP 17 N 0.89 -1.00 -0.09 0.41 3.58 -1.92 -1.40 116.42 116.89 1jjx h ASP 17 Ca 0.15 0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.64 1jjx h ASP 17 Cb 0.58 0.40 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1jjx h ASP 17 CO 0.04 -0.40 -0.21 -0.08 -2.88 0.00 0.00 179.24 175.71 1jjx h GLU 18 N -0.50 0.50 -0.04 0.28 4.57 -1.99 -1.28 114.58 116.11 1jjx h GLU 18 Ca 0.05 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1jjx h GLU 18 Cb 0.58 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 1jjx h GLU 18 CO -0.26 0.68 -0.26 -0.92 -1.18 0.00 0.00 179.01 177.08 1jjx h TYR 19 N 0.45 -0.69 -0.43 0.92 3.20 -1.44 -1.01 116.97 117.97 1jjx h TYR 19 Ca 0.07 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1jjx h TYR 19 Cb 0.61 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1jjx h TYR 19 CO 0.02 -0.34 0.21 0.52 -1.64 0.00 0.00 178.16 176.92 1jjx h MET 20 N -0.37 0.41 -0.40 1.82 2.86 -1.07 0.20 114.93 118.38 1jjx h MET 20 Ca 0.07 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1jjx h MET 20 Cb 0.48 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1jjx h MET 20 CO -0.26 0.27 0.18 -0.22 1.06 0.00 0.00 176.91 177.94 1jjx h LYS 21 N 0.42 0.35 -0.70 1.72 1.63 -1.27 -2.65 116.57 116.08 1jjx h LYS 21 Ca 0.19 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1jjx h LYS 21 Cb 0.10 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1jjx h LYS 21 CO -0.14 0.23 0.33 0.00 -3.45 0.00 0.00 179.45 176.42 1jjx h ALA 22 N 1.23 0.91 0.00 5.00 0.00 -1.03 -2.92 119.26 122.44 1jjx h ALA 22 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jjx h ALA 22 Cb 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jjx h ALA 22 CO -0.15 0.48 0.14 1.25 0.00 0.00 0.00 179.25 180.97 1jjx h LEU 23 N 0.98 0.00 -2.10 0.00 5.85 -0.93 -3.47 115.31 115.65 1jjx h LEU 23 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1jjx h LEU 23 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1jjx h LEU 23 CO -0.03 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.68 1jjx n GLY 24 N -1.18 0.88 3.92 3.75 0.00 -1.10 -5.08 105.19 106.39 1jjx n GLY 24 Ca -0.02 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1jjx n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jjx s VAL 25 N -2.70 5.13 0.78 1.61 -7.23 -1.02 -5.05 120.40 111.93 1jjx s VAL 25 Ca 0.00 -0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 59.80 1jjx s VAL 25 Cb 0.00 -3.75 0.06 0.00 0.56 0.00 0.00 36.38 33.25 1jjx s VAL 25 CO 0.00 -0.28 1.09 -0.83 -0.31 0.00 0.00 175.10 174.78 1jjx s GLY 26 N -3.30 1.63 0.32 2.32 0.00 -1.26 -4.88 107.32 102.15 1jjx s GLY 26 Ca 0.40 -0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.96 1jjx s GLY 26 CO 0.30 0.21 1.88 -2.75 0.00 0.00 0.00 173.10 172.74 1jjx h PHE 27 N -1.02 0.96 -0.44 1.90 3.57 -2.00 -3.02 116.94 116.89 1jjx h PHE 27 Ca -0.47 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.14 1jjx h PHE 27 Cb 1.26 -0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 1jjx h PHE 27 CO 0.48 0.42 -0.01 0.00 -2.23 0.00 0.00 178.31 176.97 1jjx h ALA 28 N 1.56 0.39 -0.59 2.41 0.00 -1.98 0.21 119.26 121.26 1jjx h ALA 28 Ca 0.43 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.40 1jjx h ALA 28 Cb 0.47 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1jjx h ALA 28 CO -0.19 -0.40 0.09 1.15 0.00 0.00 0.00 179.25 179.90 1jjx h THR 29 N 0.10 1.26 -0.47 0.00 2.02 -1.82 -0.74 112.91 113.25 1jjx h THR 29 Ca 0.22 -1.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 1jjx h THR 29 Cb 0.32 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1jjx h THR 29 CO -0.37 0.37 -0.00 0.08 0.37 0.00 0.00 175.52 175.96 1jjx h ARG 30 N 0.88 0.84 -0.17 6.66 0.11 -1.53 0.28 114.38 121.46 1jjx h ARG 30 Ca 0.18 -0.27 0.01 0.00 0.10 0.00 0.00 59.98 60.00 1jjx h ARG 30 Cb 0.43 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 1jjx h ARG 30 CO 0.01 0.89 0.08 0.37 0.10 0.00 0.00 179.97 181.42 1jjx h GLN 31 N 0.69 0.17 0.75 0.08 5.75 -0.94 -2.47 115.11 119.14 1jjx h GLN 31 Ca 0.13 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1jjx h GLN 31 Cb 0.51 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 1jjx h GLN 31 CO 0.03 0.11 -0.47 0.28 -2.65 0.00 0.00 178.83 176.13 1jjx h VAL 32 N 0.18 0.00 -0.57 2.39 2.07 -1.21 -3.17 116.25 115.94 1jjx h VAL 32 Ca 0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.74 1jjx h VAL 32 Cb 0.02 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 1jjx h VAL 32 CO -0.05 0.00 0.41 1.23 0.02 0.00 0.00 177.57 179.18 1jjx h GLY 33 N -1.14 0.10 0.96 2.17 0.00 -0.94 -1.58 103.07 102.63 1jjx h GLY 33 Ca -0.10 -0.03 -0.23 0.00 0.00 0.00 0.00 47.33 46.97 1jjx h GLY 33 CO 0.10 0.01 -0.99 3.43 0.00 0.00 0.00 176.54 179.09 1jjx h ASN 34 N 0.06 0.67 -0.11 0.19 2.35 -1.57 -3.40 115.58 113.77 1jjx h ASN 34 Ca 0.27 -0.86 -0.17 0.00 -0.55 0.00 0.00 56.30 54.99 1jjx h ASN 34 Cb 1.01 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 39.17 1jjx h ASN 34 CO -0.02 1.47 -0.60 -0.37 -1.65 0.00 0.00 177.43 176.26 1jjx h VAL 35 N -0.02 1.34 -3.35 2.81 -1.51 -1.43 -3.46 116.25 110.63 1jjx h VAL 35 Ca -0.16 -1.88 -0.55 0.00 -1.23 0.00 0.00 66.70 62.88 1jjx h VAL 35 Cb 1.72 2.15 -0.03 0.00 -2.13 0.00 0.00 31.29 32.99 1jjx h VAL 35 CO 0.19 0.58 -0.14 0.28 -1.23 0.00 0.00 177.57 177.25 1jjx s THR 36 N -3.68 4.95 -0.59 7.19 -1.32 -0.63 -5.08 115.64 116.48 1jjx s THR 36 Ca -0.12 0.53 -0.16 0.00 -1.21 0.00 0.00 61.69 60.73 1jjx s THR 36 Cb 0.06 -3.65 0.14 0.00 -1.51 0.00 0.00 72.50 67.54 1jjx s THR 36 CO 0.85 0.06 0.56 -0.54 -2.21 0.00 0.00 174.62 173.34 1jjx s LYS 37 N -2.47 3.09 -0.15 7.08 3.01 -1.26 -4.76 119.74 124.28 1jjx s LYS 37 Ca 0.43 -1.80 -0.29 0.00 -1.01 0.00 0.00 55.97 53.29 1jjx s LYS 37 Cb -0.13 -4.32 -0.04 0.00 -1.01 0.00 0.00 37.83 32.34 1jjx s LYS 37 CO 0.21 -1.34 1.59 -1.25 0.51 0.00 0.00 175.35 175.07 1jjx s PRO 38 N 1.45 3.99 -0.18 -1.68 0.04 -1.26 -4.76 135.00 132.60 1jjx s PRO 38 Ca 0.06 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 1jjx s PRO 38 Cb -0.26 -3.99 -0.03 0.00 0.04 0.00 0.00 34.50 30.25 1jjx s PRO 38 CO 0.01 -1.06 0.51 0.99 0.04 0.00 0.00 177.00 177.49 1jjx s THR 39 N 4.57 5.13 -0.46 1.26 2.01 0.16 -4.48 115.64 123.84 1jjx s THR 39 Ca 0.70 0.95 -0.08 0.00 0.31 0.00 0.00 61.69 63.57 1jjx s THR 39 Cb -0.28 -3.83 0.12 0.00 0.01 0.00 0.00 72.50 68.52 1jjx s THR 39 CO 0.28 0.21 0.31 -0.69 -0.69 0.00 0.00 174.62 174.04 1jjx s VAL 40 N 1.40 4.00 -0.46 3.82 1.01 -0.09 -0.71 120.40 129.37 1jjx s VAL 40 Ca 0.24 -1.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 1jjx s VAL 40 Cb -0.15 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1jjx s VAL 40 CO 0.10 -0.75 0.72 -0.63 0.00 0.00 0.00 175.10 174.53 1jjx s ILE 41 N 1.31 4.73 -0.45 2.22 1.01 -0.19 -1.34 121.20 128.50 1jjx s ILE 41 Ca 0.06 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.68 1jjx s ILE 41 Cb -0.25 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 37.96 1jjx s ILE 41 CO -0.02 -0.70 0.76 -0.63 0.00 0.00 0.00 174.94 174.36 1jjx s ILE 42 N 3.07 4.68 -0.17 2.92 1.01 -0.54 -0.67 121.20 131.49 1jjx s ILE 42 Ca 0.25 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1jjx s ILE 42 Cb -0.14 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.07 1jjx s ILE 42 CO 0.20 -0.69 -0.12 -0.94 0.00 0.00 0.00 174.94 173.39 1jjx s SER 43 N 2.11 2.98 -0.20 3.58 1.04 -0.30 -2.18 113.70 120.72 1jjx s SER 43 Ca 0.29 -0.66 -0.24 0.00 0.48 0.00 0.00 55.95 55.81 1jjx s SER 43 Cb -0.12 -1.18 -0.01 0.00 0.10 0.00 0.00 66.02 64.80 1jjx s SER 43 CO 0.22 -0.10 0.80 -1.10 0.98 0.00 0.00 173.24 174.04 1jjx s GLN 44 N 1.46 4.24 -0.45 4.02 -0.21 -1.26 -0.29 119.66 127.17 1jjx s GLN 44 Ca 0.02 0.93 0.02 0.00 0.02 0.00 0.00 55.36 56.36 1jjx s GLN 44 Cb -0.14 -3.60 0.14 0.00 1.00 0.00 0.00 33.01 30.40 1jjx s GLN 44 CO -0.09 -0.39 0.24 -1.83 -2.12 0.00 0.00 175.29 171.10 1jjx s GLU 45 N 2.40 1.33 5.33 2.91 4.04 -0.64 -5.00 118.70 129.08 1jjx s GLU 45 Ca 0.36 -2.06 0.00 0.00 0.04 0.00 0.00 54.97 53.31 1jjx s GLU 45 Cb -0.16 -2.39 0.00 0.00 0.02 0.00 0.00 34.13 31.60 1jjx s GLU 45 CO 0.10 -1.16 0.00 0.41 -1.84 0.00 0.00 175.26 172.77 1jjx n GLY 46 N 3.49 1.81 0.11 -3.83 0.00 -1.26 -3.56 105.19 101.95 1jjx n GLY 46 Ca 0.09 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1jjx n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jjx n ASP 47 N 9.02 1.19 -4.83 1.61 2.03 -1.26 -5.02 116.55 119.29 1jjx n ASP 47 Ca 0.00 0.10 -0.35 0.00 0.52 0.00 0.00 54.79 55.06 1jjx n ASP 47 Cb 0.00 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.32 1jjx n ASP 47 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1jjx s LYS 48 N -2.54 4.15 -0.34 -0.67 -2.85 -1.23 -4.71 119.74 111.55 1jjx s LYS 48 Ca -0.18 0.77 -0.16 0.00 -1.00 0.00 0.00 55.97 55.40 1jjx s LYS 48 Cb 0.07 -2.72 -0.01 0.00 -2.06 0.00 0.00 37.83 33.11 1jjx s LYS 48 CO 0.75 0.32 0.40 0.08 0.10 0.00 0.00 175.35 177.00 1jjx s VAL 49 N -1.68 5.13 -0.48 1.79 1.01 0.21 -1.62 120.40 124.77 1jjx s VAL 49 Ca 0.47 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.47 1jjx s VAL 49 Cb -0.14 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.49 1jjx s VAL 49 CO 0.20 -0.10 0.40 -0.69 0.00 0.00 0.00 175.10 174.91 1jjx s VAL 50 N 2.11 4.92 -0.29 2.92 1.01 0.61 -2.03 120.40 129.64 1jjx s VAL 50 Ca 0.14 -1.36 -0.19 0.00 0.00 0.00 0.00 61.98 60.57 1jjx s VAL 50 Cb -0.16 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1jjx s VAL 50 CO 0.12 -0.69 0.58 -0.63 0.00 0.00 0.00 175.10 174.48 1jjx s ILE 51 N 1.55 5.00 -0.36 2.22 1.01 -0.54 -1.15 121.20 128.92 1jjx s ILE 51 Ca 0.04 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.45 1jjx s ILE 51 Cb -0.26 -3.93 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1jjx s ILE 51 CO 0.04 -0.06 0.15 -0.13 0.00 0.00 0.00 174.94 174.94 1jjx s ARG 52 N 2.47 2.54 -0.63 2.79 0.52 0.15 -1.14 118.95 125.65 1jjx s ARG 52 Ca 0.23 -1.32 -0.22 0.00 -0.52 0.00 0.00 55.73 53.90 1jjx s ARG 52 Cb -0.15 -3.54 0.08 0.00 0.52 0.00 0.00 34.95 31.85 1jjx s ARG 52 CO 0.11 -0.78 0.89 0.99 0.02 0.00 0.00 175.30 176.53 1jjx s THR 53 N 1.37 4.46 -0.21 0.02 2.01 0.16 -1.03 115.64 122.44 1jjx s THR 53 Ca 0.00 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1jjx s THR 53 Cb -0.21 -4.62 0.01 0.00 0.01 0.00 0.00 72.50 67.69 1jjx s THR 53 CO 0.02 -1.34 -0.11 -0.76 -0.69 0.00 0.00 174.62 171.73 1jjx s LEU 54 N 3.68 2.61 0.00 4.42 1.43 0.11 -2.18 118.68 128.75 1jjx s LEU 54 Ca 0.20 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1jjx s LEU 54 Cb -0.19 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1jjx s LEU 54 CO 0.10 -0.02 0.01 -1.20 0.23 0.00 0.00 176.35 175.46 1jjx n SER 55 N 4.71 2.92 0.22 2.29 7.64 -0.23 -0.66 113.62 130.51 1jjx n SER 55 Ca -0.19 -2.76 0.06 0.00 1.01 0.00 0.00 58.87 56.99 1jjx n SER 55 Cb 0.50 0.34 0.56 0.00 -1.01 0.00 0.00 64.21 64.60 1jjx n SER 55 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1jjx h THR 56 N 1.24 1.07 0.00 0.44 1.35 -1.96 -3.42 112.91 111.63 1jjx h THR 56 Ca -0.33 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1jjx h THR 56 Cb 1.01 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1jjx h THR 56 CO 0.54 0.09 -0.58 0.49 -0.25 0.00 0.00 175.52 175.82 1jjx n PHE 57 N -4.43 -0.04 -2.93 4.73 3.72 -1.26 -5.07 117.46 112.18 1jjx n PHE 57 Ca -0.02 0.01 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 1jjx n PHE 57 Cb 0.16 0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 1jjx n PHE 57 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1jjx s LYS 58 N -2.00 4.60 -0.20 -1.08 -0.14 -1.26 -5.08 119.74 114.59 1jjx s LYS 58 Ca 0.00 1.21 -0.04 0.00 -1.36 0.00 0.00 55.97 55.78 1jjx s LYS 58 Cb 0.00 -3.30 0.07 0.00 -1.68 0.00 0.00 37.83 32.92 1jjx s LYS 58 CO 0.00 0.47 0.07 1.21 -0.76 0.00 0.00 175.35 176.34 1jjx s ASN 59 N -0.80 2.77 -0.04 2.83 3.84 -1.26 -1.06 114.94 121.22 1jjx s ASN 59 Ca 0.38 -0.81 -0.04 0.00 0.21 0.00 0.00 52.86 52.60 1jjx s ASN 59 Cb -0.23 -0.43 0.01 0.00 -0.55 0.00 0.00 41.25 40.05 1jjx s ASN 59 CO 0.27 -0.34 0.11 0.28 -2.79 0.00 0.00 177.10 174.63 1jjx s THR 60 N 1.99 0.01 -0.01 -5.21 -1.32 -0.92 -5.05 115.64 105.13 1jjx s THR 60 Ca 0.02 -0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1jjx s THR 60 Cb -0.17 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1jjx s THR 60 CO -0.12 -0.03 -0.04 -1.83 -2.21 0.00 0.00 174.62 170.39 1jjx s GLU 61 N -0.06 0.37 -0.12 7.08 -1.05 -1.26 -0.67 118.70 122.99 1jjx s GLU 61 Ca -0.01 -0.12 0.02 0.00 -0.15 0.00 0.00 54.97 54.71 1jjx s GLU 61 Cb -0.01 -0.38 0.01 0.00 -0.44 0.00 0.00 34.13 33.31 1jjx s GLU 61 CO 0.00 0.05 -0.18 0.96 0.95 0.00 0.00 175.26 177.04 1jjx s ILE 62 N 0.12 1.72 -0.36 1.83 -4.36 -0.29 -4.97 121.20 114.88 1jjx s ILE 62 Ca -0.01 -0.77 -0.05 0.00 -0.26 0.00 0.00 60.65 59.56 1jjx s ILE 62 Cb -0.04 -1.55 0.07 0.00 1.25 0.00 0.00 42.46 42.19 1jjx s ILE 62 CO -0.00 0.48 0.14 -0.94 0.24 0.00 0.00 174.94 174.86 1jjx s SER 63 N 0.97 5.29 -0.00 4.36 1.04 -1.26 -1.46 113.70 122.63 1jjx s SER 63 Ca -0.06 -1.44 0.02 0.00 0.48 0.00 0.00 55.95 54.95 1jjx s SER 63 Cb -0.15 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.11 1jjx s SER 63 CO -0.03 -0.41 -0.08 0.72 0.98 0.00 0.00 173.24 174.43 1jjx s PHE 64 N 1.32 0.68 -0.61 5.02 -0.12 -0.86 -4.93 117.98 118.47 1jjx s PHE 64 Ca 0.01 -0.14 -0.01 0.00 -0.05 0.00 0.00 56.93 56.75 1jjx s PHE 64 Cb -0.21 -0.43 0.47 0.00 -0.63 0.00 0.00 43.02 42.22 1jjx s PHE 64 CO 0.00 -0.01 1.95 1.04 -0.05 0.00 0.00 175.22 178.15 1jjx n GLN 65 N 2.85 2.72 -2.60 1.99 6.02 -1.26 -0.61 117.38 126.49 1jjx n GLN 65 Ca -0.13 -3.34 -0.04 0.00 -0.01 0.00 0.00 57.00 53.47 1jjx n GLN 65 Cb 0.57 -2.27 -0.04 0.00 1.02 0.00 0.00 30.24 29.52 1jjx n GLN 65 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jjx n LEU 66 N -0.92 -6.50 0.00 1.08 4.77 -1.26 -4.56 117.00 109.60 1jjx n LEU 66 Ca 0.61 2.08 0.00 0.00 -0.03 0.00 0.00 56.01 58.67 1jjx n LEU 66 Cb 0.77 -3.27 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 1jjx n LEU 66 CO 0.74 -3.80 0.00 0.61 -1.33 0.00 0.00 177.39 173.61 1jjx n GLY 67 N 1.44 0.83 3.69 -0.72 0.00 -0.22 -5.01 105.19 105.20 1jjx n GLY 67 Ca -0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1jjx n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjx s GLU 68 N -0.45 4.28 -0.21 1.61 2.12 -1.26 -4.85 118.70 119.95 1jjx s GLU 68 Ca 0.00 1.95 -0.19 0.00 0.36 0.00 0.00 54.97 57.09 1jjx s GLU 68 Cb 0.00 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1jjx s GLU 68 CO 0.00 -0.57 0.53 -2.00 -0.54 0.00 0.00 175.26 172.68 1jjx s GLU 69 N 2.42 4.18 -0.06 4.30 -6.30 -1.26 -3.97 118.70 118.01 1jjx s GLU 69 Ca 0.63 0.43 -0.10 0.00 -2.50 0.00 0.00 54.97 53.43 1jjx s GLU 69 Cb -0.31 -3.58 0.02 0.00 0.00 0.00 0.00 34.13 30.26 1jjx s GLU 69 CO 0.26 -0.19 0.24 -0.59 0.02 0.00 0.00 175.26 175.01 1jjx s PHE 70 N 1.76 -0.19 0.32 5.30 -0.12 -0.71 -4.88 117.98 119.46 1jjx s PHE 70 Ca 0.24 0.41 -0.27 0.00 -0.05 0.00 0.00 56.93 57.26 1jjx s PHE 70 Cb -0.15 0.06 -0.09 0.00 -0.63 0.00 0.00 43.02 42.21 1jjx s PHE 70 CO 0.10 -0.23 1.08 -0.51 -0.05 0.00 0.00 175.22 175.61 1jjx s ASP 71 N -0.53 7.08 -0.13 1.98 1.01 -1.26 -0.40 116.67 124.43 1jjx s ASP 71 Ca -0.06 2.19 -0.10 0.00 0.71 0.00 0.00 52.55 55.28 1jjx s ASP 71 Cb -0.04 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.32 1jjx s ASP 71 CO 0.02 -0.27 0.33 -1.83 0.21 0.00 0.00 175.17 173.63 1jjx s GLU 72 N -1.82 0.37 -0.63 8.23 4.04 -1.12 -4.91 118.70 122.86 1jjx s GLU 72 Ca 0.49 0.52 -0.26 0.00 0.04 0.00 0.00 54.97 55.76 1jjx s GLU 72 Cb -0.28 0.11 0.04 0.00 0.02 0.00 0.00 34.13 34.02 1jjx s GLU 72 CO 0.36 -0.08 1.14 0.99 -1.84 0.00 0.00 175.26 175.83 1jjx s THR 73 N 0.52 4.04 1.06 1.83 2.01 -1.26 -1.77 115.64 122.07 1jjx s THR 73 Ca -0.03 0.48 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 1jjx s THR 73 Cb -0.04 -4.74 0.22 0.00 0.01 0.00 0.00 72.50 67.95 1jjx s THR 73 CO -0.03 -1.47 1.15 0.42 -0.69 0.00 0.00 174.62 174.01 1jjx s THR 74 N 4.89 1.83 -1.06 -0.82 -4.23 -1.13 -4.85 115.64 110.26 1jjx s THR 74 Ca 0.35 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1jjx s THR 74 Cb -0.10 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1jjx s THR 74 CO 0.19 0.00 0.97 0.00 -0.54 0.00 0.00 174.62 175.24 1jjx n ALA 75 N -4.26 1.03 -1.01 3.99 0.00 -1.26 -1.05 120.51 117.95 1jjx n ALA 75 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1jjx n ALA 75 Cb 0.59 -1.00 0.27 0.00 0.00 0.00 0.00 19.45 19.31 1jjx n ALA 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jjx n ASP 76 N -1.47 3.96 -2.65 0.00 2.03 -1.26 -4.74 116.55 112.42 1jjx n ASP 76 Ca 0.00 -3.04 -0.18 0.00 0.52 0.00 0.00 54.79 52.09 1jjx n ASP 76 Cb 0.00 -0.56 -0.00 0.00 -0.72 0.00 0.00 41.12 39.84 1jjx n ASP 76 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1jjx n ASP 77 N -0.47 -4.73 -4.71 1.67 8.00 -0.21 -5.02 116.55 111.09 1jjx n ASP 77 Ca 0.22 -0.01 -0.40 0.00 0.71 0.00 0.00 54.79 55.31 1jjx n ASP 77 Cb 0.92 -3.94 -0.05 0.00 -0.02 0.00 0.00 41.12 38.03 1jjx n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jjx s ARG 78 N -5.28 4.39 -0.94 -1.24 1.70 -1.26 -4.84 118.95 111.48 1jjx s ARG 78 Ca 0.10 0.81 -0.24 0.00 -0.47 0.00 0.00 55.73 55.93 1jjx s ARG 78 Cb -0.05 -3.47 0.04 0.00 -0.57 0.00 0.00 34.95 30.89 1jjx s ARG 78 CO 0.13 0.00 1.45 0.54 -1.08 0.00 0.00 175.30 176.34 1jjx s ASN 79 N 0.86 6.30 -0.28 -2.89 4.22 -1.26 -2.83 114.94 119.06 1jjx s ASN 79 Ca 0.35 -1.12 -0.24 0.00 -2.14 0.00 0.00 52.86 49.71 1jjx s ASN 79 Cb -0.17 -2.57 -0.00 0.00 1.28 0.00 0.00 41.25 39.79 1jjx s ASN 79 CO 0.16 -1.69 0.80 0.00 -2.04 0.00 0.00 177.10 174.33 1jjx s LYS 81 N 2.90 2.62 -0.20 0.00 3.01 0.19 -2.78 119.74 125.48 1jjx s LYS 81 Ca 0.33 0.56 -0.02 0.00 -1.01 0.00 0.00 55.97 55.84 1jjx s LYS 81 Cb -0.15 -4.43 0.00 0.00 -1.01 0.00 0.00 37.83 32.25 1jjx s LYS 81 CO 0.10 -2.78 -0.11 -1.12 0.51 0.00 0.00 175.35 171.95 1jjx s SER 82 N 8.13 3.77 -0.23 2.83 0.01 0.47 -1.02 113.70 127.67 1jjx s SER 82 Ca 0.68 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 57.43 1jjx s SER 82 Cb -0.12 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.51 1jjx s SER 82 CO 0.19 -0.00 -0.11 0.54 0.41 0.00 0.00 173.24 174.27 1jjx s VAL 83 N 1.35 2.51 -0.35 3.43 0.11 -0.68 -1.73 120.40 125.04 1jjx s VAL 83 Ca 0.05 -1.08 -0.12 0.00 -2.93 0.00 0.00 61.98 57.90 1jjx s VAL 83 Cb -0.14 -2.23 0.01 0.00 -1.53 0.00 0.00 36.38 32.49 1jjx s VAL 83 CO -0.07 0.28 0.21 -0.69 -3.33 0.00 0.00 175.10 171.50 1jjx s VAL 84 N 1.28 4.82 -0.19 2.04 1.01 -1.25 -1.62 120.40 126.49 1jjx s VAL 84 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1jjx s VAL 84 Cb -0.16 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1jjx s VAL 84 CO -0.07 -0.12 -0.09 -0.94 0.00 0.00 0.00 175.10 173.88 1jjx s SER 85 N 1.62 4.09 -0.68 3.32 1.04 -0.76 -1.05 113.70 121.28 1jjx s SER 85 Ca 0.04 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 1jjx s SER 85 Cb -0.18 -1.67 0.08 0.00 0.10 0.00 0.00 66.02 64.35 1jjx s SER 85 CO 0.08 0.04 0.93 -0.22 0.98 0.00 0.00 173.24 175.05 1jjx s LEU 86 N 1.10 4.68 -1.13 2.42 0.20 -1.26 -1.23 118.68 123.46 1jjx s LEU 86 Ca 0.01 -1.22 -0.05 0.00 0.69 0.00 0.00 54.13 53.56 1jjx s LEU 86 Cb -0.15 -2.39 0.27 0.00 -0.43 0.00 0.00 46.19 43.49 1jjx s LEU 86 CO -0.02 -1.33 1.65 -0.67 -0.29 0.00 0.00 176.35 175.69 1jjx n ASP 87 N 7.28 6.28 -2.35 3.68 2.03 -0.02 -4.85 116.55 128.59 1jjx n ASP 87 Ca -0.02 -3.36 -0.04 0.00 0.52 0.00 0.00 54.79 51.89 1jjx n ASP 87 Cb 0.45 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1jjx n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjx n GLY 88 N 1.54 -1.75 3.77 0.27 0.00 -1.26 -3.83 105.19 103.92 1jjx n GLY 88 Ca 0.33 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.99 1jjx n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jjx n ASP 89 N -0.17 -0.28 -4.05 1.61 2.03 -1.26 -4.99 116.55 109.44 1jjx n ASP 89 Ca 0.06 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 1jjx n ASP 89 Cb 0.23 -2.09 -0.14 0.00 -0.72 0.00 0.00 41.12 38.39 1jjx n ASP 89 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1jjx s LYS 90 N -0.86 1.64 -0.71 -0.67 1.02 -1.25 -3.68 119.74 115.22 1jjx s LYS 90 Ca 0.00 -1.88 -0.27 0.00 0.02 0.00 0.00 55.97 53.84 1jjx s LYS 90 Cb 0.00 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 1jjx s LYS 90 CO 0.00 -0.98 1.48 -0.51 -0.92 0.00 0.00 175.35 174.41 1jjx s LEU 91 N 0.93 3.21 -0.56 3.17 1.43 0.46 -0.84 118.68 126.48 1jjx s LEU 91 Ca 0.10 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1jjx s LEU 91 Cb -0.20 -2.55 0.13 0.00 0.03 0.00 0.00 46.19 43.60 1jjx s LEU 91 CO -0.07 -2.01 0.53 -0.69 0.23 0.00 0.00 176.35 174.34 1jjx s VAL 92 N 6.80 5.21 -0.67 -1.59 1.01 -0.37 -1.13 120.40 129.66 1jjx s VAL 92 Ca 0.46 -1.52 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1jjx s VAL 92 Cb -0.09 -4.36 0.06 0.00 0.00 0.00 0.00 36.38 31.99 1jjx s VAL 92 CO 0.15 -0.90 1.06 -2.28 0.00 0.00 0.00 175.10 173.13 1jjx s HIS 93 N 1.59 2.57 -0.53 5.22 5.04 -0.89 -1.83 115.29 126.46 1jjx s HIS 93 Ca 0.04 -0.35 -0.21 0.00 -1.54 0.00 0.00 55.06 53.00 1jjx s HIS 93 Cb -0.28 -4.37 0.05 0.00 0.04 0.00 0.00 32.58 28.01 1jjx s HIS 93 CO 0.02 -1.75 0.77 0.42 -2.34 0.00 0.00 174.74 171.87 1jjx s ILE 94 N 4.55 4.65 -0.23 0.89 1.01 -0.64 -1.97 121.20 129.46 1jjx s ILE 94 Ca 0.27 -0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 1jjx s ILE 94 Cb -0.14 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 1jjx s ILE 94 CO 0.13 -0.95 0.44 -1.10 0.00 0.00 0.00 174.94 173.46 1jjx s GLN 95 N 3.23 4.12 -0.12 2.79 -0.21 -0.11 -1.68 119.66 127.68 1jjx s GLN 95 Ca 0.22 0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.83 1jjx s GLN 95 Cb -0.16 -3.59 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 1jjx s GLN 95 CO 0.15 -0.18 -0.09 0.15 -2.12 0.00 0.00 175.29 173.20 1jjx s LYS 96 N 1.75 3.26 -0.26 2.91 1.02 -0.19 -2.25 119.74 125.99 1jjx s LYS 96 Ca 0.20 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1jjx s LYS 96 Cb -0.15 -2.68 0.10 0.00 -0.52 0.00 0.00 37.83 34.58 1jjx s LYS 96 CO 0.09 0.35 0.59 1.67 -0.92 0.00 0.00 175.35 177.13 1jjx s TRP 97 N 0.03 -1.05 -1.84 3.18 -2.14 -0.53 -0.63 118.94 115.96 1jjx s TRP 97 Ca -0.03 1.99 0.00 0.00 2.66 0.00 0.00 56.10 60.72 1jjx s TRP 97 Cb -0.14 0.59 0.00 0.00 -3.10 0.00 0.00 33.47 30.82 1jjx s TRP 97 CO 0.04 -0.54 0.00 -0.25 -2.66 0.00 0.00 176.95 173.53 1jjx n ASP 98 N 4.87 -5.26 0.00 -2.66 9.92 -1.26 -0.83 116.55 121.32 1jjx n ASP 98 Ca -0.16 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1jjx n ASP 98 Cb 0.53 -4.54 0.00 0.00 -0.64 0.00 0.00 41.12 36.47 1jjx n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjx n GLY 99 N -0.65 3.04 3.80 0.44 0.00 -1.26 -5.08 105.19 105.48 1jjx n GLY 99 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1jjx n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjx s LYS 100 N -0.29 4.41 -0.02 1.61 1.02 -0.01 -5.10 119.74 121.35 1jjx s LYS 100 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.09 1jjx s LYS 100 Cb 0.00 -2.81 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1jjx s LYS 100 CO 0.00 0.32 0.02 -2.00 -0.92 0.00 0.00 175.35 172.76 1jjx s GLU 101 N -2.07 0.13 0.19 1.68 2.12 -1.26 -1.45 118.70 118.04 1jjx s GLU 101 Ca 0.47 0.13 0.10 0.00 0.36 0.00 0.00 54.97 56.04 1jjx s GLU 101 Cb -0.17 -0.36 -0.04 0.00 0.26 0.00 0.00 34.13 33.81 1jjx s GLU 101 CO 0.22 -0.15 -0.18 -0.08 -0.54 0.00 0.00 175.26 174.53 1jjx s THR 102 N 1.04 2.68 0.00 -1.70 -1.32 -0.96 -4.41 115.64 110.97 1jjx s THR 102 Ca -0.09 -1.91 0.04 0.00 -1.21 0.00 0.00 61.69 58.51 1jjx s THR 102 Cb -0.13 -2.31 -0.01 0.00 -1.51 0.00 0.00 72.50 68.54 1jjx s THR 102 CO -0.02 -0.13 -0.13 0.54 -2.21 0.00 0.00 174.62 172.66 1jjx s ASN 103 N -2.78 1.54 -0.39 8.08 2.20 -0.74 -0.94 114.94 121.90 1jjx s ASN 103 Ca 0.23 -0.28 -0.05 0.00 -0.94 0.00 0.00 52.86 51.82 1jjx s ASN 103 Cb -0.08 -0.15 0.09 0.00 -2.00 0.00 0.00 41.25 39.10 1jjx s ASN 103 CO 0.12 0.13 0.19 -0.36 -2.94 0.00 0.00 177.10 174.24 1jjx s PHE 104 N -0.42 3.44 -0.63 1.54 0.40 -0.83 -1.35 117.98 120.13 1jjx s PHE 104 Ca 0.04 -2.00 -0.24 0.00 -0.60 0.00 0.00 56.93 54.13 1jjx s PHE 104 Cb -0.06 -2.94 0.05 0.00 0.51 0.00 0.00 43.02 40.59 1jjx s PHE 104 CO -0.00 -0.90 1.01 0.08 0.70 0.00 0.00 175.22 176.11 1jjx s VAL 105 N 1.26 4.24 -0.39 -0.44 1.01 0.10 -2.08 120.40 124.10 1jjx s VAL 105 Ca 0.04 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1jjx s VAL 105 Cb -0.22 -4.67 0.04 0.00 0.00 0.00 0.00 36.38 31.53 1jjx s VAL 105 CO -0.01 -1.38 0.22 -0.13 0.00 0.00 0.00 175.10 173.80 1jjx s ARG 106 N 4.31 2.77 -0.02 2.72 0.52 -0.29 -0.95 118.95 128.02 1jjx s ARG 106 Ca 0.28 -1.19 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1jjx s ARG 106 Cb -0.13 -3.75 0.01 0.00 0.52 0.00 0.00 34.95 31.59 1jjx s ARG 106 CO 0.15 -0.77 -0.05 -1.83 0.02 0.00 0.00 175.30 172.82 1jjx s GLU 107 N 1.52 0.51 -0.38 3.54 -1.05 -0.80 -0.41 118.70 121.64 1jjx s GLU 107 Ca 0.02 -0.14 -0.27 0.00 -0.15 0.00 0.00 54.97 54.43 1jjx s GLU 107 Cb -0.20 -0.52 0.02 0.00 -0.44 0.00 0.00 34.13 32.98 1jjx s GLU 107 CO 0.05 0.04 0.99 0.42 0.95 0.00 0.00 175.26 177.71 1jjx s ILE 108 N 0.25 4.51 -0.27 1.83 -1.09 -1.24 -0.73 121.20 124.46 1jjx s ILE 108 Ca -0.03 1.28 0.03 0.00 -2.23 0.00 0.00 60.65 59.71 1jjx s ILE 108 Cb -0.06 -4.40 0.06 0.00 -1.58 0.00 0.00 42.46 36.49 1jjx s ILE 108 CO -0.00 -0.61 -0.08 -0.75 -1.23 0.00 0.00 174.94 172.26 1jjx s LYS 109 N 3.67 2.07 -1.27 2.79 2.20 0.08 -4.85 119.74 124.43 1jjx s LYS 109 Ca 0.41 -1.36 -0.09 0.00 -0.36 0.00 0.00 55.97 54.57 1jjx s LYS 109 Cb -0.11 -2.88 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1jjx s LYS 109 CO 0.20 -0.62 0.64 -3.47 -0.36 0.00 0.00 175.35 171.75 1jjx n ASP 110 N 4.44 -2.68 -1.24 1.43 2.03 -1.26 -2.05 116.55 117.23 1jjx n ASP 110 Ca -0.12 -0.97 -0.16 0.00 0.52 0.00 0.00 54.79 54.06 1jjx n ASP 110 Cb 0.42 -3.43 -0.07 0.00 -0.72 0.00 0.00 41.12 37.32 1jjx n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjx n GLY 111 N -1.76 1.62 3.01 0.27 0.00 -1.26 -5.03 105.19 102.03 1jjx n GLY 111 Ca -0.21 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1jjx n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjx s LYS 112 N -3.35 1.62 -0.60 1.61 -0.14 -0.87 -3.78 119.74 114.22 1jjx s LYS 112 Ca 0.00 -0.38 -0.26 0.00 -1.36 0.00 0.00 55.97 53.97 1jjx s LYS 112 Cb 0.00 -1.36 0.04 0.00 -1.68 0.00 0.00 37.83 34.83 1jjx s LYS 112 CO 0.00 0.01 1.11 1.41 -0.76 0.00 0.00 175.35 177.12 1jjx s MET 113 N 0.71 3.38 -0.58 1.68 -2.45 0.74 -0.74 119.30 122.05 1jjx s MET 113 Ca -0.14 -0.06 -0.24 0.00 -1.25 0.00 0.00 55.69 54.00 1jjx s MET 113 Cb -0.16 -4.06 0.05 0.00 1.25 0.00 0.00 34.83 31.91 1jjx s MET 113 CO 0.03 -1.69 0.94 0.08 1.05 0.00 0.00 175.02 175.43 1jjx s VAL 114 N 4.67 4.38 -0.53 10.11 1.01 0.09 -1.14 120.40 138.99 1jjx s VAL 114 Ca 0.36 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 1jjx s VAL 114 Cb -0.10 -4.57 0.07 0.00 0.00 0.00 0.00 36.38 31.78 1jjx s VAL 114 CO 0.21 -1.19 0.68 -0.32 0.00 0.00 0.00 175.10 174.47 1jjx s MET 115 N 3.96 3.12 -0.43 2.72 0.00 -0.67 -1.90 119.30 126.11 1jjx s MET 115 Ca 0.28 -0.92 -0.19 0.00 0.00 0.00 0.00 55.69 54.85 1jjx s MET 115 Cb -0.14 -4.13 0.02 0.00 0.00 0.00 0.00 34.83 30.58 1jjx s MET 115 CO 0.17 -1.33 0.56 0.99 0.00 0.00 0.00 175.02 175.42 1jjx s THR 116 N 2.80 4.93 -0.49 10.11 2.01 -0.13 -1.09 115.64 133.78 1jjx s THR 116 Ca 0.16 -0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 1jjx s THR 116 Cb -0.20 -4.14 0.06 0.00 0.01 0.00 0.00 72.50 68.24 1jjx s THR 116 CO 0.11 -0.52 0.56 -0.76 -0.69 0.00 0.00 174.62 173.32 1jjx s LEU 117 N 2.55 5.13 -0.25 4.42 1.02 0.72 -0.72 118.68 131.55 1jjx s LEU 117 Ca 0.19 -1.01 -0.02 0.00 0.02 0.00 0.00 54.13 53.31 1jjx s LEU 117 Cb -0.15 -2.38 0.03 0.00 0.02 0.00 0.00 46.19 43.71 1jjx s LEU 117 CO 0.17 -0.82 -0.06 0.28 0.02 0.00 0.00 176.35 175.94 1jjx s THR 118 N 2.35 2.87 -1.12 5.49 -1.32 -0.45 -1.03 115.64 122.42 1jjx s THR 118 Ca 0.12 -1.05 -0.07 0.00 -1.21 0.00 0.00 61.69 59.48 1jjx s THR 118 Cb -0.20 -2.47 0.28 0.00 -1.51 0.00 0.00 72.50 68.60 1jjx s THR 118 CO 0.11 0.18 1.37 0.33 -2.21 0.00 0.00 174.62 174.39 1jjx n PHE 119 N 4.66 3.72 0.00 9.09 7.35 -0.59 -1.80 117.46 139.90 1jjx n PHE 119 Ca -0.16 -3.19 0.00 0.00 -0.76 0.00 0.00 57.45 53.34 1jjx n PHE 119 Cb 0.47 -1.56 0.00 0.00 0.35 0.00 0.00 39.48 38.74 1jjx n PHE 119 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jjx n GLY 120 N 2.17 0.84 0.11 7.13 0.00 -1.26 -2.77 105.19 111.41 1jjx n GLY 120 Ca 0.27 0.46 -0.15 0.00 0.00 0.00 0.00 46.02 46.60 1jjx n GLY 120 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1jjx h ASP 121 N 0.00 0.30 -3.43 1.61 3.58 -1.99 -3.47 116.42 113.02 1jjx h ASP 121 Ca 0.00 -0.47 -0.60 0.00 0.42 0.00 0.00 57.03 56.38 1jjx h ASP 121 Cb 0.00 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 40.85 1jjx h ASP 121 CO 0.00 1.40 0.35 -0.69 -2.88 0.00 0.00 179.24 177.42 1jjx s VAL 122 N -2.61 4.84 -0.14 2.25 1.01 -1.11 -5.05 120.40 119.59 1jjx s VAL 122 Ca -0.09 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1jjx s VAL 122 Cb 0.07 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1jjx s VAL 122 CO 0.83 -0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.91 1jjx s VAL 123 N 2.84 2.68 0.27 2.92 1.01 -1.26 -1.54 120.40 127.33 1jjx s VAL 123 Ca 0.31 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1jjx s VAL 123 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1jjx s VAL 123 CO 0.11 0.52 0.01 0.00 0.00 0.00 0.00 175.10 175.74 1jjx s ALA 124 N 0.65 3.19 -0.20 5.51 0.00 -0.20 -4.82 121.76 125.89 1jjx s ALA 124 Ca -0.08 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 1jjx s ALA 124 Cb -0.16 -0.79 0.06 0.00 0.00 0.00 0.00 23.12 22.23 1jjx s ALA 124 CO 0.02 0.25 -0.00 0.08 0.00 0.00 0.00 175.76 176.12 1jjx s VAL 125 N -2.32 0.89 -0.28 0.00 1.01 -0.28 -0.20 120.40 119.22 1jjx s VAL 125 Ca 0.32 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1jjx s VAL 125 Cb -0.06 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1jjx s VAL 125 CO 0.20 -0.14 0.43 -0.13 0.00 0.00 0.00 175.10 175.47 1jjx s ARG 126 N 1.69 3.96 -0.52 2.72 0.52 -0.25 -0.72 118.95 126.36 1jjx s ARG 126 Ca -0.02 0.08 -0.20 0.00 -0.52 0.00 0.00 55.73 55.06 1jjx s ARG 126 Cb -0.17 -3.68 0.06 0.00 0.52 0.00 0.00 34.95 31.67 1jjx s ARG 126 CO -0.07 -0.35 0.70 -1.01 0.02 0.00 0.00 175.30 174.58 1jjx s HIS 127 N 2.17 2.99 -0.22 -0.53 3.76 -0.15 -1.67 115.29 121.64 1jjx s HIS 127 Ca 0.17 -0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 54.56 1jjx s HIS 127 Cb -0.16 -3.68 -0.03 0.00 1.11 0.00 0.00 32.58 29.83 1jjx s HIS 127 CO 0.10 -1.12 0.05 0.71 -0.85 0.00 0.00 174.74 173.64 1jjx s TYR 128 N 2.92 3.10 0.27 1.40 2.02 -0.29 -0.48 117.35 126.29 1jjx s TYR 128 Ca 0.18 -0.34 -0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1jjx s TYR 128 Cb -0.18 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1jjx s TYR 128 CO 0.13 -0.24 0.47 -1.83 -1.57 0.00 0.00 175.55 172.51 1jjx s GLU 129 N 1.24 3.51 0.24 -0.62 4.04 -0.35 -0.18 118.70 126.58 1jjx s GLU 129 Ca 0.04 -0.34 -0.28 0.00 0.04 0.00 0.00 54.97 54.43 1jjx s GLU 129 Cb -0.15 -2.75 -0.09 0.00 0.02 0.00 0.00 34.13 31.16 1jjx s GLU 129 CO 0.03 0.28 0.90 0.21 -1.84 0.00 0.00 175.26 174.84 1jjx s LYS 130 N -3.81 4.72 0.00 -4.83 2.20 -1.25 -1.24 119.74 115.53 1jjx s LYS 130 Ca 0.39 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.37 1jjx s LYS 130 Cb -0.10 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1jjx s LYS 130 CO 0.32 0.47 0.00 0.00 -0.36 0.00 0.00 175.35 175.78