#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vka s VAL 3 N 0.00 4.75 0.34 0.00 1.01 -1.26 -4.91 120.40 120.33 1vka s VAL 3 Ca 0.00 1.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.85 1vka s VAL 3 Cb 0.00 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 1vka s VAL 3 CO 0.00 -0.07 0.70 0.20 0.00 0.00 0.00 175.10 175.93 1vka s ASN 4 N 1.15 6.62 -0.08 3.32 0.01 -1.26 -4.84 114.94 119.86 1vka s ASN 4 Ca 0.45 1.11 0.02 0.00 -0.71 0.00 0.00 52.86 53.73 1vka s ASN 4 Cb -0.17 -2.31 0.01 0.00 0.41 0.00 0.00 41.25 39.20 1vka s ASN 4 CO 0.12 -0.26 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.62 1vka s VAL 5 N -2.12 1.30 0.37 1.60 1.01 -1.26 -5.06 120.40 116.24 1vka s VAL 5 Ca 0.51 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1vka s VAL 5 Cb -0.10 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 1vka s VAL 5 CO 0.25 0.39 -0.04 -0.31 0.00 0.00 0.00 175.10 175.39 1vka s TYR 6 N 0.70 2.44 0.56 5.22 2.02 -1.26 -4.96 117.35 122.08 1vka s TYR 6 Ca -0.13 -0.60 0.26 0.00 -0.37 0.00 0.00 57.07 56.22 1vka s TYR 6 Cb -0.16 -1.57 1.53 0.00 -0.40 0.00 0.00 41.96 41.36 1vka s TYR 6 CO 0.03 0.50 2.09 0.66 -1.57 0.00 0.00 175.55 177.26 1vka h SER 7 N 1.91 0.00 0.31 2.29 4.64 -2.03 -1.32 113.55 119.34 1vka h SER 7 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1vka h SER 7 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1vka h SER 7 CO 0.75 0.00 -0.29 0.35 -0.87 0.00 0.00 176.83 176.77 1vka n THR 8 N -4.08 0.00 -2.18 2.95 -2.24 -1.26 -4.91 114.28 102.55 1vka n THR 8 Ca 0.03 -0.09 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 1vka n THR 8 Cb 0.34 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1vka n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1vka s SER 9 N -2.61 5.86 -0.20 3.42 0.01 -0.50 -4.99 113.70 114.69 1vka s SER 9 Ca 0.22 2.33 -0.29 0.00 1.31 0.00 0.00 55.95 59.52 1vka s SER 9 Cb 0.19 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1vka s SER 9 CO 0.55 -1.13 1.01 -0.69 0.41 0.00 0.00 173.24 173.39 1vka s VAL 10 N -1.58 4.73 0.27 3.43 1.01 -1.26 -4.91 120.40 122.09 1vka s VAL 10 Ca 0.68 1.98 0.02 0.00 0.00 0.00 0.00 61.98 64.65 1vka s VAL 10 Cb -0.29 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 1vka s VAL 10 CO 0.34 -0.12 0.11 0.42 0.00 0.00 0.00 175.10 175.85 1vka s THR 11 N 2.86 0.52 1.00 3.92 -4.23 -1.26 -5.12 115.64 113.33 1vka s THR 11 Ca 0.44 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.83 1vka s THR 11 Cb -0.16 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.26 1vka s THR 11 CO 0.09 0.00 1.09 -0.44 -0.54 0.00 0.00 174.62 174.82 1vka s SER 12 N -3.33 2.36 0.66 3.99 0.01 -1.26 -4.98 113.70 111.14 1vka s SER 12 Ca 0.37 1.76 -0.18 0.00 1.31 0.00 0.00 55.95 59.22 1vka s SER 12 Cb 0.07 -2.38 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 1vka s SER 12 CO 0.14 -3.38 1.24 -0.90 0.41 0.00 0.00 173.24 170.75 1vka n ASP 13 N -4.39 1.82 -4.71 2.44 3.85 -1.26 -4.97 116.55 109.33 1vka n ASP 13 Ca 0.07 0.80 -0.35 0.00 -0.71 0.00 0.00 54.79 54.61 1vka n ASP 13 Cb 0.54 -1.53 0.10 0.00 -1.35 0.00 0.00 41.12 38.88 1vka n ASP 13 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 1vka s ASN 14 N -1.43 3.98 0.04 -1.12 -0.87 -1.26 -5.02 114.94 109.26 1vka s ASN 14 Ca 0.81 2.47 -0.01 0.00 -1.57 0.00 0.00 52.86 54.56 1vka s ASN 14 Cb -0.38 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.21 1vka s ASN 14 CO 0.42 -2.41 0.21 -0.76 -2.57 0.00 0.00 177.10 171.98 1vka s LEU 15 N -5.18 4.36 0.90 0.60 1.43 -1.26 -5.11 118.68 114.42 1vka s LEU 15 Ca 0.77 0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 54.08 1vka s LEU 15 Cb -0.32 -2.84 0.14 0.00 0.03 0.00 0.00 46.19 43.19 1vka s LEU 15 CO 0.46 0.20 1.15 -0.94 0.23 0.00 0.00 176.35 177.45 1vka s SER 16 N -2.29 3.07 0.26 2.29 1.04 -1.26 -4.78 113.70 112.03 1vka s SER 16 Ca 0.32 2.17 -0.04 0.00 0.48 0.00 0.00 55.95 58.89 1vka s SER 16 Cb -0.13 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.79 1vka s SER 16 CO 0.24 -3.01 1.88 0.08 0.98 0.00 0.00 173.24 173.42 1vka h ARG 17 N -1.77 1.11 -0.38 4.02 0.11 -1.99 0.09 114.38 115.58 1vka h ARG 17 Ca -0.43 -0.07 0.02 0.00 0.10 0.00 0.00 59.98 59.60 1vka h ARG 17 Cb 1.27 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 32.07 1vka h ARG 17 CO 0.42 0.74 0.22 1.25 0.10 0.00 0.00 179.97 182.70 1vka h HIS 18 N 1.15 0.41 0.00 4.08 2.76 -1.99 -0.81 115.15 120.75 1vka h HIS 18 Ca 0.41 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.45 1vka h HIS 18 Cb 0.12 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1vka h HIS 18 CO -0.01 0.24 -0.66 -0.44 -1.30 0.00 0.00 177.93 175.76 1vka h ASP 19 N 0.45 0.00 -0.24 3.26 3.45 -1.82 -1.46 116.42 120.06 1vka h ASP 19 Ca 0.15 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.55 1vka h ASP 19 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1vka h ASP 19 CO -0.07 0.66 -0.07 -0.03 -1.57 0.00 0.00 179.24 178.17 1vka h MET 20 N 0.00 0.47 -0.27 3.56 4.05 -0.79 -1.41 114.93 120.54 1vka h MET 20 Ca -0.01 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.18 1vka h MET 20 Cb 1.27 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 1vka h MET 20 CO 0.09 0.70 -0.03 -0.07 0.23 0.00 0.00 176.91 177.83 1vka h LEU 21 N 0.20 0.38 -0.46 3.39 3.38 -1.02 -1.90 115.31 119.28 1vka h LEU 21 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1vka h LEU 21 Cb 0.54 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1vka h LEU 21 CO 0.03 0.47 0.23 0.00 0.09 0.00 0.00 178.44 179.25 1vka h ALA 22 N 1.58 0.59 -0.27 1.53 0.00 -1.00 0.40 119.26 122.10 1vka h ALA 22 Ca 0.09 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vka h ALA 22 Cb 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1vka h ALA 22 CO 0.01 0.14 0.11 2.35 0.00 0.00 0.00 179.25 181.87 1vka h TRP 23 N 0.60 0.21 -0.05 0.00 7.01 -0.82 0.96 115.95 123.87 1vka h TRP 23 Ca 0.16 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 1vka h TRP 23 Cb 0.10 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 1vka h TRP 23 CO -0.01 0.11 0.02 0.82 -2.79 0.00 0.00 178.44 176.58 1vka h ILE 24 N 0.25 1.15 -0.43 2.65 2.04 -1.12 -0.99 117.51 121.07 1vka h ILE 24 Ca 0.12 -0.46 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 1vka h ILE 24 Cb 0.06 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1vka h ILE 24 CO -0.10 0.13 -0.21 0.78 0.00 0.00 0.00 178.15 178.75 1vka h ASN 25 N -0.10 0.92 -0.18 1.72 2.35 -0.76 -0.91 115.58 118.63 1vka h ASN 25 Ca 0.02 -0.40 -0.20 0.00 -0.55 0.00 0.00 56.30 55.16 1vka h ASN 25 Cb 0.19 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.31 1vka h ASN 25 CO -0.00 1.12 -0.65 -0.33 -1.65 0.00 0.00 177.43 175.92 1vka h GLU 26 N 0.72 0.76 -0.14 0.81 5.08 -0.83 0.89 114.58 121.86 1vka h GLU 26 Ca 0.09 -0.58 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 1vka h GLU 26 Cb 0.78 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1vka h GLU 26 CO 0.06 1.19 -0.50 0.77 -1.00 0.00 0.00 179.01 179.54 1vka h SER 27 N 0.48 0.41 -0.15 1.42 0.02 -1.12 -3.27 113.55 111.34 1vka h SER 27 Ca -0.03 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1vka h SER 27 Cb 1.28 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1vka h SER 27 CO 0.14 0.84 0.00 0.18 -1.14 0.00 0.00 176.83 176.85 1vka n LEU 28 N -3.96 2.36 -3.68 5.07 4.77 -0.35 -4.72 117.00 116.48 1vka n LEU 28 Ca -0.02 -1.39 -0.24 0.00 -0.03 0.00 0.00 56.01 54.33 1vka n LEU 28 Cb 0.56 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1vka n LEU 28 CO 0.44 0.51 -0.08 0.00 -1.33 0.00 0.00 177.39 176.94 1vka n GLN 29 N 0.62 -3.28 -4.08 3.23 3.00 0.22 -4.65 117.38 112.44 1vka n GLN 29 Ca 0.09 0.57 -0.27 0.00 -0.01 0.00 0.00 57.00 57.37 1vka n GLN 29 Cb 0.35 -4.84 -0.03 0.00 0.00 0.00 0.00 30.24 25.71 1vka n GLN 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vka n LEU 30 N -4.15 0.00 -2.80 1.08 4.77 -0.67 -4.98 117.00 110.25 1vka n LEU 30 Ca -0.21 -2.78 -0.01 0.00 -0.03 0.00 0.00 56.01 52.97 1vka n LEU 30 Cb 0.65 0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.95 1vka n LEU 30 CO 0.68 -0.48 -0.01 0.59 -1.33 0.00 0.00 177.39 176.84 1vka n ASN 31 N -1.53 1.69 -4.77 -1.43 4.13 -1.26 -4.64 115.26 107.45 1vka n ASN 31 Ca -0.12 -2.12 -0.40 0.00 1.68 0.00 0.00 54.58 53.62 1vka n ASN 31 Cb 0.58 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 1vka n ASN 31 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1vka s LEU 32 N -3.76 4.19 -0.00 3.41 1.02 -1.26 -4.94 118.68 117.33 1vka s LEU 32 Ca 0.28 2.77 0.07 0.00 0.02 0.00 0.00 54.13 57.26 1vka s LEU 32 Cb 0.33 -3.89 -0.08 0.00 0.02 0.00 0.00 46.19 42.57 1vka s LEU 32 CO -0.03 -0.95 0.26 0.35 0.02 0.00 0.00 176.35 175.99 1vka n THR 33 N 0.05 0.00 -3.84 5.49 -2.24 -1.26 -5.00 114.28 107.49 1vka n THR 33 Ca 0.04 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1vka n THR 33 Cb 0.43 0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 1vka n THR 33 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vka s LYS 34 N -1.83 0.36 0.47 -0.78 -0.14 -1.26 -5.03 119.74 111.52 1vka s LYS 34 Ca 0.01 -0.07 0.12 0.00 -1.36 0.00 0.00 55.97 54.67 1vka s LYS 34 Cb 0.05 0.16 1.07 0.00 -1.68 0.00 0.00 37.83 37.43 1vka s LYS 34 CO 0.28 -0.07 2.10 0.82 -0.76 0.00 0.00 175.35 177.72 1vka h ILE 35 N 4.54 1.05 -0.27 2.17 1.08 -1.96 -2.07 117.51 122.05 1vka h ILE 35 Ca -0.28 -0.09 0.08 0.00 -0.39 0.00 0.00 64.86 64.17 1vka h ILE 35 Cb 1.19 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 1vka h ILE 35 CO 0.40 0.05 0.27 -0.33 -0.69 0.00 0.00 178.15 177.85 1vka h GLU 36 N 0.28 0.00 0.00 2.37 3.07 -1.88 -1.47 114.58 116.95 1vka h GLU 36 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1vka h GLU 36 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1vka h GLU 36 CO -0.02 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.63 1vka n GLN 37 N -3.89 0.11 0.02 2.33 6.02 -0.78 -1.69 117.38 119.51 1vka n GLN 37 Ca 0.04 0.38 0.08 0.00 -0.01 0.00 0.00 57.00 57.48 1vka n GLN 37 Cb 0.42 -1.72 0.34 0.00 1.02 0.00 0.00 30.24 30.29 1vka n GLN 37 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1vka n LEU 38 N -1.93 0.12 0.27 1.08 4.77 -0.55 -3.14 117.00 117.62 1vka n LEU 38 Ca 0.02 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 1vka n LEU 38 Cb 0.18 -0.52 0.71 0.00 -2.33 0.00 0.00 43.42 41.47 1vka n LEU 38 CO 0.16 -0.32 1.00 0.00 -1.33 0.00 0.00 177.39 176.91 1vka h SER 40 N 0.00 0.00 0.00 0.00 4.64 -1.82 -3.38 113.55 112.99 1vka h SER 40 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vka h SER 40 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1vka h SER 40 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1vka n GLY 41 N 1.15 2.35 0.23 -0.77 0.00 -0.73 -4.52 105.19 102.91 1vka n GLY 41 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1vka n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vka h ALA 42 N 0.00 0.55 -0.71 4.61 0.00 -1.86 -2.06 119.26 119.78 1vka h ALA 42 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1vka h ALA 42 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1vka h ALA 42 CO 0.00 0.43 0.36 0.00 0.00 0.00 0.00 179.25 180.05 1vka h ALA 43 N 0.84 0.91 -0.65 0.00 0.00 -1.90 -1.22 119.26 117.24 1vka h ALA 43 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vka h ALA 43 Cb 0.64 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1vka h ALA 43 CO 0.04 0.46 0.41 1.88 0.00 0.00 0.00 179.25 182.04 1vka h TYR 44 N 0.99 0.84 -0.46 0.00 0.05 -1.88 -0.10 116.97 116.41 1vka h TYR 44 Ca 0.25 0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.07 1vka h TYR 44 Cb 0.08 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 1vka h TYR 44 CO 0.00 0.56 0.24 0.00 -1.05 0.00 0.00 178.16 177.91 1vka h GLN 46 N 0.47 1.00 -0.34 0.00 4.15 -0.67 -2.09 115.11 117.63 1vka h GLN 46 Ca 0.20 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 1vka h GLN 46 Cb 0.09 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1vka h GLN 46 CO -0.13 0.93 0.03 0.74 -1.93 0.00 0.00 178.83 178.47 1vka h PHE 47 N 0.93 0.52 -0.71 3.99 0.05 -0.69 -0.91 116.94 120.13 1vka h PHE 47 Ca 0.19 -0.04 -0.07 0.00 3.82 0.00 0.00 57.97 61.86 1vka h PHE 47 Cb 0.43 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.20 1vka h PHE 47 CO 0.03 0.49 0.18 0.52 -0.18 0.00 0.00 178.31 179.35 1vka h MET 48 N 0.50 1.14 -0.82 1.51 2.86 -0.88 -0.00 114.93 119.24 1vka h MET 48 Ca 0.11 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1vka h MET 48 Cb 0.27 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 1vka h MET 48 CO 0.00 1.00 0.53 0.22 1.06 0.00 0.00 176.91 179.72 1vka h ASP 49 N 1.08 0.87 -0.31 1.22 3.58 -0.73 0.12 116.42 122.26 1vka h ASP 49 Ca 0.22 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.62 1vka h ASP 49 Cb 0.37 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1vka h ASP 49 CO 0.00 0.60 0.01 -0.03 -2.88 0.00 0.00 179.24 176.94 1vka h MET 50 N 1.02 0.55 -0.01 0.28 4.05 -0.89 -2.56 114.93 117.38 1vka h MET 50 Ca 0.33 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1vka h MET 50 Cb 0.00 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1vka h MET 50 CO -0.11 0.68 -0.00 -0.07 0.23 0.00 0.00 176.91 177.64 1vka h LEU 51 N 0.35 0.01 -6.64 3.39 3.38 -0.85 -3.40 115.31 111.55 1vka h LEU 51 Ca 0.09 -0.34 -0.60 0.00 0.09 0.00 0.00 57.88 57.12 1vka h LEU 51 Cb 0.43 -0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.78 1vka h LEU 51 CO 0.01 0.35 -0.84 -0.36 0.09 0.00 0.00 178.44 177.70 1vka s PHE 52 N -4.83 1.71 0.12 1.13 0.08 0.42 -4.86 117.98 111.75 1vka s PHE 52 Ca -0.15 -2.48 -0.34 0.00 0.12 0.00 0.00 56.93 54.08 1vka s PHE 52 Cb 0.03 -1.45 -0.14 0.00 -0.57 0.00 0.00 43.02 40.89 1vka s PHE 52 CO 0.67 -0.76 1.58 -2.30 -0.10 0.00 0.00 175.22 174.31 1vka n PRO 53 N 2.90 2.01 -0.16 0.24 -0.02 -0.96 -1.17 135.00 137.83 1vka n PRO 53 Ca 0.22 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1vka n PRO 53 Cb 0.42 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1vka n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vka n GLY 54 N 3.41 0.71 0.21 -1.23 0.00 -1.26 -4.95 105.19 102.08 1vka n GLY 54 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1vka n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vka h SER 55 N 0.00 0.00 -4.25 1.61 4.64 -1.43 -3.45 113.55 110.67 1vka h SER 55 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1vka h SER 55 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 1vka h SER 55 CO 0.00 0.19 -0.89 -0.63 -0.87 0.00 0.00 176.83 174.63 1vka s ILE 56 N -3.37 2.07 -1.21 0.95 -1.09 -1.26 -4.07 121.20 113.21 1vka s ILE 56 Ca 0.03 -1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 57.18 1vka s ILE 56 Cb 0.08 -1.73 -0.02 0.00 -1.58 0.00 0.00 42.46 39.21 1vka s ILE 56 CO 0.65 0.57 1.88 0.00 -1.23 0.00 0.00 174.94 176.82 1vka n ALA 57 N 2.74 3.02 -0.20 9.38 0.00 -1.26 -4.84 120.51 129.36 1vka n ALA 57 Ca -0.17 -3.47 0.05 0.00 0.00 0.00 0.00 53.44 49.86 1vka n ALA 57 Cb 0.52 -3.55 0.33 0.00 0.00 0.00 0.00 19.45 16.74 1vka n ALA 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vka h LEU 58 N 14.52 0.71 -1.63 0.00 5.85 -1.96 -1.16 115.31 131.64 1vka h LEU 58 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1vka h LEU 58 Cb 0.85 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1vka h LEU 58 CO 1.46 0.47 0.00 0.11 -0.34 0.00 0.00 178.44 180.14 1vka h LYS 59 N 0.81 0.00 0.00 1.25 6.56 -1.96 -2.56 116.57 120.68 1vka h LYS 59 Ca 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1vka h LYS 59 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1vka h LYS 59 CO -0.10 0.00 -1.32 1.63 -2.06 0.00 0.00 179.45 177.59 1vka n LYS 60 N -2.57 0.22 -2.18 3.15 4.01 -0.44 -4.93 118.16 115.41 1vka n LYS 60 Ca -0.01 -0.07 -0.41 0.00 -0.51 0.00 0.00 58.31 57.32 1vka n LYS 60 Cb 0.13 -1.51 -0.03 0.00 -0.51 0.00 0.00 35.03 33.11 1vka n LYS 60 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1vka s VAL 61 N -3.17 3.10 -0.64 -0.18 1.01 -0.97 -4.92 120.40 114.63 1vka s VAL 61 Ca 0.03 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.76 1vka s VAL 61 Cb 0.15 -3.59 0.14 0.00 0.00 0.00 0.00 36.38 33.09 1vka s VAL 61 CO 0.88 0.14 0.65 -0.54 0.00 0.00 0.00 175.10 176.24 1vka s LYS 62 N -0.27 3.18 0.47 2.72 1.02 -1.26 -4.92 119.74 120.68 1vka s LYS 62 Ca 0.56 -1.78 0.30 0.00 0.02 0.00 0.00 55.97 55.08 1vka s LYS 62 Cb -0.37 -4.35 1.07 0.00 -0.52 0.00 0.00 37.83 33.65 1vka s LYS 62 CO 0.40 -1.41 1.86 0.74 -0.92 0.00 0.00 175.35 176.02 1vka h PHE 63 N 8.72 0.00 -0.43 3.18 0.04 -1.96 -3.11 116.94 123.37 1vka h PHE 63 Ca -0.18 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.32 1vka h PHE 63 Cb 1.08 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.06 1vka h PHE 63 CO 0.85 0.00 -0.19 1.04 -0.60 0.00 0.00 178.31 179.41 1vka n GLN 64 N -2.94 2.18 -1.91 1.51 3.00 -1.26 -5.03 117.38 112.92 1vka n GLN 64 Ca 0.02 -3.39 -0.41 0.00 -0.01 0.00 0.00 57.00 53.20 1vka n GLN 64 Cb 0.35 -1.91 -0.02 0.00 0.00 0.00 0.00 30.24 28.66 1vka n GLN 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vka s ALA 65 N -3.36 3.65 0.00 -1.58 0.00 -1.18 -4.92 121.76 114.37 1vka s ALA 65 Ca 0.47 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1vka s ALA 65 Cb 0.41 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1vka s ALA 65 CO -0.01 -0.86 0.00 1.63 0.00 0.00 0.00 175.76 176.53 1vka n LYS 66 N 1.87 4.32 -4.81 0.00 4.01 -1.26 -5.00 118.16 117.30 1vka n LYS 66 Ca 0.06 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.56 1vka n LYS 66 Cb 0.39 -0.57 -0.14 0.00 -0.51 0.00 0.00 35.03 34.20 1vka n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1vka s LEU 67 N -1.93 2.22 0.25 -0.35 1.43 -1.26 -5.04 118.68 114.00 1vka s LEU 67 Ca 0.00 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1vka s LEU 67 Cb 0.00 -1.29 0.42 0.00 0.03 0.00 0.00 46.19 45.35 1vka s LEU 67 CO 0.00 0.25 1.83 -0.08 0.23 0.00 0.00 176.35 178.58 1vka h GLU 68 N 4.62 0.89 0.00 1.70 4.81 -1.98 -0.91 114.58 123.72 1vka h GLU 68 Ca -0.47 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1vka h GLU 68 Cb 1.15 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1vka h GLU 68 CO 0.43 0.59 -0.14 1.12 -0.73 0.00 0.00 179.01 180.28 1vka h HIS 69 N 0.92 0.00 -0.20 0.92 2.07 -1.97 -1.11 115.15 115.78 1vka h HIS 69 Ca 0.42 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.75 1vka h HIS 69 Cb 0.32 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.30 1vka h HIS 69 CO -0.03 0.14 -0.62 0.93 -3.07 0.00 0.00 177.93 175.28 1vka h GLU 70 N 0.00 0.69 -0.64 5.12 5.08 -1.61 -2.20 114.58 121.03 1vka h GLU 70 Ca -0.00 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1vka h GLU 70 Cb 0.26 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1vka h GLU 70 CO 0.02 1.10 0.40 1.88 -1.00 0.00 0.00 179.01 181.40 1vka h TYR 71 N 0.51 0.75 -0.72 4.33 0.05 -0.76 -1.74 116.97 119.39 1vka h TYR 71 Ca -0.01 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 1vka h TYR 71 Cb 1.20 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.67 1vka h TYR 71 CO 0.06 0.43 0.37 0.82 -1.05 0.00 0.00 178.16 178.79 1vka h ILE 72 N 0.78 1.23 -0.49 -2.88 2.04 -1.10 -0.41 117.51 116.69 1vka h ILE 72 Ca 0.25 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.57 1vka h ILE 72 Cb 0.01 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 1vka h ILE 72 CO -0.10 0.26 0.21 1.56 0.00 0.00 0.00 178.15 180.08 1vka h GLN 73 N 0.99 0.41 -0.77 2.37 4.20 -0.90 -0.22 115.11 121.20 1vka h GLN 73 Ca 0.25 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.94 1vka h GLN 73 Cb 0.07 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1vka h GLN 73 CO -0.04 0.27 0.51 -0.91 -0.67 0.00 0.00 178.83 178.00 1vka h ASN 74 N 0.42 0.88 0.24 1.46 2.35 -0.76 -2.44 115.58 117.74 1vka h ASN 74 Ca 0.22 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 1vka h ASN 74 Cb 0.18 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1vka h ASN 74 CO -0.19 0.64 -0.35 -0.26 -1.65 0.00 0.00 177.43 175.62 1vka h PHE 75 N 1.04 0.18 -0.37 1.19 -1.00 -0.57 -1.83 116.94 115.59 1vka h PHE 75 Ca 0.28 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.93 1vka h PHE 75 Cb -0.12 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.38 1vka h PHE 75 CO -0.02 0.50 -0.15 0.87 -1.61 0.00 0.00 178.31 177.90 1vka h LYS 76 N 0.14 0.68 -0.54 1.51 1.57 -0.73 0.68 116.57 119.88 1vka h LYS 76 Ca 0.02 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1vka h LYS 76 Cb 0.69 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1vka h LYS 76 CO 0.05 0.79 0.33 0.82 -0.57 0.00 0.00 179.45 180.88 1vka h ILE 77 N 0.61 1.08 -0.46 1.86 2.04 -0.98 -1.69 117.51 119.97 1vka h ILE 77 Ca 0.10 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1vka h ILE 77 Cb 0.60 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1vka h ILE 77 CO 0.04 0.12 0.20 0.25 0.00 0.00 0.00 178.15 178.76 1vka h LEU 78 N 0.66 0.61 -1.10 1.44 5.85 -0.79 -1.78 115.31 120.20 1vka h LEU 78 Ca 0.21 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1vka h LEU 78 Cb -0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1vka h LEU 78 CO -0.08 0.59 0.51 1.56 -0.34 0.00 0.00 178.44 180.68 1vka h GLN 79 N 0.59 1.12 -0.43 1.25 4.20 -0.72 0.32 115.11 121.43 1vka h GLN 79 Ca 0.15 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1vka h GLN 79 Cb 0.16 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1vka h GLN 79 CO -0.02 0.78 -0.04 0.00 -0.67 0.00 0.00 178.83 178.88 1vka h ALA 80 N 1.42 1.12 -0.33 3.87 0.00 -0.98 -0.39 119.26 123.97 1vka h ALA 80 Ca 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1vka h ALA 80 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1vka h ALA 80 CO -0.06 0.56 0.06 0.78 0.00 0.00 0.00 179.25 180.59 1vka h GLY 81 N 0.96 0.58 0.64 0.00 0.00 -0.42 -0.92 103.07 103.91 1vka h GLY 81 Ca 0.13 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.14 1vka h GLY 81 CO 0.02 0.35 0.30 0.74 0.00 0.00 0.00 176.54 177.95 1vka h PHE 82 N 0.37 0.54 -0.28 5.60 0.05 -0.65 -1.77 116.94 120.80 1vka h PHE 82 Ca 0.10 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.91 1vka h PHE 82 Cb 0.34 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 1vka h PHE 82 CO 0.02 0.24 0.14 -0.22 -0.18 0.00 0.00 178.31 178.31 1vka h LYS 83 N 0.56 0.39 -0.92 1.51 3.64 -0.87 0.01 116.57 120.89 1vka h LYS 83 Ca 0.27 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.71 1vka h LYS 83 Cb 0.21 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 1vka h LYS 83 CO -0.20 0.37 0.59 -0.09 -2.27 0.00 0.00 179.45 177.85 1vka h ARG 84 N 0.32 0.85 -0.19 1.90 9.65 -0.78 -2.52 114.38 123.62 1vka h ARG 84 Ca 0.10 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1vka h ARG 84 Cb 0.09 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1vka h ARG 84 CO -0.01 0.56 0.00 -1.33 2.80 0.00 0.00 179.97 181.99 1vka n MET 85 N -4.55 2.14 -2.50 0.20 2.81 -0.70 -4.94 117.12 109.58 1vka n MET 85 Ca 0.16 -1.70 -0.10 0.00 -1.81 0.00 0.00 57.70 54.25 1vka n MET 85 Cb 0.35 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.40 1vka n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vka n GLY 86 N 1.32 0.08 3.65 3.03 0.00 -0.64 -1.27 105.19 111.37 1vka n GLY 86 Ca 0.17 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1vka n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vka s VAL 87 N -2.74 4.79 -0.95 1.61 1.01 -0.10 -4.69 120.40 119.32 1vka s VAL 87 Ca 0.10 1.75 0.12 0.00 0.00 0.00 0.00 61.98 63.96 1vka s VAL 87 Cb -0.05 -4.19 0.57 0.00 0.00 0.00 0.00 36.38 32.71 1vka s VAL 87 CO 0.13 -0.09 1.42 -0.90 0.00 0.00 0.00 175.10 175.65 1vka n ASP 88 N 5.96 3.99 -4.71 3.32 5.68 -1.26 -4.65 116.55 124.88 1vka n ASP 88 Ca 0.08 -2.46 -0.42 0.00 -0.50 0.00 0.00 54.79 51.49 1vka n ASP 88 Cb 0.47 -0.55 -0.03 0.00 -1.14 0.00 0.00 41.12 39.87 1vka n ASP 88 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1vka s LYS 89 N -1.96 4.53 -0.11 0.11 2.47 -1.26 -5.03 119.74 118.49 1vka s LYS 89 Ca 0.39 1.35 -0.27 0.00 -1.56 0.00 0.00 55.97 55.88 1vka s LYS 89 Cb 0.27 -3.46 -0.02 0.00 -1.46 0.00 0.00 37.83 33.16 1vka s LYS 89 CO 0.16 -0.05 0.90 0.42 0.16 0.00 0.00 175.35 176.94 1vka s ILE 90 N 1.05 4.87 -0.23 5.43 1.01 -1.26 -5.03 121.20 127.03 1vka s ILE 90 Ca 0.50 1.82 -0.20 0.00 0.00 0.00 0.00 60.65 62.77 1vka s ILE 90 Cb -0.20 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 1vka s ILE 90 CO 0.26 0.07 0.62 -0.63 0.00 0.00 0.00 174.94 175.26 1vka s ILE 91 N 1.75 5.01 -1.49 2.92 1.01 -1.26 -4.98 121.20 124.16 1vka s ILE 91 Ca 0.44 1.15 -0.13 0.00 0.00 0.00 0.00 60.65 62.11 1vka s ILE 91 Cb -0.18 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1vka s ILE 91 CO 0.17 0.07 2.47 -0.81 0.00 0.00 0.00 174.94 176.84 1vka n PRO 92 N 5.38 3.09 -0.12 2.79 -0.04 -1.26 -4.75 135.00 140.09 1vka n PRO 92 Ca -0.01 -2.43 -0.05 0.00 -0.04 0.00 0.00 63.50 60.97 1vka n PRO 92 Cb 0.49 -3.10 0.03 0.00 -0.04 0.00 0.00 33.50 30.88 1vka n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vka h VAL 93 N 3.67 0.87 -0.83 0.52 2.07 -1.99 -1.73 116.25 118.83 1vka h VAL 93 Ca 0.67 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 68.19 1vka h VAL 93 Cb 0.51 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1vka h VAL 93 CO 1.85 0.05 0.54 -2.24 0.02 0.00 0.00 177.57 177.79 1vka h ASP 94 N 0.29 0.68 -0.01 0.57 -0.00 -2.01 -2.11 116.42 113.84 1vka h ASP 94 Ca 0.19 0.02 -0.06 0.00 -0.00 0.00 0.00 57.03 57.18 1vka h ASP 94 Cb 0.18 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.39 1vka h ASP 94 CO -0.20 0.40 -0.21 0.11 -0.00 0.00 0.00 179.24 179.34 1vka h LYS 95 N 0.75 0.16 -0.86 4.15 1.57 -1.76 -3.37 116.57 117.21 1vka h LYS 95 Ca 0.39 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1vka h LYS 95 Cb 0.48 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1vka h LYS 95 CO -0.16 0.88 0.53 -0.07 -0.57 0.00 0.00 179.45 180.06 1vka h LEU 96 N -0.50 1.02 -0.81 2.94 3.38 -0.71 -2.48 115.31 118.16 1vka h LEU 96 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1vka h LEU 96 Cb 0.95 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1vka h LEU 96 CO 0.04 0.78 0.00 1.33 0.09 0.00 0.00 178.44 180.68 1vka n VAL 97 N -4.44 0.84 0.36 1.22 0.24 -0.86 -1.69 118.33 114.00 1vka n VAL 97 Ca 0.09 0.28 0.14 0.00 -2.04 0.00 0.00 64.34 62.81 1vka n VAL 97 Cb 0.05 -1.22 0.53 0.00 -1.47 0.00 0.00 33.84 31.73 1vka n VAL 97 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1vka h LYS 98 N 0.00 0.00 -0.11 7.34 1.57 -1.62 -3.47 116.57 120.29 1vka h LYS 98 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1vka h LYS 98 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1vka h LYS 98 CO 0.00 0.00 -0.02 0.41 -0.57 0.00 0.00 179.45 179.27 1vka n GLY 99 N 0.23 0.37 3.78 3.86 0.00 -0.68 -5.03 105.19 107.72 1vka n GLY 99 Ca 0.02 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1vka n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vka s LYS 100 N -3.39 4.56 0.11 1.61 1.02 -1.26 -4.82 119.74 117.57 1vka s LYS 100 Ca 0.00 1.20 -0.19 0.00 0.02 0.00 0.00 55.97 56.99 1vka s LYS 100 Cb 0.00 -3.09 -0.07 0.00 -0.52 0.00 0.00 37.83 34.14 1vka s LYS 100 CO 0.00 0.47 1.68 0.35 -0.92 0.00 0.00 175.35 176.93 1vka h PHE 101 N 3.88 0.31 -0.30 3.18 3.04 -1.95 -2.89 116.94 122.20 1vka h PHE 101 Ca -0.47 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.45 1vka h PHE 101 Cb 1.20 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 1vka h PHE 101 CO 0.63 0.31 0.13 0.37 -2.02 0.00 0.00 178.31 177.73 1vka h GLN 102 N 0.23 0.44 -0.47 1.11 5.75 -1.99 0.26 115.11 120.44 1vka h GLN 102 Ca 0.08 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1vka h GLN 102 Cb 0.11 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1vka h GLN 102 CO -0.01 0.44 0.16 -0.44 -2.65 0.00 0.00 178.83 176.33 1vka h ASP 103 N 0.34 0.68 0.07 -0.69 3.32 -1.96 -1.45 116.42 116.74 1vka h ASP 103 Ca 0.10 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 1vka h ASP 103 Cb 0.15 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1vka h ASP 103 CO -0.01 0.69 -0.52 0.78 -1.72 0.00 0.00 179.24 178.47 1vka h ASN 104 N 0.63 0.54 -0.36 6.45 2.35 -1.21 -2.05 115.58 121.93 1vka h ASN 104 Ca 0.15 -0.28 -0.16 0.00 -0.55 0.00 0.00 56.30 55.47 1vka h ASN 104 Cb 0.25 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1vka h ASN 104 CO -0.01 0.96 -0.38 0.15 -1.65 0.00 0.00 177.43 176.50 1vka h PHE 105 N 0.39 1.08 -0.34 1.19 3.57 -0.40 -1.56 116.94 120.87 1vka h PHE 105 Ca 0.01 -0.33 0.02 0.00 3.53 0.00 0.00 57.97 61.20 1vka h PHE 105 Cb 1.03 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1vka h PHE 105 CO 0.04 1.15 0.19 1.49 -2.23 0.00 0.00 178.31 178.94 1vka h GLU 106 N 0.70 0.37 -0.44 1.11 4.81 -1.17 -1.22 114.58 118.74 1vka h GLU 106 Ca 0.05 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1vka h GLU 106 Cb 0.98 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1vka h GLU 106 CO 0.09 0.24 -0.06 0.35 -0.73 0.00 0.00 179.01 178.91 1vka h PHE 107 N 0.38 0.91 -0.09 0.92 3.04 -1.33 -2.88 116.94 117.89 1vka h PHE 107 Ca 0.14 -0.18 -0.08 0.00 3.98 0.00 0.00 57.97 61.83 1vka h PHE 107 Cb 0.02 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 1vka h PHE 107 CO -0.09 0.90 -0.31 -0.24 -2.02 0.00 0.00 178.31 176.56 1vka h VAL 108 N 0.66 1.26 -0.64 1.41 3.04 -1.08 0.11 116.25 121.00 1vka h VAL 108 Ca 0.12 -1.22 0.01 0.00 -1.01 0.00 0.00 66.70 64.59 1vka h VAL 108 Cb 0.58 1.54 -0.03 0.00 -2.01 0.00 0.00 31.29 31.37 1vka h VAL 108 CO 0.03 0.36 0.42 1.56 -1.01 0.00 0.00 177.57 178.93 1vka h GLN 109 N 0.15 0.84 -0.27 4.17 1.08 -1.09 -0.28 115.11 119.70 1vka h GLN 109 Ca 0.02 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1vka h GLN 109 Cb 0.63 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1vka h GLN 109 CO 0.05 0.56 0.06 2.35 -0.95 0.00 0.00 178.83 180.89 1vka h TRP 110 N 0.86 0.47 -0.80 2.96 7.01 -1.20 -3.00 115.95 122.25 1vka h TRP 110 Ca 0.23 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1vka h TRP 110 Cb -0.09 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.80 1vka h TRP 110 CO -0.03 0.53 0.42 0.35 -2.79 0.00 0.00 178.44 176.92 1vka h PHE 111 N 0.27 1.10 -0.79 2.65 3.57 -0.41 -0.03 116.94 123.30 1vka h PHE 111 Ca 0.08 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1vka h PHE 111 Cb 0.31 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1vka h PHE 111 CO 0.02 0.78 0.31 -0.22 -2.23 0.00 0.00 178.31 176.96 1vka h LYS 112 N 1.12 1.18 -0.60 1.11 1.63 -1.04 0.36 116.57 120.32 1vka h LYS 112 Ca 0.28 -0.21 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1vka h LYS 112 Cb 0.05 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 1vka h LYS 112 CO -0.04 0.95 0.21 0.87 -3.45 0.00 0.00 179.45 177.99 1vka h LYS 113 N 1.15 0.93 -0.26 1.90 1.57 -1.22 0.11 116.57 120.74 1vka h LYS 113 Ca 0.26 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1vka h LYS 113 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1vka h LYS 113 CO -0.02 0.82 0.16 0.35 -0.57 0.00 0.00 179.45 180.19 1vka h PHE 114 N 0.85 0.31 -0.28 -1.35 3.57 -0.60 -1.55 116.94 117.90 1vka h PHE 114 Ca 0.20 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1vka h PHE 114 Cb 0.26 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1vka h PHE 114 CO 0.02 0.19 0.14 0.35 -2.23 0.00 0.00 178.31 176.78 1vka h PHE 115 N 0.33 0.26 -0.15 0.41 3.57 0.00 -2.47 116.94 118.90 1vka h PHE 115 Ca 0.10 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1vka h PHE 115 Cb -0.03 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1vka h PHE 115 CO -0.07 0.15 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.52 1vka h ASP 116 N 0.30 0.25 0.85 0.41 3.32 -0.57 0.72 116.42 121.69 1vka h ASP 116 Ca 0.11 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1vka h ASP 116 Cb 0.03 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1vka h ASP 116 CO -0.08 0.47 -0.05 0.00 -1.72 0.00 0.00 179.24 177.86 1vka h ALA 117 N 1.56 1.03 0.00 3.45 0.00 -0.94 -3.34 119.26 121.02 1vka h ALA 117 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vka h ALA 117 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1vka h ALA 117 CO 0.03 0.06 -0.88 0.09 0.00 0.00 0.00 179.25 178.56 1vka n ASN 118 N -3.19 2.66 -4.71 0.00 3.02 -0.53 -4.83 115.26 107.67 1vka n ASN 118 Ca -0.00 -0.21 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 1vka n ASN 118 Cb 0.30 1.14 -0.03 0.00 -0.61 0.00 0.00 39.78 40.58 1vka n ASN 118 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1vka s TYR 119 N -2.03 3.31 -2.76 3.10 6.04 0.13 -4.92 117.35 120.22 1vka s TYR 119 Ca -0.01 1.13 0.24 0.00 0.04 0.00 0.00 57.07 58.48 1vka s TYR 119 Cb 0.03 -3.54 0.42 0.00 -1.04 0.00 0.00 41.96 37.83 1vka s TYR 119 CO 0.20 -1.78 1.39 -0.40 -1.54 0.00 0.00 175.55 173.41 1vka n ASP 120 N 4.10 2.77 0.00 4.32 3.85 -1.26 -4.96 116.55 125.37 1vka n ASP 120 Ca 0.10 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.28 1vka n ASP 120 Cb 0.45 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 1vka n ASP 120 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vka n GLY 121 N 1.34 0.74 3.72 6.12 0.00 -1.26 -5.03 105.19 110.83 1vka n GLY 121 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1vka n GLY 121 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vka n LYS 122 N -2.34 1.73 -2.24 1.61 2.85 -1.26 -4.95 118.16 113.56 1vka n LYS 122 Ca 0.00 0.63 -0.37 0.00 -1.05 0.00 0.00 58.31 57.52 1vka n LYS 122 Cb 0.00 -2.50 -0.01 0.00 -0.65 0.00 0.00 35.03 31.87 1vka n LYS 122 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1vka s ASP 123 N -0.81 6.23 -0.15 -5.58 1.11 -1.26 -5.02 116.67 111.17 1vka s ASP 123 Ca 0.69 2.35 -0.08 0.00 0.18 0.00 0.00 52.55 55.69 1vka s ASP 123 Cb -0.44 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.00 1vka s ASP 123 CO 0.52 -0.88 0.36 -0.47 1.18 0.00 0.00 175.17 175.88 1vka s TYR 124 N -1.49 -0.54 -0.47 4.23 5.04 -1.26 -5.10 117.35 117.75 1vka s TYR 124 Ca 0.62 1.17 -0.09 0.00 -2.44 0.00 0.00 57.07 56.33 1vka s TYR 124 Cb -0.30 0.20 0.12 0.00 0.35 0.00 0.00 41.96 42.33 1vka s TYR 124 CO 0.37 -0.33 0.34 0.34 -1.34 0.00 0.00 175.55 174.93 1vka s ASP 125 N 1.54 5.67 0.49 4.32 2.15 -1.26 -4.96 116.67 124.63 1vka s ASP 125 Ca -0.08 -1.94 0.28 0.00 0.43 0.00 0.00 52.55 51.24 1vka s ASP 125 Cb -0.09 -2.00 1.07 0.00 -0.30 0.00 0.00 42.92 41.60 1vka s ASP 125 CO -0.11 -0.68 1.88 1.55 -0.17 0.00 0.00 175.17 177.63 1vka h PRO 126 N 8.40 0.00 0.01 4.34 0.13 -1.87 -0.72 132.00 142.30 1vka h PRO 126 Ca -0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1vka h PRO 126 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1vka h PRO 126 CO 0.85 0.12 -0.00 0.28 -0.23 0.00 0.00 178.00 179.01 1vka h VAL 127 N 0.00 1.57 -1.00 1.56 2.07 -1.93 -2.88 116.25 115.64 1vka h VAL 127 Ca -0.00 -1.81 0.09 0.00 0.82 0.00 0.00 66.70 65.80 1vka h VAL 127 Cb 0.66 2.79 -0.08 0.00 -1.52 0.00 0.00 31.29 33.14 1vka h VAL 127 CO 0.02 0.46 0.64 0.00 0.02 0.00 0.00 177.57 178.71 1vka h ALA 128 N 0.16 1.47 -0.71 1.67 0.00 -1.95 -2.04 119.26 117.86 1vka h ALA 128 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vka h ALA 128 Cb 0.77 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1vka h ALA 128 CO 0.00 0.33 0.46 0.00 0.00 0.00 0.00 179.25 180.04 1vka h ALA 129 N 1.50 0.90 0.00 0.00 0.00 -1.21 -3.51 119.26 116.94 1vka h ALA 129 Ca 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1vka h ALA 129 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vka h ALA 129 CO -0.22 0.34 0.00 0.54 0.00 0.00 0.00 179.25 179.91