#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvi h GLU 5 N 0.00 0.06 -0.70 5.55 4.22 -1.99 -2.04 114.58 119.68 1jvi h GLU 5 Ca 0.00 -0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.58 1jvi h GLU 5 Cb 0.00 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.14 1jvi h GLU 5 CO 0.00 0.04 0.19 1.03 -2.18 0.00 0.00 179.01 178.09 1jvi h SER 6 N 0.07 0.07 0.18 1.04 0.87 -1.97 0.24 113.55 114.05 1jvi h SER 6 Ca 0.35 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 1jvi h SER 6 Cb 0.57 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1jvi h SER 6 CO -0.63 0.01 -0.05 -0.26 -0.53 0.00 0.00 176.83 175.38 1jvi h PHE 7 N 0.31 0.00 -0.00 2.24 0.04 -1.87 -2.47 116.94 115.18 1jvi h PHE 7 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 1jvi h PHE 7 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1jvi h PHE 7 CO -0.23 0.05 -0.21 0.39 -0.60 0.00 0.00 178.31 177.70 1jvi n GLU 8 N -3.63 0.27 -2.83 1.51 -0.58 0.06 -4.84 120.64 110.60 1jvi n GLU 8 Ca -0.02 -0.10 -0.41 0.00 -0.42 0.00 0.00 57.16 56.20 1jvi n GLU 8 Cb 0.15 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.48 1jvi n GLU 8 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1jvi s LEU 9 N -2.80 4.36 -0.66 -4.62 2.96 -0.93 -4.98 118.68 112.00 1jvi s LEU 9 Ca 0.18 1.51 -0.27 0.00 -0.22 0.00 0.00 54.13 55.33 1jvi s LEU 9 Cb 0.19 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.49 1jvi s LEU 9 CO 0.57 -0.19 1.45 -0.62 -1.32 0.00 0.00 176.35 176.24 1jvi s ASP 10 N 0.83 5.94 0.53 3.68 -1.08 -1.26 -4.85 116.67 120.46 1jvi s ASP 10 Ca 0.47 -0.07 0.34 0.00 -0.52 0.00 0.00 52.55 52.76 1jvi s ASP 10 Cb -0.20 -2.55 1.45 0.00 -1.46 0.00 0.00 42.92 40.16 1jvi s ASP 10 CO 0.25 -1.94 1.99 0.45 0.52 0.00 0.00 175.17 176.45 1jvi h HIS 11 N 11.49 0.00 0.00 -5.34 3.86 -1.94 -2.35 115.15 120.87 1jvi h HIS 11 Ca -0.27 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.80 1jvi h HIS 11 Cb 1.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 1jvi h HIS 11 CO 1.08 0.00 -0.64 -0.91 0.86 0.00 0.00 177.93 178.32 1jvi h ASN 12 N 0.00 0.00 1.00 2.45 2.35 -1.91 -3.34 115.58 116.13 1jvi h ASN 12 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1jvi h ASN 12 Cb 0.43 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1jvi h ASN 12 CO 0.00 0.64 -1.06 0.00 -1.65 0.00 0.00 177.43 175.36 1jvi h ALA 13 N 1.36 0.65 -2.38 -0.83 0.00 -1.83 -3.48 119.26 112.75 1jvi h ALA 13 Ca -0.01 -0.67 -0.52 0.00 0.00 0.00 0.00 54.91 53.72 1jvi h ALA 13 Cb 1.33 0.13 0.13 0.00 0.00 0.00 0.00 17.79 19.38 1jvi h ALA 13 CO 0.08 0.78 0.33 0.14 0.00 0.00 0.00 179.25 180.58 1jvi s VAL 14 N -2.95 3.07 -0.43 0.00 -7.23 -1.16 -4.70 120.40 107.00 1jvi s VAL 14 Ca -0.00 0.40 0.02 0.00 -1.81 0.00 0.00 61.98 60.59 1jvi s VAL 14 Cb 0.08 -2.84 0.13 0.00 0.56 0.00 0.00 36.38 34.31 1jvi s VAL 14 CO 0.79 -0.40 0.21 -0.69 -0.31 0.00 0.00 175.10 174.69 1jvi s VAL 15 N -2.64 1.53 0.65 1.32 1.01 -0.22 -4.93 120.40 117.12 1jvi s VAL 15 Ca 0.64 -2.48 -0.14 0.00 0.00 0.00 0.00 61.98 60.01 1jvi s VAL 15 Cb -0.20 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1jvi s VAL 15 CO 0.51 -0.84 1.07 0.00 0.00 0.00 0.00 175.10 175.85 1jvi s ALA 16 N 0.48 2.61 0.57 5.51 0.00 -1.26 -4.44 121.76 125.22 1jvi s ALA 16 Ca 0.16 0.33 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 1jvi s ALA 16 Cb -0.23 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1jvi s ALA 16 CO -0.03 -1.12 0.94 -1.25 0.00 0.00 0.00 175.76 174.29 1jvi s PRO 17 N -4.43 3.59 0.16 0.00 0.04 -1.26 -4.82 135.00 128.28 1jvi s PRO 17 Ca 0.62 0.56 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 1jvi s PRO 17 Cb -0.16 -2.19 0.06 0.00 0.04 0.00 0.00 34.50 32.25 1jvi s PRO 17 CO 0.45 -0.43 0.83 1.52 0.04 0.00 0.00 177.00 179.41 1jvi s TYR 18 N -3.00 -0.25 -0.15 0.56 -0.85 -0.59 -4.46 117.35 108.61 1jvi s TYR 18 Ca 0.52 -0.05 0.01 0.00 -0.52 0.00 0.00 57.07 57.03 1jvi s TYR 18 Cb -0.11 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.88 1jvi s TYR 18 CO 0.50 -0.88 -0.18 0.08 -1.52 0.00 0.00 175.55 173.54 1jvi s VAL 19 N -3.49 1.85 -0.08 -3.49 1.01 -0.18 -0.86 120.40 115.16 1jvi s VAL 19 Ca 0.09 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1jvi s VAL 19 Cb -0.02 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1jvi s VAL 19 CO -0.01 0.51 -0.21 -0.60 0.00 0.00 0.00 175.10 174.79 1jvi s ARG 20 N 1.20 2.61 -0.74 2.72 3.52 -0.37 -4.72 118.95 123.17 1jvi s ARG 20 Ca 0.01 -0.76 -0.25 0.00 -0.13 0.00 0.00 55.73 54.59 1jvi s ARG 20 Cb -0.14 -2.04 0.05 0.00 -1.56 0.00 0.00 34.95 31.26 1jvi s ARG 20 CO -0.08 0.18 1.19 -1.58 -0.81 0.00 0.00 175.30 174.20 1jvi s HIS 21 N 0.32 2.44 -0.84 5.12 5.65 -1.26 -0.14 115.29 126.57 1jvi s HIS 21 Ca -0.15 -0.29 0.22 0.00 0.25 0.00 0.00 55.06 55.09 1jvi s HIS 21 Cb -0.16 -4.53 -0.14 0.00 -1.18 0.00 0.00 32.58 26.57 1jvi s HIS 21 CO 0.07 -1.93 0.92 0.00 -0.65 0.00 0.00 174.74 173.15 1jvi s GLY 23 N -3.25 -0.53 -0.02 0.00 0.00 -0.86 -4.96 107.32 97.68 1jvi s GLY 23 Ca 0.06 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.17 1jvi s GLY 23 CO 0.85 1.04 -0.07 0.54 0.00 0.00 0.00 173.10 175.47 1jvi s VAL 24 N -0.86 0.60 -0.02 1.40 0.11 -1.26 0.29 120.40 120.65 1jvi s VAL 24 Ca -0.09 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.73 1jvi s VAL 24 Cb -0.01 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1jvi s VAL 24 CO 0.08 0.20 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.98 1jvi s HIS 25 N 0.32 0.71 0.17 1.54 3.76 0.81 -4.96 115.29 117.64 1jvi s HIS 25 Ca -0.04 -0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.41 1jvi s HIS 25 Cb -0.09 -0.52 -0.07 0.00 1.11 0.00 0.00 32.58 33.01 1jvi s HIS 25 CO 0.00 -0.08 1.08 0.21 -0.85 0.00 0.00 174.74 175.10 1jvi s LYS 26 N 0.22 4.62 -0.04 1.40 2.47 -1.26 -0.45 119.74 126.69 1jvi s LYS 26 Ca -0.03 1.68 0.00 0.00 -1.56 0.00 0.00 55.97 56.06 1jvi s LYS 26 Cb -0.07 -3.29 0.03 0.00 -1.46 0.00 0.00 37.83 33.03 1jvi s LYS 26 CO 0.00 0.11 -0.01 0.08 0.16 0.00 0.00 175.35 175.69 1jvi s VAL 27 N -0.25 0.28 0.00 4.02 1.01 -0.29 -4.89 120.40 120.29 1jvi s VAL 27 Ca 0.49 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1jvi s VAL 27 Cb -0.28 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1jvi s VAL 27 CO 0.34 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1jvi n GLY 28 N 4.36 0.34 0.09 4.51 0.00 -1.26 -0.81 105.19 112.42 1jvi n GLY 28 Ca -0.21 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1jvi n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jvi n THR 29 N 0.00 1.07 -1.12 2.61 -2.24 -1.26 -4.57 114.28 108.77 1jvi n THR 29 Ca 0.00 -0.69 0.01 0.00 -2.27 0.00 0.00 64.05 61.10 1jvi n THR 29 Cb 0.00 -0.61 0.01 0.00 -2.10 0.00 0.00 70.33 67.63 1jvi n THR 29 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jvi n ASP 30 N -2.80 0.51 -4.95 3.42 5.75 -1.25 -5.11 116.55 112.11 1jvi n ASP 30 Ca -0.12 -1.60 -0.20 0.00 -0.01 0.00 0.00 54.79 52.87 1jvi n ASP 30 Cb 0.84 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.82 1jvi n ASP 30 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jvi s GLY 31 N -0.66 1.51 0.04 6.12 0.00 0.01 -4.99 107.32 109.34 1jvi s GLY 31 Ca 0.03 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.31 1jvi s GLY 31 CO 0.00 -1.38 -0.01 -1.34 0.00 0.00 0.00 173.10 170.38 1jvi s VAL 32 N -2.14 0.17 -0.09 1.40 -7.23 -1.26 -1.14 120.40 110.11 1jvi s VAL 32 Ca 0.41 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1jvi s VAL 32 Cb -0.09 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.90 1jvi s VAL 32 CO 0.29 -0.76 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.50 1jvi s VAL 33 N -2.84 1.33 -0.01 1.32 1.01 0.41 -1.39 120.40 120.23 1jvi s VAL 33 Ca -0.03 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1jvi s VAL 33 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1jvi s VAL 33 CO -0.06 0.40 -0.04 0.20 0.00 0.00 0.00 175.10 175.60 1jvi s ASN 34 N 0.89 4.82 -0.03 3.32 0.01 -0.32 -0.14 114.94 123.50 1jvi s ASN 34 Ca -0.09 -0.07 0.06 0.00 -0.71 0.00 0.00 52.86 52.05 1jvi s ASN 34 Cb -0.15 -1.19 -0.01 0.00 0.41 0.00 0.00 41.25 40.30 1jvi s ASN 34 CO 0.01 0.30 -0.23 -0.75 -1.51 0.00 0.00 177.10 174.92 1jvi s LYS 35 N -1.36 2.00 -0.00 -0.60 2.20 0.14 -0.88 119.74 121.24 1jvi s LYS 35 Ca 0.17 -0.81 0.08 0.00 -0.36 0.00 0.00 55.97 55.05 1jvi s LYS 35 Cb -0.11 -1.84 -0.02 0.00 -1.51 0.00 0.00 37.83 34.34 1jvi s LYS 35 CO 0.07 0.44 -0.24 -0.06 -0.36 0.00 0.00 175.35 175.20 1jvi s PHE 36 N -0.38 2.13 -0.47 4.03 0.40 -0.03 -1.37 117.98 122.29 1jvi s PHE 36 Ca 0.04 -0.40 -0.18 0.00 -0.60 0.00 0.00 56.93 55.79 1jvi s PHE 36 Cb -0.10 -1.35 0.04 0.00 0.51 0.00 0.00 43.02 42.12 1jvi s PHE 36 CO 0.01 0.00 0.55 0.34 0.70 0.00 0.00 175.22 176.82 1jvi s ASP 37 N -0.73 6.22 -0.70 1.36 -1.08 0.80 -1.68 116.67 120.86 1jvi s ASP 37 Ca 0.09 -0.78 -0.15 0.00 -0.52 0.00 0.00 52.55 51.19 1jvi s ASP 37 Cb -0.09 -2.26 0.17 0.00 -1.46 0.00 0.00 42.92 39.27 1jvi s ASP 37 CO -0.00 -0.76 0.68 -0.63 0.52 0.00 0.00 175.17 174.98 1jvi s ILE 38 N 2.42 5.35 -0.34 4.11 1.01 0.66 -1.24 121.20 133.17 1jvi s ILE 38 Ca 0.14 -1.92 -0.19 0.00 0.00 0.00 0.00 60.65 58.68 1jvi s ILE 38 Cb -0.18 -4.44 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 1jvi s ILE 38 CO 0.13 -1.00 0.55 -0.60 0.00 0.00 0.00 174.94 174.02 1jvi s ARG 39 N 1.06 3.71 -0.20 2.79 6.06 -0.04 -1.41 118.95 130.91 1jvi s ARG 39 Ca 0.12 -0.03 -0.17 0.00 -2.50 0.00 0.00 55.73 53.16 1jvi s ARG 39 Cb -0.19 -3.78 -0.20 0.00 0.06 0.00 0.00 34.95 30.84 1jvi s ARG 39 CO -0.03 -0.62 0.19 1.19 -2.50 0.00 0.00 175.30 173.52 1jvi n PHE 40 N 5.80 0.97 -4.27 5.12 3.01 0.05 -1.54 117.46 126.59 1jvi n PHE 40 Ca -0.04 0.35 -0.31 0.00 1.01 0.00 0.00 57.45 58.46 1jvi n PHE 40 Cb 0.49 -1.11 -0.09 0.00 -0.01 0.00 0.00 39.48 38.76 1jvi n PHE 40 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jvi s GLN 42 N -1.86 4.17 0.20 0.00 2.00 -1.26 -4.83 119.66 118.08 1jvi s GLN 42 Ca 0.21 2.46 -0.32 0.00 -2.00 0.00 0.00 55.36 55.71 1jvi s GLN 42 Cb -0.11 -3.57 -0.14 0.00 0.80 0.00 0.00 33.01 29.99 1jvi s GLN 42 CO 0.13 -0.78 1.43 -2.30 -0.50 0.00 0.00 175.29 173.27 1jvi n PRO 43 N 5.55 1.95 -2.27 1.67 -0.02 -1.26 -2.29 135.00 138.33 1jvi n PRO 43 Ca 0.17 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 62.17 1jvi n PRO 43 Cb 0.39 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1jvi n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jvi n ASN 44 N 2.51 -5.06 0.00 2.55 3.02 -1.26 -4.74 115.26 112.27 1jvi n ASN 44 Ca 0.14 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1jvi n ASN 44 Cb 0.30 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 1jvi n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jvi n LYS 45 N -2.81 0.00 -4.07 3.52 4.76 -0.97 -5.11 118.16 113.48 1jvi n LYS 45 Ca -0.20 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.16 1jvi n LYS 45 Cb 0.65 -0.44 -0.10 0.00 -1.84 0.00 0.00 35.03 33.29 1jvi n LYS 45 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1jvi s GLN 46 N -1.65 0.57 0.08 1.97 1.11 -1.10 -5.02 119.66 115.62 1jvi s GLN 46 Ca 0.00 -1.10 -0.16 0.00 0.01 0.00 0.00 55.36 54.11 1jvi s GLN 46 Cb 0.00 0.14 0.03 0.00 -1.01 0.00 0.00 33.01 32.18 1jvi s GLN 46 CO 0.00 -0.09 0.38 0.00 0.01 0.00 0.00 175.29 175.60 1jvi s ALA 47 N -3.34 -0.90 0.32 6.09 0.00 -1.26 -4.32 121.76 118.34 1jvi s ALA 47 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1jvi s ALA 47 Cb 0.04 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1jvi s ALA 47 CO -0.08 -0.53 0.56 -1.64 0.00 0.00 0.00 175.76 174.07 1jvi s MET 48 N -3.12 3.58 0.37 0.00 -1.94 -0.17 -5.04 119.30 112.98 1jvi s MET 48 Ca -0.01 -0.09 -0.12 0.00 -1.71 0.00 0.00 55.69 53.76 1jvi s MET 48 Cb 0.01 -2.64 -0.07 0.00 2.01 0.00 0.00 34.83 34.14 1jvi s MET 48 CO -0.07 0.17 0.75 0.15 -0.01 0.00 0.00 175.02 176.01 1jvi s LYS 49 N -3.85 3.85 0.17 2.03 1.02 -1.26 -4.87 119.74 116.83 1jvi s LYS 49 Ca 0.43 0.52 -0.16 0.00 0.02 0.00 0.00 55.97 56.78 1jvi s LYS 49 Cb -0.10 -2.41 0.12 0.00 -0.52 0.00 0.00 37.83 34.92 1jvi s LYS 49 CO 0.33 0.04 1.66 -1.35 -0.92 0.00 0.00 175.35 175.11 1jvi h PRO 50 N 1.61 0.01 -0.64 -1.68 0.11 -1.98 0.85 132.00 130.27 1jvi h PRO 50 Ca -0.47 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1jvi h PRO 50 Cb 1.18 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1jvi h PRO 50 CO 0.64 0.01 0.42 0.38 -0.21 0.00 0.00 178.00 179.24 1jvi h ASP 51 N 0.01 0.71 0.28 -2.05 2.03 -1.90 0.28 116.42 115.78 1jvi h ASP 51 Ca 0.21 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.49 1jvi h ASP 51 Cb 0.32 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1jvi h ASP 51 CO -0.45 0.51 -0.14 0.74 -1.03 0.00 0.00 179.24 178.88 1jvi h THR 52 N 0.85 0.72 -0.73 1.15 2.02 -1.67 -1.10 112.91 114.15 1jvi h THR 52 Ca 0.24 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.54 1jvi h THR 52 Cb -0.06 0.73 -0.09 0.00 -1.74 0.00 0.00 68.15 66.99 1jvi h THR 52 CO -0.07 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.52 1jvi h ILE 53 N -0.39 0.69 0.03 3.11 2.04 -0.38 -0.55 117.51 122.06 1jvi h ILE 53 Ca -0.04 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1jvi h ILE 53 Cb 0.30 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1jvi h ILE 53 CO 0.06 0.08 -0.02 -0.74 0.00 0.00 0.00 178.15 177.54 1jvi h HIS 54 N 0.45 -0.04 -0.46 1.37 2.76 -0.16 -0.79 115.15 118.27 1jvi h HIS 54 Ca 0.39 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.49 1jvi h HIS 54 Cb 0.57 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1jvi h HIS 54 CO -0.16 0.07 0.02 1.15 -1.30 0.00 0.00 177.93 177.71 1jvi h THR 55 N -0.14 1.26 -0.77 6.26 2.02 -0.70 -1.95 112.91 118.89 1jvi h THR 55 Ca -0.00 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1jvi h THR 55 Cb 0.13 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1jvi h THR 55 CO 0.01 0.35 0.39 0.25 0.37 0.00 0.00 175.52 176.89 1jvi h LEU 56 N 0.66 0.97 -0.31 2.58 5.85 -1.08 0.41 115.31 124.38 1jvi h LEU 56 Ca 0.13 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1jvi h LEU 56 Cb 0.47 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1jvi h LEU 56 CO 0.02 0.81 0.01 -0.08 -0.34 0.00 0.00 178.44 178.86 1jvi h GLU 57 N 1.08 0.10 -0.17 1.25 4.81 -0.71 0.14 114.58 121.08 1jvi h GLU 57 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1jvi h GLU 57 Cb 0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1jvi h GLU 57 CO -0.04 0.06 0.11 0.45 -0.73 0.00 0.00 179.01 178.87 1jvi h HIS 58 N 0.10 0.22 -0.39 0.92 3.86 -0.45 -1.63 115.15 117.78 1jvi h HIS 58 Ca 0.15 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1jvi h HIS 58 Cb 0.20 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1jvi h HIS 58 CO -0.22 0.15 0.23 -0.07 0.86 0.00 0.00 177.93 178.88 1jvi h LEU 59 N 0.22 0.48 -0.27 2.43 3.38 -0.62 -1.32 115.31 119.61 1jvi h LEU 59 Ca 0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jvi h LEU 59 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jvi h LEU 59 CO -0.01 0.40 0.07 -0.07 0.09 0.00 0.00 178.44 178.91 1jvi h LEU 60 N 0.51 0.40 -0.54 1.67 3.38 -0.63 -0.76 115.31 119.34 1jvi h LEU 60 Ca 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1jvi h LEU 60 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1jvi h LEU 60 CO -0.03 0.52 0.26 0.00 0.09 0.00 0.00 178.44 179.28 1jvi h ALA 61 N 0.90 0.70 -0.62 1.53 0.00 -1.21 0.88 119.26 121.44 1jvi h ALA 61 Ca 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1jvi h ALA 61 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1jvi h ALA 61 CO -0.00 0.27 0.08 0.35 0.00 0.00 0.00 179.25 179.95 1jvi h PHE 62 N 0.73 1.11 0.00 0.00 3.57 -1.19 -3.35 116.94 117.81 1jvi h PHE 62 Ca 0.19 -0.16 -0.34 0.00 3.53 0.00 0.00 57.97 61.18 1jvi h PHE 62 Cb 0.13 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 1jvi h PHE 62 CO -0.00 0.95 -2.14 0.25 -2.23 0.00 0.00 178.31 175.14 1jvi n THR 63 N -4.26 1.48 0.13 4.41 -2.24 -0.30 -4.39 114.28 109.12 1jvi n THR 63 Ca 0.03 -0.83 0.05 0.00 -2.27 0.00 0.00 64.05 61.04 1jvi n THR 63 Cb 0.29 -0.70 0.50 0.00 -2.10 0.00 0.00 70.33 68.33 1jvi n THR 63 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1jvi h ILE 64 N 0.00 1.08 -0.77 2.28 2.10 -0.97 -2.39 117.51 118.84 1jvi h ILE 64 Ca -0.45 -0.26 -0.02 0.00 1.08 0.00 0.00 64.86 65.21 1jvi h ILE 64 Cb 2.16 0.88 -0.04 0.00 -1.09 0.00 0.00 36.82 38.73 1jvi h ILE 64 CO 0.05 0.09 0.40 0.03 -1.08 0.00 0.00 178.15 177.64 1jvi h ARG 65 N 0.25 1.10 -0.17 2.19 2.47 -1.77 -1.32 114.38 117.13 1jvi h ARG 65 Ca 0.06 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1jvi h ARG 65 Cb 0.07 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 1jvi h ARG 65 CO -0.01 0.83 0.11 1.03 0.56 0.00 0.00 179.97 182.49 1jvi h SER 66 N 1.08 0.19 1.24 7.04 0.87 -1.66 -3.01 113.55 119.30 1jvi h SER 66 Ca 0.27 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1jvi h SER 66 Cb 0.08 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1jvi h SER 66 CO -0.04 0.15 -0.33 0.45 -0.53 0.00 0.00 176.83 176.53 1jvi h HIS 67 N 0.22 0.00 -0.16 2.24 3.86 -1.50 -3.14 115.15 116.68 1jvi h HIS 67 Ca 0.06 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1jvi h HIS 67 Cb -0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1jvi h HIS 67 CO -0.06 0.33 -0.10 0.00 0.86 0.00 0.00 177.93 178.95 1jvi h ALA 68 N 1.67 1.54 -0.74 2.45 0.00 -1.11 -2.85 119.26 120.22 1jvi h ALA 68 Ca -0.00 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.93 1jvi h ALA 68 Cb 1.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1jvi h ALA 68 CO 0.04 0.33 0.53 1.05 0.00 0.00 0.00 179.25 181.20 1jvi h GLU 69 N 0.23 0.02 0.00 0.00 4.11 -1.50 0.30 114.58 117.74 1jvi h GLU 69 Ca 0.05 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1jvi h GLU 69 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1jvi h GLU 69 CO 0.02 0.02 0.00 1.57 0.07 0.00 0.00 179.01 180.68 1jvi h LYS 70 N 0.02 0.00 -5.06 1.06 2.10 -1.72 -3.40 116.57 109.58 1jvi h LYS 70 Ca 0.35 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.37 1jvi h LYS 70 Cb 1.38 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.55 1jvi h LYS 70 CO -0.01 0.00 -0.39 0.71 -2.00 0.00 0.00 179.45 177.76 1jvi s TYR 71 N -3.82 3.25 0.02 0.07 1.51 0.11 -4.98 117.35 113.52 1jvi s TYR 71 Ca -0.01 0.28 -0.07 0.00 -1.01 0.00 0.00 57.07 56.26 1jvi s TYR 71 Cb 0.10 -2.45 -0.30 0.00 -0.11 0.00 0.00 41.96 39.21 1jvi s TYR 71 CO 0.44 -0.14 0.94 -0.44 -1.11 0.00 0.00 175.55 175.24 1jvi h ASP 72 N 8.11 0.52 0.18 2.29 3.45 -1.83 -3.37 116.42 125.78 1jvi h ASP 72 Ca -0.34 -0.64 0.00 0.00 0.43 0.00 0.00 57.03 56.48 1jvi h ASP 72 Cb 1.17 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.78 1jvi h ASP 72 CO 0.61 1.52 0.00 0.00 -1.57 0.00 0.00 179.24 179.80 1jvi n HIS 73 N -3.54 0.00 -3.54 4.55 1.44 -1.26 -4.84 115.22 108.03 1jvi n HIS 73 Ca -0.15 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.42 1jvi n HIS 73 Cb 1.05 -0.16 -0.05 0.00 0.12 0.00 0.00 29.99 30.95 1jvi n HIS 73 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1jvi s PHE 74 N -2.33 -0.47 0.05 -1.40 -0.12 -1.26 -2.95 117.98 109.50 1jvi s PHE 74 Ca 0.21 0.54 0.04 0.00 -0.05 0.00 0.00 56.93 57.66 1jvi s PHE 74 Cb 0.12 0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1jvi s PHE 74 CO 0.24 -0.67 -0.11 -0.51 -0.05 0.00 0.00 175.22 174.11 1jvi s ASP 75 N -2.00 1.27 -0.05 1.98 1.01 -0.27 -4.85 116.67 113.77 1jvi s ASP 75 Ca -0.05 -0.51 -0.30 0.00 0.71 0.00 0.00 52.55 52.40 1jvi s ASP 75 Cb -0.01 -0.03 -0.03 0.00 1.01 0.00 0.00 42.92 43.86 1jvi s ASP 75 CO -0.02 -0.09 1.20 -0.63 0.21 0.00 0.00 175.17 175.84 1jvi s ILE 76 N -1.13 4.25 -0.26 0.77 -1.09 -1.26 -0.09 121.20 122.38 1jvi s ILE 76 Ca -0.04 1.57 -0.02 0.00 -2.23 0.00 0.00 60.65 59.93 1jvi s ILE 76 Cb -0.09 -4.01 -0.16 0.00 -1.58 0.00 0.00 42.46 36.62 1jvi s ILE 76 CO 0.01 0.01 -0.26 -0.38 -1.23 0.00 0.00 174.94 173.09 1jvi n ILE 77 N 4.57 1.48 -3.60 2.92 2.08 0.47 -4.89 119.36 122.38 1jvi n ILE 77 Ca 0.11 -0.52 -0.08 0.00 0.56 0.00 0.00 62.75 62.82 1jvi n ILE 77 Cb 0.46 -1.53 -0.05 0.00 -0.75 0.00 0.00 39.64 37.77 1jvi n ILE 77 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1jvi s ASP 78 N -6.74 -0.30 -0.10 4.38 2.15 -0.75 -4.98 116.67 110.33 1jvi s ASP 78 Ca -0.36 0.39 -0.02 0.00 0.43 0.00 0.00 52.55 52.99 1jvi s ASP 78 Cb 0.10 0.33 0.04 0.00 -0.30 0.00 0.00 42.92 43.10 1jvi s ASP 78 CO 0.56 -0.23 0.03 -0.51 -0.17 0.00 0.00 175.17 174.86 1jvi s ILE 79 N -0.79 0.24 0.12 4.11 2.07 -1.26 0.05 121.20 125.75 1jvi s ILE 79 Ca 0.02 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1jvi s ILE 79 Cb -0.02 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 1jvi s ILE 79 CO -0.03 0.07 -0.11 -0.44 -1.91 0.00 0.00 174.94 172.53 1jvi s SER 80 N 2.01 1.70 0.46 4.50 0.01 -0.55 -4.91 113.70 116.92 1jvi s SER 80 Ca 0.03 -0.88 -0.14 0.00 1.31 0.00 0.00 55.95 56.28 1jvi s SER 80 Cb -0.14 -0.02 -0.07 0.00 0.21 0.00 0.00 66.02 66.00 1jvi s SER 80 CO -0.06 -0.25 0.88 -2.16 0.41 0.00 0.00 173.24 172.06 1jvi s PRO 81 N -3.07 3.87 0.24 12.44 0.04 -1.26 -0.56 135.00 146.69 1jvi s PRO 81 Ca 0.10 0.72 -0.25 0.00 0.04 0.00 0.00 61.00 61.61 1jvi s PRO 81 Cb -0.02 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1jvi s PRO 81 CO 0.01 -0.15 0.84 -1.64 0.04 0.00 0.00 177.00 176.09 1jvi s MET 82 N -3.96 4.54 -0.08 4.56 -1.94 0.25 -4.82 119.30 117.85 1jvi s MET 82 Ca 0.55 1.19 -0.01 0.00 -1.71 0.00 0.00 55.69 55.70 1jvi s MET 82 Cb -0.10 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 1jvi s MET 82 CO 0.31 0.43 1.18 0.41 -0.01 0.00 0.00 175.02 177.34 1jvi n GLY 83 N 1.03 1.59 0.37 -0.03 0.00 -1.26 -4.54 105.19 102.36 1jvi n GLY 83 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1jvi n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jvi n GLN 85 N 3.38 0.00 -0.07 1.61 6.02 -1.26 -5.14 117.38 121.92 1jvi n GLN 85 Ca 0.10 -0.07 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 1jvi n GLN 85 Cb 0.14 -0.04 0.09 0.00 1.02 0.00 0.00 30.24 31.46 1jvi n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1jvi n THR 86 N 0.00 0.41 -3.48 5.09 -2.24 -1.26 -1.00 114.28 111.79 1jvi n THR 86 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1jvi n THR 86 Cb 0.51 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1jvi n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jvi n GLY 87 N 0.60 -0.74 3.18 3.38 0.00 -1.26 -0.77 105.19 109.58 1jvi n GLY 87 Ca 0.09 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 1jvi n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jvi s TYR 88 N -3.00 1.07 -0.14 1.61 1.51 -0.50 -0.58 117.35 117.33 1jvi s TYR 88 Ca 0.00 -0.67 -0.05 0.00 -1.01 0.00 0.00 57.07 55.34 1jvi s TYR 88 Cb 0.00 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1jvi s TYR 88 CO 0.00 0.00 0.03 0.71 -1.11 0.00 0.00 175.55 175.18 1jvi s TYR 89 N -2.56 3.22 -0.20 2.71 1.51 0.28 -0.24 117.35 122.06 1jvi s TYR 89 Ca 0.07 0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1jvi s TYR 89 Cb -0.02 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1jvi s TYR 89 CO -0.00 0.30 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.40 1jvi s LEU 90 N -0.25 2.43 -0.20 -1.29 2.96 -0.68 -1.48 118.68 120.18 1jvi s LEU 90 Ca 0.07 -0.81 -0.06 0.00 -0.22 0.00 0.00 54.13 53.11 1jvi s LEU 90 Cb -0.12 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1jvi s LEU 90 CO 0.02 -0.04 0.02 -0.69 -1.32 0.00 0.00 176.35 174.34 1jvi s VAL 91 N 1.25 4.23 0.15 1.68 1.01 0.11 -0.85 120.40 127.97 1jvi s VAL 91 Ca 0.02 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1jvi s VAL 91 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1jvi s VAL 91 CO -0.11 0.43 -0.14 0.68 0.00 0.00 0.00 175.10 175.96 1jvi s VAL 92 N 0.83 1.43 -0.02 2.92 -7.23 -0.06 -0.39 120.40 117.88 1jvi s VAL 92 Ca 0.02 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.11 1jvi s VAL 92 Cb -0.14 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1jvi s VAL 92 CO 0.02 -0.50 0.52 -0.55 -0.31 0.00 0.00 175.10 174.28 1jvi s SER 93 N -2.77 6.88 0.00 4.85 0.15 0.87 -1.17 113.70 122.51 1jvi s SER 93 Ca 0.14 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1jvi s SER 93 Cb -0.03 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1jvi s SER 93 CO 0.04 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1jvi n GLY 94 N 2.41 -0.28 3.73 9.45 0.00 -0.49 -1.11 105.19 118.91 1jvi n GLY 94 Ca -0.09 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 1jvi n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jvi s GLU 95 N -1.42 4.30 0.36 1.61 0.41 -1.15 -4.29 118.70 118.52 1jvi s GLU 95 Ca 0.00 0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 54.87 1jvi s GLU 95 Cb 0.00 -3.41 0.04 0.00 -1.78 0.00 0.00 34.13 28.98 1jvi s GLU 95 CO 0.00 0.21 0.72 -0.08 -0.49 0.00 0.00 175.26 175.62 1jvi s THR 96 N 0.44 0.00 0.19 3.63 -1.32 -1.26 -4.59 115.64 112.73 1jvi s THR 96 Ca 0.26 -1.11 0.06 0.00 -1.21 0.00 0.00 61.69 59.69 1jvi s THR 96 Cb -0.15 -2.67 -0.05 0.00 -1.51 0.00 0.00 72.50 68.12 1jvi s THR 96 CO 0.11 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 172.82 1jvi s THR 97 N -2.75 1.47 0.27 5.08 -4.23 -1.26 -5.03 115.64 109.19 1jvi s THR 97 Ca 0.17 -2.14 -0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1jvi s THR 97 Cb -0.04 -2.01 0.25 0.00 1.34 0.00 0.00 72.50 72.04 1jvi s THR 97 CO 0.12 -0.62 1.79 0.28 -0.54 0.00 0.00 174.62 175.65 1jvi h SER 98 N 2.62 0.68 -0.82 3.99 0.02 -1.96 0.54 113.55 118.61 1jvi h SER 98 Ca -0.38 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1jvi h SER 98 Cb 1.21 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 1jvi h SER 98 CO 0.63 0.32 0.53 0.00 -1.14 0.00 0.00 176.83 177.17 1jvi h ALA 99 N 1.54 1.08 -0.28 3.77 0.00 -1.96 -0.91 119.26 122.50 1jvi h ALA 99 Ca 0.47 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 1jvi h ALA 99 Cb 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jvi h ALA 99 CO -0.32 0.36 -0.52 1.49 0.00 0.00 0.00 179.25 180.25 1jvi h GLU 100 N 1.03 0.85 -0.75 0.00 4.81 -1.36 -3.00 114.58 116.15 1jvi h GLU 100 Ca 0.33 -0.54 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1jvi h GLU 100 Cb 0.00 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1jvi h GLU 100 CO -0.11 1.17 0.50 0.82 -0.73 0.00 0.00 179.01 180.66 1jvi h ILE 101 N 0.63 1.14 -0.82 2.32 1.08 -0.76 -0.76 117.51 120.33 1jvi h ILE 101 Ca 0.01 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1jvi h ILE 101 Cb 1.13 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 1jvi h ILE 101 CO 0.12 0.17 0.43 0.58 -0.69 0.00 0.00 178.15 178.76 1jvi h VAL 102 N 0.95 1.24 -0.34 1.67 2.07 -1.05 0.47 116.25 121.26 1jvi h VAL 102 Ca 0.29 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1jvi h VAL 102 Cb 0.01 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1jvi h VAL 102 CO -0.08 0.28 -0.00 0.44 0.02 0.00 0.00 177.57 178.22 1jvi h ASP 103 N 1.15 0.60 -0.27 0.57 3.32 -1.06 -0.25 116.42 120.48 1jvi h ASP 103 Ca 0.29 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1jvi h ASP 103 Cb 0.05 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1jvi h ASP 103 CO -0.04 0.76 0.14 0.25 -1.72 0.00 0.00 179.24 178.63 1jvi h LEU 104 N 0.41 0.23 -0.85 1.55 6.46 -0.70 -1.17 115.31 121.24 1jvi h LEU 104 Ca 0.10 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1jvi h LEU 104 Cb 0.46 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1jvi h LEU 104 CO 0.02 0.17 0.18 -0.07 -0.62 0.00 0.00 178.44 178.11 1jvi h LEU 105 N 0.30 0.97 -0.11 2.25 3.38 0.12 0.04 115.31 122.26 1jvi h LEU 105 Ca 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1jvi h LEU 105 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1jvi h LEU 105 CO -0.06 0.93 0.04 -0.08 0.09 0.00 0.00 178.44 179.36 1jvi h GLU 106 N 0.99 0.17 -0.41 1.13 4.81 -0.72 -0.25 114.58 120.29 1jvi h GLU 106 Ca 0.21 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1jvi h GLU 106 Cb 0.33 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1jvi h GLU 106 CO -0.00 0.28 0.07 -0.44 -0.73 0.00 0.00 179.01 178.19 1jvi h ASP 107 N 0.02 0.58 0.12 1.04 3.32 -1.01 -1.14 116.42 119.35 1jvi h ASP 107 Ca 0.04 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1jvi h ASP 107 Cb 0.18 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1jvi h ASP 107 CO -0.00 0.60 -0.06 0.74 -1.72 0.00 0.00 179.24 178.80 1jvi h THR 108 N 0.61 1.03 0.00 0.35 2.02 -0.76 -3.03 112.91 113.13 1jvi h THR 108 Ca 0.14 -0.65 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 1jvi h THR 108 Cb 0.27 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1jvi h THR 108 CO 0.00 0.15 -0.39 0.24 0.37 0.00 0.00 175.52 175.89 1jvi h MET 109 N -0.47 0.00 -0.16 6.66 2.86 -0.95 0.56 114.93 123.43 1jvi h MET 109 Ca -0.02 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1jvi h MET 109 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1jvi h MET 109 CO 0.03 0.39 -0.10 0.87 1.06 0.00 0.00 176.91 179.16 1jvi h LYS 110 N 0.00 0.25 0.10 1.72 1.57 -1.19 0.24 116.57 119.26 1jvi h LYS 110 Ca -0.00 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 1jvi h LYS 110 Cb 0.88 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.16 1jvi h LYS 110 CO 0.05 0.36 -0.93 1.49 -0.57 0.00 0.00 179.45 179.85 1jvi h GLU 111 N 0.24 0.22 -0.20 3.15 4.81 -1.35 -3.37 114.58 118.07 1jvi h GLU 111 Ca 0.05 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 1jvi h GLU 111 Cb 0.33 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1jvi h GLU 111 CO 0.02 1.18 0.09 0.00 -0.73 0.00 0.00 179.01 179.56 1jvi h ALA 112 N -0.01 1.77 0.00 2.92 0.00 -0.45 -1.88 119.26 121.61 1jvi h ALA 112 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jvi h ALA 112 Cb 1.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1jvi h ALA 112 CO 0.07 0.19 0.00 -0.39 0.00 0.00 0.00 179.25 179.12 1jvi h VAL 113 N 0.28 0.00 0.00 0.00 -1.51 -0.69 -2.60 116.25 111.73 1jvi h VAL 113 Ca 0.07 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1jvi h VAL 113 Cb 0.05 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 1jvi h VAL 113 CO -0.01 0.00 -0.55 -0.33 -1.23 0.00 0.00 177.57 175.46 1jvi h GLU 114 N 0.00 0.00 -6.96 5.19 4.39 -1.51 -3.47 114.58 112.21 1jvi h GLU 114 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1jvi h GLU 114 Cb 0.35 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.12 1jvi h GLU 114 CO 0.00 0.00 0.73 -0.89 -1.16 0.00 0.00 179.01 177.69 1jvi n ILE 115 N -2.56 2.48 0.08 3.13 2.08 -0.98 -4.93 119.36 118.67 1jvi n ILE 115 Ca 0.03 -0.50 0.01 0.00 0.56 0.00 0.00 62.75 62.84 1jvi n ILE 115 Cb 0.50 -1.90 -0.01 0.00 -0.75 0.00 0.00 39.64 37.48 1jvi n ILE 115 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1jvi n THR 116 N 0.04 0.00 -3.78 1.39 -2.24 -1.26 -4.93 114.28 103.50 1jvi n THR 116 Ca 0.04 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.15 1jvi n THR 116 Cb 0.40 0.93 -0.17 0.00 -2.10 0.00 0.00 70.33 69.40 1jvi n THR 116 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jvi s GLU 117 N -1.30 0.79 -0.16 -0.78 2.12 -1.26 -5.10 118.70 113.01 1jvi s GLU 117 Ca 0.01 -0.26 -0.37 0.00 0.36 0.00 0.00 54.97 54.71 1jvi s GLU 117 Cb 0.02 -1.71 -0.14 0.00 0.26 0.00 0.00 34.13 32.56 1jvi s GLU 117 CO 0.08 -0.49 1.80 -0.89 -0.54 0.00 0.00 175.26 175.23 1jvi n ILE 118 N 5.05 0.44 -1.83 -3.70 5.41 -1.26 -4.88 119.36 118.59 1jvi n ILE 118 Ca -0.09 -0.08 -0.42 0.00 1.00 0.00 0.00 62.75 63.16 1jvi n ILE 118 Cb 0.48 -1.56 -0.03 0.00 -0.71 0.00 0.00 39.64 37.82 1jvi n ILE 118 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1jvi s PRO 119 N 3.69 4.17 -1.58 0.38 0.02 -1.26 -3.15 135.00 137.27 1jvi s PRO 119 Ca 0.95 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.45 1jvi s PRO 119 Cb -0.86 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 30.45 1jvi s PRO 119 CO 0.57 -0.70 0.00 0.00 -0.33 0.00 0.00 177.00 176.54 1jvi n ALA 120 N 4.31 -0.37 -2.09 -1.55 0.00 -1.26 -4.91 120.51 114.64 1jvi n ALA 120 Ca 0.15 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 1jvi n ALA 120 Cb 0.37 -1.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 1jvi n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jvi n ALA 121 N -0.28 6.46 -2.21 0.00 0.00 -1.19 -3.83 120.51 119.47 1jvi n ALA 121 Ca -0.18 -4.15 -0.12 0.00 0.00 0.00 0.00 53.44 48.99 1jvi n ALA 121 Cb 0.60 -2.81 -0.10 0.00 0.00 0.00 0.00 19.45 17.13 1jvi n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jvi s ASN 122 N 0.44 0.48 0.55 0.00 2.20 -1.26 -4.87 114.94 112.48 1jvi s ASN 122 Ca 0.50 -1.31 0.30 0.00 -0.94 0.00 0.00 52.86 51.41 1jvi s ASN 122 Cb 0.16 0.29 1.59 0.00 -2.00 0.00 0.00 41.25 41.29 1jvi s ASN 122 CO -0.07 -0.76 2.12 -0.33 -2.94 0.00 0.00 177.10 175.12 1jvi h GLU 123 N 2.66 0.00 0.08 3.55 5.08 -1.90 -1.03 114.58 123.03 1jvi h GLU 123 Ca -0.36 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.75 1jvi h GLU 123 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1jvi h GLU 123 CO 0.57 0.08 -1.16 -0.22 -1.00 0.00 0.00 179.01 177.29 1jvi h LYS 124 N 0.00 0.18 -0.08 2.33 3.64 -1.97 -3.36 116.57 117.31 1jvi h LYS 124 Ca -0.00 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1jvi h LYS 124 Cb 0.26 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1jvi h LYS 124 CO 0.01 1.14 0.00 1.04 -2.27 0.00 0.00 179.45 179.38 1jvi n GLN 125 N -3.47 1.26 -4.14 1.90 6.02 -1.08 -4.99 117.38 112.88 1jvi n GLN 125 Ca -0.06 -1.48 -0.15 0.00 -0.01 0.00 0.00 57.00 55.30 1jvi n GLN 125 Cb 0.99 -1.29 -0.13 0.00 1.02 0.00 0.00 30.24 30.84 1jvi n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jvi n GLY 127 N 2.03 -1.45 2.73 0.00 0.00 -1.26 -4.28 105.19 102.95 1jvi n GLY 127 Ca -0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1jvi n GLY 127 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jvi n GLN 128 N -1.58 0.67 -0.42 1.61 7.27 -1.26 -5.02 117.38 118.66 1jvi n GLN 128 Ca 0.06 -1.55 0.39 0.00 0.07 0.00 0.00 57.00 55.98 1jvi n GLN 128 Cb 0.32 -1.23 0.76 0.00 2.41 0.00 0.00 30.24 32.51 1jvi n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jvi h ALA 129 N 3.80 3.28 0.00 1.69 0.00 -1.80 -0.85 119.26 125.39 1jvi h ALA 129 Ca -0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jvi h ALA 129 Cb 1.07 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jvi h ALA 129 CO 0.23 -1.68 -0.03 0.87 0.00 0.00 0.00 179.25 178.64 1jvi h LYS 130 N 0.01 0.00 -3.60 0.00 1.57 -1.95 -3.40 116.57 109.19 1jvi h LYS 130 Ca 0.66 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.68 1jvi h LYS 130 Cb 2.62 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 34.75 1jvi h LYS 130 CO -0.02 0.03 1.72 -0.11 -0.57 0.00 0.00 179.45 180.50 1jvi n LEU 131 N -3.11 6.39 -4.17 2.94 7.94 -0.32 -4.93 117.00 121.74 1jvi n LEU 131 Ca 0.03 -4.71 -0.10 0.00 -1.11 0.00 0.00 56.01 50.12 1jvi n LEU 131 Cb 0.48 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.86 1jvi n LEU 131 CO 0.33 1.33 -0.30 -1.00 -1.11 0.00 0.00 177.39 176.63 1jvi s HIS 132 N 0.07 0.93 -0.39 1.96 3.76 -1.26 -4.47 115.29 115.89 1jvi s HIS 132 Ca 0.39 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 1jvi s HIS 132 Cb 0.07 -0.52 0.19 0.00 1.11 0.00 0.00 32.58 33.42 1jvi s HIS 132 CO 0.02 -0.46 0.86 0.34 -0.85 0.00 0.00 174.74 174.64 1jvi s ASP 133 N -3.07 -0.94 0.28 1.40 3.68 -1.24 -4.81 116.67 111.96 1jvi s ASP 133 Ca 0.24 -0.71 0.01 0.00 2.13 0.00 0.00 52.55 54.22 1jvi s ASP 133 Cb 0.07 1.21 0.54 0.00 -1.45 0.00 0.00 42.92 43.30 1jvi s ASP 133 CO 0.02 -0.08 1.85 0.25 0.13 0.00 0.00 175.17 177.34 1jvi h LEU 134 N 5.64 0.94 -0.62 -1.34 5.85 -1.96 -1.34 115.31 122.48 1jvi h LEU 134 Ca 0.02 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1jvi h LEU 134 Cb 1.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1jvi h LEU 134 CO -0.01 0.51 0.15 -0.33 -0.34 0.00 0.00 178.44 178.43 1jvi h GLU 135 N 1.01 1.00 -0.19 1.25 4.39 -1.99 -1.46 114.58 118.59 1jvi h GLU 135 Ca 0.48 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1jvi h GLU 135 Cb 0.44 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1jvi h GLU 135 CO -0.25 0.91 0.12 0.78 -1.16 0.00 0.00 179.01 179.41 1jvi h GLY 136 N 0.91 0.27 0.65 -3.84 0.00 -1.69 -0.03 103.07 99.35 1jvi h GLY 136 Ca 0.19 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.48 1jvi h GLY 136 CO 0.00 0.11 0.45 0.00 0.00 0.00 0.00 176.54 177.10 1jvi h ALA 137 N 1.04 1.06 -0.24 3.60 0.00 -1.09 -2.09 119.26 121.53 1jvi h ALA 137 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1jvi h ALA 137 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jvi h ALA 137 CO -0.01 0.14 -0.30 0.87 0.00 0.00 0.00 179.25 179.94 1jvi h LYS 138 N 0.81 0.49 -0.05 0.00 1.57 -0.68 -1.48 116.57 117.22 1jvi h LYS 138 Ca 0.35 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1jvi h LYS 138 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1jvi h LYS 138 CO -0.20 0.74 0.01 -0.09 -0.57 0.00 0.00 179.45 179.35 1jvi h ARG 139 N 0.42 0.04 -0.34 3.15 2.43 -0.38 0.04 114.38 119.74 1jvi h ARG 139 Ca 0.05 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1jvi h ARG 139 Cb 0.74 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1jvi h ARG 139 CO 0.06 0.02 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.42 1jvi h LEU 140 N 0.04 0.52 -0.46 3.80 -0.00 -1.22 -0.27 115.31 117.72 1jvi h LEU 140 Ca 0.02 -0.12 -0.17 0.00 -0.00 0.00 0.00 57.88 57.61 1jvi h LEU 140 Cb 0.02 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1jvi h LEU 140 CO -0.03 0.63 -0.64 0.24 -0.00 0.00 0.00 178.44 178.64 1jvi h MET 141 N 0.51 0.48 -0.19 1.13 2.86 -0.92 0.40 114.93 119.20 1jvi h MET 141 Ca 0.10 -0.35 -0.16 0.00 -2.06 0.00 0.00 59.70 57.24 1jvi h MET 141 Cb 0.41 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1jvi h MET 141 CO 0.02 0.96 -0.55 0.00 1.06 0.00 0.00 176.91 178.41 1jvi h ARG 142 N 0.35 0.57 -0.92 1.72 3.08 -0.69 0.13 114.38 118.61 1jvi h ARG 142 Ca -0.01 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1jvi h ARG 142 Cb 1.20 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 1jvi h ARG 142 CO 0.11 0.97 0.52 0.35 -1.07 0.00 0.00 179.97 180.85 1jvi h PHE 143 N 0.44 1.25 0.33 3.04 3.57 -0.82 -1.09 116.94 123.66 1jvi h PHE 143 Ca 0.01 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1jvi h PHE 143 Cb 1.09 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1jvi h PHE 143 CO 0.05 0.86 -0.16 2.35 -2.23 0.00 0.00 178.31 179.17 1jvi h TRP 144 N 1.28 -0.41 0.00 0.41 2.91 -0.45 -3.08 115.95 116.61 1jvi h TRP 144 Ca 0.32 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.34 1jvi h TRP 144 Cb 0.01 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1jvi h TRP 144 CO 0.01 -0.07 0.02 1.28 -1.03 0.00 0.00 178.44 178.65 1jvi n LEU 145 N -5.13 0.56 -0.06 0.65 4.77 0.40 -1.08 117.00 117.11 1jvi n LEU 145 Ca -0.09 0.76 0.15 0.00 -0.03 0.00 0.00 56.01 56.79 1jvi n LEU 145 Cb 0.27 -0.82 0.70 0.00 -2.33 0.00 0.00 43.42 41.24 1jvi n LEU 145 CO 0.29 -0.95 0.95 -1.54 -1.33 0.00 0.00 177.39 174.81 1jvi n SER 146 N -2.26 0.23 -4.88 -1.43 3.41 -0.42 -4.87 113.62 103.40 1jvi n SER 146 Ca -0.01 -0.41 -0.30 0.00 -0.26 0.00 0.00 58.87 57.88 1jvi n SER 146 Cb 0.05 -0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1jvi n SER 146 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jvi s GLN 147 N -2.49 3.77 0.15 4.33 -1.52 -0.24 -5.05 119.66 118.62 1jvi s GLN 147 Ca 0.30 0.39 -0.28 0.00 -1.95 0.00 0.00 55.36 53.82 1jvi s GLN 147 Cb 0.20 -2.46 -0.07 0.00 -0.22 0.00 0.00 33.01 30.46 1jvi s GLN 147 CO 0.46 0.06 0.86 -0.51 -0.25 0.00 0.00 175.29 175.91 1jvi s ASP 148 N -3.02 7.46 0.22 5.90 1.01 -1.26 -4.96 116.67 122.03 1jvi s ASP 148 Ca 0.50 1.73 -0.07 0.00 0.71 0.00 0.00 52.55 55.42 1jvi s ASP 148 Cb -0.10 -2.55 0.32 0.00 1.01 0.00 0.00 42.92 41.60 1jvi s ASP 148 CO 0.29 0.10 1.78 0.11 0.21 0.00 0.00 175.17 177.66 1jvi h LYS 149 N 4.79 0.57 -0.30 8.23 1.57 -1.97 0.72 116.57 130.18 1jvi h LYS 149 Ca -0.45 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1jvi h LYS 149 Cb 1.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1jvi h LYS 149 CO 0.69 0.38 0.18 1.05 -0.57 0.00 0.00 179.45 181.17 1jvi h GLU 150 N 0.59 0.40 -0.18 3.15 4.11 -1.99 -2.21 114.58 118.45 1jvi h GLU 150 Ca 0.34 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.65 1jvi h GLU 150 Cb 0.35 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1jvi h GLU 150 CO -0.26 0.28 -0.25 0.93 0.07 0.00 0.00 179.01 179.77 1jvi h GLU 151 N 0.41 0.48 -0.17 1.06 4.39 -1.30 -3.00 114.58 116.44 1jvi h GLU 151 Ca 0.11 -0.28 0.05 0.00 0.34 0.00 0.00 59.36 59.58 1jvi h GLU 151 Cb -0.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1jvi h GLU 151 CO -0.02 0.87 0.15 -0.07 -1.16 0.00 0.00 179.01 178.79 1jvi h LEU 152 N 0.13 0.00 -0.15 1.33 3.38 -0.71 0.54 115.31 119.82 1jvi h LEU 152 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jvi h LEU 152 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1jvi h LEU 152 CO 0.06 0.00 -0.16 0.18 0.09 0.00 0.00 178.44 178.61 1jvi n LEU 153 N -4.12 0.39 -4.38 1.67 4.77 -0.88 -1.01 117.00 113.44 1jvi n LEU 153 Ca 0.01 0.10 -0.45 0.00 -0.03 0.00 0.00 56.01 55.64 1jvi n LEU 153 Cb 0.28 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1jvi n LEU 153 CO 0.31 0.08 0.63 -0.54 -1.33 0.00 0.00 177.39 176.54 1jvi s LYS 154 N -2.66 3.52 0.47 3.23 1.02 0.18 -4.88 119.74 120.61 1jvi s LYS 154 Ca 0.23 -2.03 0.16 0.00 0.02 0.00 0.00 55.97 54.35 1jvi s LYS 154 Cb 0.19 -4.59 1.13 0.00 -0.52 0.00 0.00 37.83 34.05 1jvi s LYS 154 CO 0.52 -1.51 2.01 0.28 -0.92 0.00 0.00 175.35 175.74 1jvi h VAL 155 N 5.35 0.89 -0.27 3.17 2.07 -1.82 -2.45 116.25 123.19 1jvi h VAL 155 Ca 0.06 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1jvi h VAL 155 Cb 1.04 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1jvi h VAL 155 CO 0.94 0.05 -0.06 0.49 0.02 0.00 0.00 177.57 179.00 1jvi n PHE 156 N -4.46 0.87 -0.82 1.57 3.01 -1.26 -1.06 117.46 115.31 1jvi n PHE 156 Ca 0.08 -1.30 0.00 0.00 1.01 0.00 0.00 57.45 57.24 1jvi n PHE 156 Cb 0.37 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1jvi n PHE 156 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18