#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vm0 h LYS 20 N 0.00 0.06 -0.23 1.64 1.57 -2.03 -2.36 116.57 115.21 1vm0 h LYS 20 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vm0 h LYS 20 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1vm0 h LYS 20 CO 0.00 0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.19 1vm0 n ASN 21 N -4.53 3.52 -4.72 0.86 6.94 -1.26 -4.94 115.26 111.12 1vm0 n ASN 21 Ca -0.02 -2.87 -0.35 0.00 -0.02 0.00 0.00 54.58 51.31 1vm0 n ASN 21 Cb 0.09 -0.48 -0.08 0.00 -2.36 0.00 0.00 39.78 36.95 1vm0 n ASN 21 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1vm0 s ARG 22 N -2.56 4.07 -0.24 -3.83 3.52 -0.89 -1.09 118.95 117.94 1vm0 s ARG 22 Ca 0.37 -0.24 -0.03 0.00 -0.13 0.00 0.00 55.73 55.70 1vm0 s ARG 22 Cb 0.30 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1vm0 s ARG 22 CO 0.09 0.34 -0.04 0.42 -0.81 0.00 0.00 175.30 175.29 1vm0 s ILE 23 N 0.24 3.23 -0.24 4.11 1.01 0.85 -4.92 121.20 125.46 1vm0 s ILE 23 Ca 0.08 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 1vm0 s ILE 23 Cb -0.11 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 1vm0 s ILE 23 CO -0.01 0.32 0.19 -1.58 0.00 0.00 0.00 174.94 173.86 1vm0 s GLN 24 N 1.43 4.06 -0.49 2.79 -0.44 -1.26 -0.74 119.66 125.01 1vm0 s GLN 24 Ca 0.04 -0.23 -0.18 0.00 -2.50 0.00 0.00 55.36 52.49 1vm0 s GLN 24 Cb -0.15 -3.55 0.06 0.00 -1.64 0.00 0.00 33.01 27.72 1vm0 s GLN 24 CO -0.04 0.02 0.53 0.08 0.50 0.00 0.00 175.29 176.38 1vm0 s VAL 25 N 1.18 5.02 0.00 1.34 1.01 -0.14 -4.80 120.40 124.01 1vm0 s VAL 25 Ca 0.09 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1vm0 s VAL 25 Cb -0.14 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1vm0 s VAL 25 CO 0.06 -0.69 0.18 -1.54 0.00 0.00 0.00 175.10 173.10 1vm0 n SER 26 N 5.78 0.00 -4.35 3.32 3.41 -1.26 -4.55 113.62 115.97 1vm0 n SER 26 Ca -0.09 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.12 1vm0 n SER 26 Cb 0.45 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 1vm0 n SER 26 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1vm0 s ASN 27 N 0.00 5.73 0.20 4.04 3.84 -1.26 -4.96 114.94 122.53 1vm0 s ASN 27 Ca 0.00 -1.14 0.23 0.00 0.21 0.00 0.00 52.86 52.16 1vm0 s ASN 27 Cb 0.00 -2.02 0.91 0.00 -0.55 0.00 0.00 41.25 39.59 1vm0 s ASN 27 CO 0.00 -0.44 1.69 0.35 -2.79 0.00 0.00 177.10 175.91 1vm0 n THR 28 N 4.99 0.79 0.48 -5.21 -2.24 -1.26 -2.38 114.28 109.45 1vm0 n THR 28 Ca -0.11 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1vm0 n THR 28 Cb 0.45 -1.02 0.28 0.00 -2.10 0.00 0.00 70.33 67.94 1vm0 n THR 28 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1vm0 h LYS 29 N 0.00 0.00 -6.83 -0.78 1.57 -2.06 -3.47 116.57 105.01 1vm0 h LYS 29 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1vm0 h LYS 29 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1vm0 h LYS 29 CO 0.00 0.00 0.40 0.15 -0.57 0.00 0.00 179.45 179.43 1vm0 s LYS 30 N -3.15 4.62 0.50 3.15 -0.14 -1.00 -5.04 119.74 118.67 1vm0 s LYS 30 Ca 0.08 1.58 -0.20 0.00 -1.36 0.00 0.00 55.97 56.07 1vm0 s LYS 30 Cb 0.10 -3.04 -0.08 0.00 -1.68 0.00 0.00 37.83 33.13 1vm0 s LYS 30 CO 0.65 0.26 1.07 -2.14 -0.76 0.00 0.00 175.35 174.43 1vm0 s PRO 31 N -1.64 3.67 0.24 -1.68 0.02 -1.26 -4.93 135.00 129.42 1vm0 s PRO 31 Ca 0.47 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 62.85 1vm0 s PRO 31 Cb -0.26 -2.09 0.39 0.00 0.02 0.00 0.00 34.50 32.56 1vm0 s PRO 31 CO 0.33 -0.56 1.63 1.25 -0.33 0.00 0.00 177.00 179.32 1vm0 h LEU 32 N 1.49 -0.45 -1.75 -5.54 5.85 -1.98 -1.61 115.31 111.31 1vm0 h LEU 32 Ca -0.50 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1vm0 h LEU 32 Cb 1.23 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1vm0 h LEU 32 CO 0.58 -0.20 0.00 -0.26 -0.34 0.00 0.00 178.44 178.22 1vm0 h PHE 33 N 0.07 0.00 -0.12 1.25 -1.00 -1.99 -0.40 116.94 114.75 1vm0 h PHE 33 Ca 0.39 0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.20 1vm0 h PHE 33 Cb 0.66 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 1vm0 h PHE 33 CO -0.47 0.00 -0.09 0.35 -1.61 0.00 0.00 178.31 176.49 1vm0 h PHE 34 N 0.00 -0.22 -0.10 -0.55 3.57 -1.66 -0.20 116.94 117.78 1vm0 h PHE 34 Ca 0.00 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 1vm0 h PHE 34 Cb 0.17 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1vm0 h PHE 34 CO 0.00 -0.14 -0.71 1.88 -2.23 0.00 0.00 178.31 177.11 1vm0 h TYR 35 N -0.10 0.63 0.01 0.41 0.05 -1.21 -0.81 116.97 115.96 1vm0 h TYR 35 Ca 0.08 -0.27 -0.00 0.00 0.05 0.00 0.00 58.73 58.58 1vm0 h TYR 35 Cb 0.22 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1vm0 h TYR 35 CO -0.21 1.03 -0.00 0.28 -1.05 0.00 0.00 178.16 178.20 1vm0 h VAL 36 N 0.33 1.17 -0.59 -2.88 2.07 -1.26 -1.20 116.25 113.89 1vm0 h VAL 36 Ca -0.03 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1vm0 h VAL 36 Cb 1.29 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1vm0 h VAL 36 CO 0.13 0.14 0.21 0.78 0.02 0.00 0.00 177.57 178.85 1vm0 h ASN 37 N -0.25 0.80 -0.60 0.57 2.35 -1.06 -2.06 115.58 115.33 1vm0 h ASN 37 Ca -0.00 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 1vm0 h ASN 37 Cb 0.24 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1vm0 h ASN 37 CO 0.00 0.74 -0.01 0.25 -1.65 0.00 0.00 177.43 176.76 1vm0 h LEU 38 N 0.86 1.04 -1.03 1.61 5.85 -1.04 -0.59 115.31 122.01 1vm0 h LEU 38 Ca 0.20 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1vm0 h LEU 38 Cb 0.20 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1vm0 h LEU 38 CO -0.01 1.10 0.40 0.00 -0.34 0.00 0.00 178.44 179.58 1vm0 h ALA 39 N 1.01 1.25 -0.37 1.25 0.00 -0.97 -0.64 119.26 120.79 1vm0 h ALA 39 Ca 0.17 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1vm0 h ALA 39 Cb 0.56 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1vm0 h ALA 39 CO 0.03 0.59 -0.22 0.87 0.00 0.00 0.00 179.25 180.52 1vm0 h LYS 40 N 1.09 0.81 -0.74 0.00 1.57 -0.85 -3.06 116.57 115.39 1vm0 h LYS 40 Ca 0.27 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1vm0 h LYS 40 Cb 0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1vm0 h LYS 40 CO -0.04 1.00 0.27 0.00 -0.57 0.00 0.00 179.45 180.11 1vm0 h ARG 41 N 0.60 1.12 -1.71 3.15 2.47 -0.76 -1.74 114.38 117.51 1vm0 h ARG 41 Ca 0.08 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1vm0 h ARG 41 Cb 0.78 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1vm0 h ARG 41 CO 0.06 0.93 0.00 0.66 0.56 0.00 0.00 179.97 182.19 1vm0 n TYR 42 N -4.31 0.00 0.00 3.04 4.02 -0.28 -2.65 117.16 116.99 1vm0 n TYR 42 Ca 0.06 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1vm0 n TYR 42 Cb 0.20 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1vm0 n TYR 42 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1vm0 n GLN 44 N 0.87 0.00 -0.07 -0.72 6.02 -0.66 -0.78 117.38 122.05 1vm0 n GLN 44 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1vm0 n GLN 44 Cb 0.10 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.22 1vm0 n GLN 44 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1vm0 n GLN 45 N 0.00 0.68 -0.00 -1.09 6.02 -1.08 -4.65 117.38 117.25 1vm0 n GLN 45 Ca 0.00 0.15 0.03 0.00 -0.01 0.00 0.00 57.00 57.17 1vm0 n GLN 45 Cb 0.00 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 29.59 1vm0 n GLN 45 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1vm0 n TYR 46 N -3.04 0.00 0.00 1.08 4.02 0.04 -4.99 117.16 114.27 1vm0 n TYR 46 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 1vm0 n TYR 46 Cb 1.08 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 1vm0 n TYR 46 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1vm0 n ASN 47 N -1.32 0.00 -4.33 7.72 3.02 -1.25 -4.90 115.26 114.19 1vm0 n ASN 47 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 1vm0 n ASN 47 Cb 0.11 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 1vm0 n ASN 47 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1vm0 s ASP 48 N 0.00 2.04 -0.12 6.41 3.84 -1.26 -1.99 116.67 125.59 1vm0 s ASP 48 Ca 0.00 -1.15 -0.10 0.00 -0.00 0.00 0.00 52.55 51.30 1vm0 s ASP 48 Cb 0.00 -0.04 0.03 0.00 -1.38 0.00 0.00 42.92 41.54 1vm0 s ASP 48 CO 0.00 -0.41 0.32 0.54 -0.00 0.00 0.00 175.17 175.62 1vm0 s VAL 49 N -3.29 -0.01 -0.17 2.11 0.11 0.01 -4.92 120.40 114.24 1vm0 s VAL 49 Ca 0.25 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.27 1vm0 s VAL 49 Cb 0.04 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1vm0 s VAL 49 CO 0.07 0.01 -0.01 -1.61 -3.33 0.00 0.00 175.10 170.23 1vm0 s GLU 50 N 0.35 3.74 -0.14 1.54 2.02 -0.25 -0.58 118.70 125.38 1vm0 s GLU 50 Ca -0.01 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 1vm0 s GLU 50 Cb -0.03 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 1vm0 s GLU 50 CO -0.01 0.21 -0.10 -0.51 0.02 0.00 0.00 175.26 174.87 1vm0 s LEU 51 N 0.47 2.87 0.05 1.80 1.43 0.28 -0.11 118.68 125.46 1vm0 s LEU 51 Ca -0.01 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1vm0 s LEU 51 Cb -0.14 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1vm0 s LEU 51 CO 0.02 0.15 -0.09 -0.94 0.23 0.00 0.00 176.35 175.72 1vm0 s SER 52 N 0.44 1.07 0.18 2.29 1.04 0.08 -0.39 113.70 118.41 1vm0 s SER 52 Ca -0.08 -0.54 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 1vm0 s SER 52 Cb -0.15 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.03 1vm0 s SER 52 CO 0.04 -0.15 0.60 0.00 0.98 0.00 0.00 173.24 174.71 1vm0 s ALA 53 N -1.29 -1.42 0.04 5.32 0.00 -0.90 -0.97 121.76 122.56 1vm0 s ALA 53 Ca -0.07 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1vm0 s ALA 53 Cb -0.10 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1vm0 s ALA 53 CO 0.01 -0.81 -0.00 -0.51 0.00 0.00 0.00 175.76 174.45 1vm0 s LEU 54 N -2.79 3.48 0.00 0.00 1.43 -1.26 -1.37 118.68 118.16 1vm0 s LEU 54 Ca 0.04 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1vm0 s LEU 54 Cb -0.02 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1vm0 s LEU 54 CO -0.09 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1vm0 n GLY 55 N 0.98 0.00 1.77 -3.19 0.00 -0.35 -3.64 105.19 100.76 1vm0 n GLY 55 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1vm0 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vm0 n ALA 57 N 0.00 0.00 -0.36 4.61 0.00 -1.26 -4.41 120.51 119.09 1vm0 n ALA 57 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vm0 n ALA 57 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1vm0 n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1vm0 h ILE 58 N 0.00 1.21 -1.00 0.00 2.04 -1.84 -1.08 117.51 116.84 1vm0 h ILE 58 Ca 0.00 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.54 1vm0 h ILE 58 Cb 0.00 -0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 35.81 1vm0 h ILE 58 CO 0.00 0.23 0.63 0.00 0.00 0.00 0.00 178.15 179.01 1vm0 h ALA 59 N 1.41 1.55 -0.28 1.87 0.00 -1.93 -0.21 119.26 121.67 1vm0 h ALA 59 Ca 0.38 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1vm0 h ALA 59 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1vm0 h ALA 59 CO -0.10 0.20 -0.09 1.15 0.00 0.00 0.00 179.25 180.41 1vm0 h THR 60 N 0.97 1.29 -0.64 0.00 2.02 -1.60 -1.60 112.91 113.35 1vm0 h THR 60 Ca 0.50 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1vm0 h THR 60 Cb 0.52 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1vm0 h THR 60 CO -0.26 0.36 0.41 0.58 0.37 0.00 0.00 175.52 176.98 1vm0 h VAL 61 N 0.31 1.12 -0.30 3.16 2.07 -0.98 0.43 116.25 122.06 1vm0 h VAL 61 Ca 0.07 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1vm0 h VAL 61 Cb 0.58 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1vm0 h VAL 61 CO 0.03 0.15 0.13 0.58 0.02 0.00 0.00 177.57 178.48 1vm0 h VAL 62 N 0.83 0.96 -0.31 2.57 2.07 -0.92 -1.66 116.25 119.79 1vm0 h VAL 62 Ca 0.25 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1vm0 h VAL 62 Cb -0.04 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1vm0 h VAL 62 CO -0.08 0.05 0.09 0.74 0.02 0.00 0.00 177.57 178.39 1vm0 h THR 63 N 0.28 1.21 -0.47 2.57 2.02 -0.97 -0.57 112.91 116.97 1vm0 h THR 63 Ca 0.13 -0.68 0.09 0.00 0.77 0.00 0.00 66.41 66.72 1vm0 h THR 63 Cb 0.06 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1vm0 h THR 63 CO -0.10 0.23 0.03 0.58 0.37 0.00 0.00 175.52 176.62 1vm0 h VAL 64 N 0.34 0.66 -0.03 3.16 2.07 -0.77 -1.25 116.25 120.44 1vm0 h VAL 64 Ca 0.10 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1vm0 h VAL 64 Cb 0.26 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1vm0 h VAL 64 CO -0.00 0.03 0.02 0.74 0.02 0.00 0.00 177.57 178.37 1vm0 h THR 65 N 0.14 1.02 -0.52 2.57 2.02 -1.02 -1.08 112.91 116.04 1vm0 h THR 65 Ca 0.24 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.45 1vm0 h THR 65 Cb 0.34 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 1vm0 h THR 65 CO -0.37 0.01 0.17 -0.33 0.37 0.00 0.00 175.52 175.37 1vm0 h GLU 66 N 0.03 0.33 -0.31 6.66 5.08 -0.87 -0.15 114.58 125.34 1vm0 h GLU 66 Ca 0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1vm0 h GLU 66 Cb 0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1vm0 h GLU 66 CO -0.00 0.22 0.18 0.82 -1.00 0.00 0.00 179.01 179.22 1vm0 h ILE 67 N 0.34 1.02 -0.03 3.13 2.04 -1.02 0.28 117.51 123.26 1vm0 h ILE 67 Ca 0.25 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.88 1vm0 h ILE 67 Cb 0.30 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1vm0 h ILE 67 CO -0.28 0.07 -0.47 -0.07 0.00 0.00 0.00 178.15 177.40 1vm0 h LEU 68 N 0.36 0.08 0.24 1.44 3.38 -0.82 -1.08 115.31 118.93 1vm0 h LEU 68 Ca 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1vm0 h LEU 68 Cb 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1vm0 h LEU 68 CO -0.07 0.55 -0.12 0.11 0.09 0.00 0.00 178.44 179.00 1vm0 h LYS 69 N 0.06 -0.32 -0.21 1.13 1.79 -0.78 -0.97 116.57 117.27 1vm0 h LYS 69 Ca 0.00 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1vm0 h LYS 69 Cb 0.87 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1vm0 h LYS 69 CO 0.07 -0.05 0.15 -0.91 -1.08 0.00 0.00 179.45 177.63 1vm0 h ASN 70 N -1.02 0.00 -0.59 0.86 2.35 -0.41 -2.31 115.58 114.46 1vm0 h ASN 70 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1vm0 h ASN 70 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1vm0 h ASN 70 CO 0.06 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.43 1vm0 n ASN 71 N -4.47 3.43 0.00 5.81 3.02 -0.41 -4.96 115.26 117.67 1vm0 n ASN 71 Ca 0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1vm0 n ASN 71 Cb 0.30 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1vm0 n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vm0 n GLY 72 N 1.52 0.55 0.09 7.41 0.00 -0.87 -4.96 105.19 108.92 1vm0 n GLY 72 Ca 0.21 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1vm0 n GLY 72 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1vm0 h PHE 73 N 0.00 0.19 -4.06 1.61 0.04 -1.43 -3.39 116.94 109.90 1vm0 h PHE 73 Ca 0.00 -0.14 -0.17 0.00 2.80 0.00 0.00 57.97 60.47 1vm0 h PHE 73 Cb 0.00 -0.01 -0.17 0.00 2.20 0.00 0.00 35.95 37.97 1vm0 h PHE 73 CO 0.00 1.16 -0.69 0.00 -0.60 0.00 0.00 178.31 178.18 1vm0 s ALA 74 N -2.64 0.52 -0.03 2.45 0.00 -0.88 -1.47 121.76 119.71 1vm0 s ALA 74 Ca -0.05 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1vm0 s ALA 74 Cb 0.08 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1vm0 s ALA 74 CO 0.83 -0.26 -0.18 0.08 0.00 0.00 0.00 175.76 176.23 1vm0 s VAL 75 N -3.02 1.50 0.37 0.00 1.01 -0.02 -4.46 120.40 115.78 1vm0 s VAL 75 Ca 0.01 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 1vm0 s VAL 75 Cb 0.01 -1.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 1vm0 s VAL 75 CO -0.06 0.43 1.03 -1.83 0.00 0.00 0.00 175.10 174.67 1vm0 s GLU 76 N -0.19 4.30 -0.06 2.72 1.03 -1.26 -0.86 118.70 124.38 1vm0 s GLU 76 Ca 0.01 1.49 0.05 0.00 0.03 0.00 0.00 54.97 56.55 1vm0 s GLU 76 Cb -0.10 -2.65 -0.07 0.00 -0.80 0.00 0.00 34.13 30.51 1vm0 s GLU 76 CO 0.01 -0.02 0.01 1.17 -1.33 0.00 0.00 175.26 175.11 1vm0 n LYS 77 N 0.16 2.78 -3.64 -4.83 4.81 0.30 -4.88 118.16 112.86 1vm0 n LYS 77 Ca 0.04 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.40 1vm0 n LYS 77 Cb 0.49 -1.15 -0.07 0.00 0.02 0.00 0.00 35.03 34.32 1vm0 n LYS 77 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1vm0 s LYS 78 N -2.14 0.72 0.19 1.64 2.20 -1.13 -4.97 119.74 116.24 1vm0 s LYS 78 Ca -0.04 1.16 0.02 0.00 -0.36 0.00 0.00 55.97 56.75 1vm0 s LYS 78 Cb 0.02 0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.48 1vm0 s LYS 78 CO 0.24 -0.14 0.01 0.42 -0.36 0.00 0.00 175.35 175.52 1vm0 s ILE 79 N 1.38 0.72 0.00 5.43 1.01 -1.26 0.07 121.20 128.56 1vm0 s ILE 79 Ca -0.08 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 58.58 1vm0 s ILE 79 Cb -0.05 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.19 1vm0 s ILE 79 CO -0.16 -0.38 0.00 0.41 0.00 0.00 0.00 174.94 174.81 1vm0 n THR 81 N -0.30 0.00 -3.86 2.92 -1.04 -1.26 -4.98 114.28 105.75 1vm0 n THR 81 Ca -0.05 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.86 1vm0 n THR 81 Cb 0.64 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.10 1vm0 n THR 81 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1vm0 s SER 82 N 0.00 -0.13 -0.19 8.00 1.04 -0.29 -4.99 113.70 117.14 1vm0 s SER 82 Ca 0.00 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.62 1vm0 s SER 82 Cb 0.00 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1vm0 s SER 82 CO 0.00 -1.02 0.24 -0.63 0.98 0.00 0.00 173.24 172.81 1vm0 s ILE 83 N -3.93 5.33 0.19 -1.02 -1.09 -1.26 -0.30 121.20 119.12 1vm0 s ILE 83 Ca 0.14 0.41 0.11 0.00 -2.23 0.00 0.00 60.65 59.08 1vm0 s ILE 83 Cb 0.00 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1vm0 s ILE 83 CO 0.00 0.38 -0.20 0.68 -1.23 0.00 0.00 174.94 174.56 1vm0 s VAL 84 N 0.66 2.57 -0.03 2.92 -7.23 0.25 -4.95 120.40 114.59 1vm0 s VAL 84 Ca 0.13 -1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.16 1vm0 s VAL 84 Cb -0.13 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1vm0 s VAL 84 CO 0.03 -0.11 0.62 -1.81 -0.31 0.00 0.00 175.10 173.52 1vm0 s ASP 85 N -2.70 6.96 -0.17 4.85 1.01 -1.26 -1.09 116.67 124.27 1vm0 s ASP 85 Ca 0.22 1.15 -0.00 0.00 0.71 0.00 0.00 52.55 54.62 1vm0 s ASP 85 Cb -0.08 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1vm0 s ASP 85 CO 0.11 0.03 -0.14 -0.63 0.21 0.00 0.00 175.17 174.75 1vm0 s ILE 86 N 0.14 2.69 -0.64 0.77 -1.09 0.66 -4.97 121.20 118.77 1vm0 s ILE 86 Ca 0.33 -0.75 -0.28 0.00 -2.23 0.00 0.00 60.65 57.72 1vm0 s ILE 86 Cb -0.18 -2.16 -0.12 0.00 -1.58 0.00 0.00 42.46 38.43 1vm0 s ILE 86 CO 0.17 0.50 2.50 1.17 -1.23 0.00 0.00 174.94 178.05 1vm0 n LYS 87 N 4.32 0.73 -3.78 2.79 4.81 -1.26 -1.31 118.16 124.44 1vm0 n LYS 87 Ca -0.19 0.01 -0.09 0.00 -0.87 0.00 0.00 58.31 57.17 1vm0 n LYS 87 Cb 0.51 -2.79 -0.06 0.00 0.02 0.00 0.00 35.03 32.70 1vm0 n LYS 87 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1vm0 s PRO 94 N 8.40 0.90 0.09 1.64 0.04 -1.26 -5.17 135.00 139.65 1vm0 s PRO 94 Ca 1.11 -0.85 -0.02 0.00 0.04 0.00 0.00 61.00 61.28 1vm0 s PRO 94 Cb -0.55 0.38 -0.05 0.00 0.04 0.00 0.00 34.50 34.33 1vm0 s PRO 94 CO 0.34 -0.31 0.27 0.14 0.04 0.00 0.00 177.00 177.49 1vm0 s VAL 95 N -3.74 5.31 -0.13 -0.36 -7.23 -0.43 -5.07 120.40 108.75 1vm0 s VAL 95 Ca 0.04 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 59.92 1vm0 s VAL 95 Cb 0.04 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1vm0 s VAL 95 CO -0.11 0.11 0.07 -1.10 -0.31 0.00 0.00 175.10 173.76 1vm0 s GLN 96 N -2.55 3.44 0.02 4.82 -0.21 -1.26 -0.24 119.66 123.67 1vm0 s GLN 96 Ca 0.37 -0.28 0.01 0.00 0.02 0.00 0.00 55.36 55.48 1vm0 s GLN 96 Cb -0.13 -3.07 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 1vm0 s GLN 96 CO 0.27 0.61 -0.04 0.15 -2.12 0.00 0.00 175.29 174.16 1vm0 s LYS 97 N -0.58 0.32 0.36 2.91 -0.14 -0.25 -4.97 119.74 117.39 1vm0 s LYS 97 Ca 0.11 -0.40 -0.26 0.00 -1.36 0.00 0.00 55.97 54.05 1vm0 s LYS 97 Cb -0.12 -0.15 -0.09 0.00 -1.68 0.00 0.00 37.83 35.79 1vm0 s LYS 97 CO 0.02 0.03 1.13 0.00 -0.76 0.00 0.00 175.35 175.77 1vm0 s ALA 98 N -0.77 3.24 -0.02 5.17 0.00 -1.26 -0.58 121.76 127.53 1vm0 s ALA 98 Ca -0.06 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1vm0 s ALA 98 Cb -0.06 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1vm0 s ALA 98 CO -0.00 -0.36 -0.02 0.21 0.00 0.00 0.00 175.76 175.59 1vm0 s LYS 99 N -2.05 0.35 0.02 0.00 2.20 0.59 -1.21 119.74 119.63 1vm0 s LYS 99 Ca 0.53 -0.04 0.04 0.00 -0.36 0.00 0.00 55.97 56.13 1vm0 s LYS 99 Cb -0.30 -0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 35.57 1vm0 s LYS 99 CO 0.38 -0.02 -0.07 -1.50 -0.36 0.00 0.00 175.35 173.77 1vm0 s ILE 100 N 0.46 3.60 -0.14 5.43 2.07 -0.47 -1.14 121.20 131.01 1vm0 s ILE 100 Ca -0.05 -0.85 -0.03 0.00 -1.41 0.00 0.00 60.65 58.32 1vm0 s ILE 100 Cb -0.08 -2.58 0.05 0.00 0.13 0.00 0.00 42.46 39.98 1vm0 s ILE 100 CO -0.01 0.36 0.04 -1.61 -1.91 0.00 0.00 174.94 171.81 1vm0 s GLU 101 N -1.52 0.42 -0.12 3.50 2.02 -1.26 -2.11 118.70 119.63 1vm0 s GLU 101 Ca 0.18 -0.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.04 1vm0 s GLU 101 Cb -0.11 -1.60 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 1vm0 s GLU 101 CO 0.08 -0.53 -0.11 0.42 0.02 0.00 0.00 175.26 175.14 1vm0 s ILE 102 N 1.99 3.27 -0.16 -1.63 1.01 0.48 -4.15 121.20 122.00 1vm0 s ILE 102 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 1vm0 s ILE 102 Cb -0.15 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1vm0 s ILE 102 CO -0.07 0.53 -0.07 -0.89 0.00 0.00 0.00 174.94 174.44 1vm0 s THR 103 N 0.15 3.45 0.08 2.92 2.01 0.11 -0.56 115.64 123.80 1vm0 s THR 103 Ca -0.06 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.52 1vm0 s THR 103 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1vm0 s THR 103 CO 0.04 0.48 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.54 1vm0 s LEU 104 N 0.67 2.78 0.18 4.42 1.43 0.26 -0.54 118.68 127.88 1vm0 s LEU 104 Ca -0.04 -0.45 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1vm0 s LEU 104 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1vm0 s LEU 104 CO 0.02 0.21 -0.18 0.68 0.23 0.00 0.00 176.35 177.32 1vm0 s VAL 105 N -1.08 1.86 0.31 -1.59 -7.23 -0.04 -0.81 120.40 111.82 1vm0 s VAL 105 Ca 0.18 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 1vm0 s VAL 105 Cb -0.11 -1.93 -0.12 0.00 0.56 0.00 0.00 36.38 34.78 1vm0 s VAL 105 CO 0.09 -0.39 1.45 0.29 -0.31 0.00 0.00 175.10 176.23 1vm0 n LYS 106 N 0.06 2.39 -1.97 4.82 5.02 -0.84 -0.84 118.16 126.80 1vm0 n LYS 106 Ca -0.11 0.85 -0.28 0.00 -2.02 0.00 0.00 58.31 56.74 1vm0 n LYS 106 Cb 0.58 -2.53 0.08 0.00 -0.02 0.00 0.00 35.03 33.14 1vm0 n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vm0 s SER 107 N 0.08 4.64 0.62 4.39 1.04 -0.54 -4.62 113.70 119.31 1vm0 s SER 107 Ca 0.60 0.73 0.40 0.00 0.48 0.00 0.00 55.95 58.16 1vm0 s SER 107 Cb -0.54 -1.28 2.03 0.00 0.10 0.00 0.00 66.02 66.33 1vm0 s SER 107 CO 0.56 -1.80 2.23 1.05 0.98 0.00 0.00 173.24 176.26 1vm0 h GLU 108 N -0.92 0.00 -0.01 4.02 9.09 -1.89 -2.60 114.58 122.27 1vm0 h GLU 108 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1vm0 h GLU 108 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1vm0 h GLU 108 CO 0.65 0.00 -0.41 1.63 0.05 0.00 0.00 179.01 180.93 1vm0 n LYS 109 N -3.11 1.04 0.03 1.06 5.02 -1.26 -4.67 118.16 116.27 1vm0 n LYS 109 Ca -0.02 -0.78 -0.10 0.00 -2.02 0.00 0.00 58.31 55.39 1vm0 n LYS 109 Cb 0.16 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1vm0 n LYS 109 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1vm0 h PHE 110 N 1.91 -0.34 -0.61 2.13 3.57 -1.65 -1.01 116.94 120.93 1vm0 h PHE 110 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1vm0 h PHE 110 Cb 0.66 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1vm0 h PHE 110 CO 0.00 -0.20 0.38 -0.44 -2.23 0.00 0.00 178.31 175.83 1vm0 h ASP 111 N -0.20 0.72 0.02 0.41 3.32 -1.83 -2.37 116.42 116.50 1vm0 h ASP 111 Ca 0.06 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1vm0 h ASP 111 Cb 0.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1vm0 h ASP 111 CO -0.17 0.55 -0.29 1.05 -1.72 0.00 0.00 179.24 178.67 1vm0 h GLU 112 N 0.83 0.41 -1.04 3.56 4.11 -1.79 -1.57 114.58 119.09 1vm0 h GLU 112 Ca 0.22 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1vm0 h GLU 112 Cb -0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1vm0 h GLU 112 CO -0.04 0.67 0.00 1.28 0.07 0.00 0.00 179.01 180.98 1vm0 n LEU 113 N -4.10 0.68 0.00 3.06 4.77 -0.42 -1.76 117.00 119.23 1vm0 n LEU 113 Ca -0.01 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1vm0 n LEU 113 Cb 0.42 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1vm0 n LEU 113 CO 0.42 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.60 1vm0 n ALA 115 N 0.60 0.00 0.21 -1.18 0.00 -0.59 -2.05 120.51 117.49 1vm0 n ALA 115 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1vm0 n ALA 115 Cb 0.13 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.98 1vm0 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vm0 h ALA 116 N 0.00 1.02 0.00 0.00 0.00 -1.61 -3.55 119.26 115.12 1vm0 h ALA 116 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1vm0 h ALA 116 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vm0 h ALA 116 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.61