#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvy s VAL 9 N 0.00 0.08 0.06 1.59 1.01 -1.26 -5.11 120.40 116.76 2vvy s VAL 9 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 61.98 60.98 2vvy s VAL 9 Cb 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 36.38 35.76 2vvy s VAL 9 CO 0.00 -0.34 1.24 0.33 0.00 0.00 0.00 175.10 176.33 2vvy n PHE 10 N 1.54 1.20 -3.97 5.22 7.35 -1.26 -4.94 117.46 122.59 2vvy n PHE 10 Ca -0.22 0.79 -0.33 0.00 -0.76 0.00 0.00 57.45 56.93 2vvy n PHE 10 Cb 0.56 -2.25 -0.14 0.00 0.35 0.00 0.00 39.48 38.00 2vvy n PHE 10 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2vvy s SER 11 N 0.30 4.78 0.47 -2.13 0.15 -1.26 -4.96 113.70 111.05 2vvy s SER 11 Ca 0.86 -1.74 -0.24 0.00 0.70 0.00 0.00 55.95 55.54 2vvy s SER 11 Cb -1.06 -1.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.51 2vvy s SER 11 CO 0.50 -0.33 1.27 -2.65 1.20 0.00 0.00 173.24 173.24 2vvy n PRO 12 N 4.43 1.80 -0.16 5.44 -0.02 -1.26 -4.88 135.00 140.35 2vvy n PRO 12 Ca -0.06 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.13 2vvy n PRO 12 Cb 0.42 -2.42 0.36 0.00 -0.02 0.00 0.00 33.50 31.85 2vvy n PRO 12 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2vvy h GLN 13 N 1.81 0.71 -0.56 -0.52 -0.00 -1.98 -2.58 115.11 112.00 2vvy h GLN 13 Ca -0.49 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 2vvy h GLN 13 Cb 1.30 -0.16 0.00 0.00 -0.00 0.00 0.00 27.48 28.62 2vvy h GLN 13 CO 0.58 0.47 0.00 0.72 -0.00 0.00 0.00 178.83 180.61 2vvy n HIS 14 N -4.48 1.09 -0.25 0.06 8.25 -1.26 -4.64 115.22 113.99 2vvy n HIS 14 Ca 0.10 -0.59 -0.05 0.00 -0.26 0.00 0.00 57.72 56.92 2vvy n HIS 14 Cb 0.21 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.18 2vvy n HIS 14 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vvy h GLY 16 N -0.13 0.00 -2.76 0.00 0.00 -1.84 -3.29 103.07 95.04 2vvy h GLY 16 Ca 0.25 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.02 2vvy h GLY 16 CO -0.75 0.00 0.50 0.00 0.00 0.00 0.00 176.54 176.28 2vvy n ASP 18 N -0.99 0.81 -3.70 0.00 9.92 -1.26 -2.60 116.55 118.72 2vvy n ASP 18 Ca 0.12 -0.75 -0.08 0.00 -0.53 0.00 0.00 54.79 53.54 2vvy n ASP 18 Cb 0.45 1.20 -0.02 0.00 -0.64 0.00 0.00 41.12 42.11 2vvy n ASP 18 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2vvy s ARG 19 N -2.95 1.55 0.05 -1.24 0.52 -1.26 -3.53 118.95 112.09 2vvy s ARG 19 Ca 0.04 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 2vvy s ARG 19 Cb 0.14 0.58 -0.04 0.00 0.52 0.00 0.00 34.95 36.15 2vvy s ARG 19 CO 0.80 -0.70 0.08 -0.51 0.02 0.00 0.00 175.30 175.00 2vvy s LEU 20 N -2.85 3.85 -0.15 2.53 1.43 -1.26 -5.00 118.68 117.22 2vvy s LEU 20 Ca 0.08 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 2vvy s LEU 20 Cb -0.04 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2vvy s LEU 20 CO -0.00 0.21 -0.21 0.41 0.23 0.00 0.00 176.35 176.99 2vvy n THR 21 N 0.70 1.44 -3.70 5.49 -1.04 -1.26 -4.80 114.28 111.12 2vvy n THR 21 Ca -0.10 0.19 -0.28 0.00 -2.04 0.00 0.00 64.05 61.83 2vvy n THR 21 Cb 0.52 -2.37 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 2vvy n THR 21 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2vvy s SER 22 N -5.81 6.39 0.00 8.00 0.15 -1.26 -4.97 113.70 116.20 2vvy s SER 22 Ca -0.18 0.40 0.23 0.00 0.70 0.00 0.00 55.95 57.11 2vvy s SER 22 Cb 0.03 -2.01 1.05 0.00 -1.71 0.00 0.00 66.02 63.37 2vvy s SER 22 CO 0.27 -0.04 1.76 0.00 1.20 0.00 0.00 173.24 176.44 2vvy n ILE 23 N -0.62 0.36 0.21 6.45 3.06 -1.26 -2.87 119.36 124.69 2vvy n ILE 23 Ca -0.05 0.09 0.11 0.00 -2.50 0.00 0.00 62.75 60.40 2vvy n ILE 23 Cb 0.54 -0.69 0.24 0.00 0.54 0.00 0.00 39.64 40.26 2vvy n ILE 23 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 2vvy h ASP 24 N 0.00 0.00 0.68 9.51 3.32 -1.98 -2.98 116.42 124.96 2vvy h ASP 24 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vvy h ASP 24 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2vvy h ASP 24 CO 0.00 0.11 -0.06 0.47 -1.72 0.00 0.00 179.24 178.04 2vvy n ASP 25 N -3.14 0.13 -0.16 6.45 8.00 -1.14 -4.26 116.55 122.42 2vvy n ASP 25 Ca 0.03 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.43 2vvy n ASP 25 Cb 0.53 -0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2vvy n ASP 25 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2vvy h VAL 26 N 0.10 1.25 -0.15 2.53 2.07 -1.69 -1.38 116.25 118.99 2vvy h VAL 26 Ca 0.00 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.42 2vvy h VAL 26 Cb 0.39 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2vvy h VAL 26 CO 0.00 0.34 -0.44 -0.09 0.02 0.00 0.00 177.57 177.40 2vvy h ARG 27 N 0.65 0.55 -0.60 1.57 2.43 -1.81 -2.18 114.38 115.00 2vvy h ARG 27 Ca 0.14 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2vvy h ARG 27 Cb 0.43 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2vvy h ARG 27 CO 0.01 1.02 0.35 0.37 -1.51 0.00 0.00 179.97 180.22 2vvy h GLN 28 N 0.19 0.82 0.10 0.20 4.15 -1.79 -1.47 115.11 117.30 2vvy h GLN 28 Ca -0.01 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 2vvy h GLN 28 Cb 1.06 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.58 2vvy h GLN 28 CO 0.09 0.59 -0.05 0.00 -1.93 0.00 0.00 178.83 177.54 2vvy h LEU 30 N -0.51 0.93 0.26 0.00 3.38 -1.34 -0.65 115.31 117.38 2vvy h LEU 30 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2vvy h LEU 30 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2vvy h LEU 30 CO 0.02 0.74 -0.25 0.74 0.09 0.00 0.00 178.44 179.78 2vvy h THR 31 N 1.05 0.47 0.00 0.22 2.02 -1.19 -1.52 112.91 113.96 2vvy h THR 31 Ca 0.27 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.38 2vvy h THR 31 Cb -0.01 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2vvy h THR 31 CO -0.05 0.00 -0.35 -0.33 0.37 0.00 0.00 175.52 175.16 2vvy h GLU 32 N -0.54 0.00 0.20 6.66 5.08 -1.00 -1.18 114.58 123.80 2vvy h GLU 32 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2vvy h GLU 32 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2vvy h GLU 32 CO -0.05 0.35 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.30 2vvy h TYR 33 N 0.00 -0.25 -0.61 4.33 3.20 -0.83 0.87 116.97 123.69 2vvy h TYR 33 Ca -0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2vvy h TYR 33 Cb 0.63 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2vvy h TYR 33 CO 0.00 -0.11 0.20 0.82 -1.64 0.00 0.00 178.16 177.43 2vvy h ILE 34 N -0.32 1.23 -0.29 1.81 1.08 -0.88 -0.12 117.51 120.02 2vvy h ILE 34 Ca -0.03 -0.77 -0.05 0.00 -0.39 0.00 0.00 64.86 63.63 2vvy h ILE 34 Cb 0.25 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 2vvy h ILE 34 CO 0.04 0.30 -0.01 0.22 -0.69 0.00 0.00 178.15 178.01 2vvy h TYR 35 N 0.88 0.56 -0.53 1.37 3.20 -1.13 -2.99 116.97 118.34 2vvy h TYR 35 Ca 0.20 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.01 2vvy h TYR 35 Cb 0.24 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2vvy h TYR 35 CO 0.02 0.66 0.35 2.35 -1.64 0.00 0.00 178.16 179.90 2vvy h TRP 36 N 0.29 0.56 0.00 -3.82 7.01 -0.46 -1.39 115.95 118.14 2vvy h TRP 36 Ca 0.08 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.09 2vvy h TRP 36 Cb 0.45 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 2vvy h TRP 36 CO 0.04 0.32 0.00 0.43 -2.79 0.00 0.00 178.44 176.44 2vvy n SER 37 N -4.47 0.00 -0.05 2.65 7.64 -0.09 -2.01 113.62 117.29 2vvy n SER 37 Ca 0.06 0.37 -0.13 0.00 1.01 0.00 0.00 58.87 60.18 2vvy n SER 37 Cb 0.17 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 62.88 2vvy n SER 37 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2vvy h SER 38 N 0.00 0.35 0.00 6.43 0.02 -1.31 -3.04 113.55 116.01 2vvy h SER 38 Ca 0.00 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2vvy h SER 38 Cb 0.10 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2vvy h SER 38 CO 0.00 0.78 0.00 0.00 -1.14 0.00 0.00 176.83 176.47 2vvy n TYR 39 N -4.57 0.00 0.30 3.45 4.11 -1.19 -4.04 117.16 115.22 2vvy n TYR 39 Ca -0.06 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 57.98 2vvy n TYR 39 Cb 0.36 0.00 0.68 0.00 -0.00 0.00 0.00 39.34 40.39 2vvy n TYR 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2vvy h ALA 40 N 0.00 1.00 0.00 -3.48 0.00 -1.76 -3.01 119.26 112.02 2vvy h ALA 40 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2vvy h ALA 40 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2vvy h ALA 40 CO 0.00 0.00 -0.48 0.10 0.00 0.00 0.00 179.25 178.87 2vvy h TYR 41 N 0.00 0.00 -0.01 0.00 -0.00 -1.60 -1.26 116.97 114.10 2vvy h TYR 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2vvy h TYR 41 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.96 2vvy h TYR 41 CO 0.00 0.48 -0.16 2.89 -0.00 0.00 0.00 178.16 181.37 2vvy n ARG 42 N -3.92 0.98 -0.01 0.10 1.85 -1.13 -3.91 116.66 110.62 2vvy n ARG 42 Ca -0.01 -0.52 0.00 0.00 -1.00 0.00 0.00 57.85 56.32 2vvy n ARG 42 Cb 0.51 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.39 2vvy n ARG 42 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2vvy n ASN 43 N -0.55 3.97 -3.82 2.89 3.02 -1.11 -4.99 115.26 114.66 2vvy n ASN 43 Ca 0.14 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.47 2vvy n ASN 43 Cb 0.33 0.91 -0.17 0.00 -0.61 0.00 0.00 39.78 40.23 2vvy n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2vvy s ARG 44 N -2.21 0.77 0.43 3.52 3.52 -0.49 -5.03 118.95 119.47 2vvy s ARG 44 Ca -0.02 0.01 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 2vvy s ARG 44 Cb 0.02 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.42 2vvy s ARG 44 CO 0.18 -0.23 0.63 -0.65 -0.81 0.00 0.00 175.30 174.41 2vvy s GLN 45 N 1.64 2.98 -0.30 5.12 -0.21 -1.26 -4.35 119.66 123.27 2vvy s GLN 45 Ca 0.00 -0.73 -0.03 0.00 0.02 0.00 0.00 55.36 54.63 2vvy s GLN 45 Cb -0.13 -2.63 0.10 0.00 1.00 0.00 0.00 33.01 31.35 2vvy s GLN 45 CO -0.04 -0.25 0.12 0.00 -2.12 0.00 0.00 175.29 173.00 2vvy n ALA 47 N 5.11 2.96 -0.98 0.00 0.00 -1.26 -4.67 120.51 121.67 2vvy n ALA 47 Ca -0.04 -0.23 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 2vvy n ALA 47 Cb 0.42 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.65 2vvy n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vvy n GLY 48 N 1.50 -3.09 0.22 0.00 0.00 -1.24 -4.81 105.19 97.77 2vvy n GLY 48 Ca 0.06 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.52 2vvy n GLY 48 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vvy h GLN 49 N -1.03 0.00 0.07 1.61 4.20 -1.77 -2.77 115.11 115.42 2vvy h GLN 49 Ca -0.44 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 2vvy h GLN 49 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2vvy h GLN 49 CO 0.32 0.21 -0.03 1.25 -0.67 0.00 0.00 178.83 179.90 2vvy h LEU 50 N 0.00 -0.08 -1.23 1.46 5.85 -1.54 -1.53 115.31 118.23 2vvy h LEU 50 Ca -0.00 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2vvy h LEU 50 Cb 0.75 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2vvy h LEU 50 CO 0.03 0.16 -0.18 1.88 -0.34 0.00 0.00 178.44 179.99 2vvy h TYR 51 N -0.33 0.00 -0.12 1.25 -1.99 -1.75 -1.53 116.97 112.50 2vvy h TYR 51 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2vvy h TYR 51 Cb 0.29 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 2vvy h TYR 51 CO 0.00 0.18 0.02 1.03 -0.00 0.00 0.00 178.16 179.40 2vvy h SER 52 N 0.00 0.20 0.11 3.88 0.87 -1.32 -2.09 113.55 115.20 2vvy h SER 52 Ca -0.00 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 2vvy h SER 52 Cb 0.67 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2vvy h SER 52 CO 0.02 0.40 -0.05 0.74 -0.53 0.00 0.00 176.83 177.41 2vvy h THR 53 N -0.01 0.89 -0.34 2.23 2.02 -0.92 -2.60 112.91 114.17 2vvy h THR 53 Ca 0.04 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.29 2vvy h THR 53 Cb 0.28 0.89 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 2vvy h THR 53 CO 0.00 0.00 -0.11 -0.07 0.37 0.00 0.00 175.52 175.71 2vvy h LEU 54 N -0.15 -0.39 -1.95 2.58 3.38 -1.29 -1.04 115.31 116.45 2vvy h LEU 54 Ca -0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2vvy h LEU 54 Cb 0.12 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2vvy h LEU 54 CO 0.03 -0.14 0.04 -0.07 0.09 0.00 0.00 178.44 178.38 2vvy h LEU 55 N -0.04 0.06 0.00 1.67 3.38 -1.30 -0.10 115.31 118.98 2vvy h LEU 55 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2vvy h LEU 55 Cb 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2vvy h LEU 55 CO -0.37 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 176.66 2vvy n SER 56 N -4.53 0.00 0.07 -0.43 3.41 -0.40 -2.34 113.62 109.40 2vvy n SER 56 Ca -0.02 0.38 0.09 0.00 -0.26 0.00 0.00 58.87 59.06 2vvy n SER 56 Cb 0.10 -0.44 0.40 0.00 -0.26 0.00 0.00 64.21 64.01 2vvy n SER 56 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2vvy n PHE 57 N -1.44 0.45 0.14 7.33 3.72 -0.05 -1.41 117.46 126.20 2vvy n PHE 57 Ca 0.05 0.18 0.06 0.00 -0.05 0.00 0.00 57.45 57.69 2vvy n PHE 57 Cb 0.17 -0.79 0.55 0.00 -0.94 0.00 0.00 39.48 38.47 2vvy n PHE 57 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2vvy h ARG 58 N 0.00 0.23 -0.45 -1.08 2.43 -1.65 -0.49 114.38 113.37 2vvy h ARG 58 Ca 0.00 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2vvy h ARG 58 Cb 0.29 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2vvy h ARG 58 CO 0.00 0.15 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.90 2vvy h ASP 59 N 0.24 1.02 0.20 -3.80 3.32 -1.48 -1.16 116.42 114.76 2vvy h ASP 59 Ca 0.07 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.59 2vvy h ASP 59 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2vvy h ASP 59 CO -0.01 1.22 -0.42 0.44 -1.72 0.00 0.00 179.24 178.74 2vvy h ASP 60 N 0.83 0.29 0.07 6.45 3.32 -1.46 -2.05 116.42 123.87 2vvy h ASP 60 Ca 0.10 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2vvy h ASP 60 Cb 0.86 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2vvy h ASP 60 CO 0.08 0.68 -0.03 0.00 -1.72 0.00 0.00 179.24 178.25 2vvy h ALA 61 N 1.33 -0.09 -0.52 3.45 0.00 -0.90 -2.43 119.26 120.10 2vvy h ALA 61 Ca 0.02 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2vvy h ALA 61 Cb 0.84 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2vvy h ALA 61 CO 0.07 -0.44 0.35 0.93 0.00 0.00 0.00 179.25 180.16 2vvy h GLU 62 N -0.31 0.43 -0.13 0.00 4.39 -1.14 0.26 114.58 118.08 2vvy h GLU 62 Ca -0.01 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 2vvy h GLU 62 Cb 0.27 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2vvy h GLU 62 CO 0.01 0.28 -0.51 1.25 -1.16 0.00 0.00 179.01 178.88 2vvy h LEU 63 N 0.44 0.39 0.08 1.33 6.46 -1.19 -1.43 115.31 121.39 2vvy h LEU 63 Ca 0.23 -0.20 -0.37 0.00 -0.12 0.00 0.00 57.88 57.43 2vvy h LEU 63 Cb 0.34 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 2vvy h LEU 63 CO -0.06 0.84 -2.13 0.52 -0.62 0.00 0.00 178.44 176.99 2vvy n VAL 64 N -3.95 1.68 0.07 1.05 0.31 -0.65 -4.40 118.33 112.43 2vvy n VAL 64 Ca -0.02 -0.65 0.09 0.00 -0.01 0.00 0.00 64.34 63.75 2vvy n VAL 64 Cb 0.56 -1.55 0.19 0.00 -0.91 0.00 0.00 33.84 32.14 2vvy n VAL 64 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2vvy n PHE 65 N -3.36 0.50 0.00 3.52 3.01 0.81 -5.02 117.46 116.92 2vvy n PHE 65 Ca -0.35 -0.33 0.00 0.00 1.01 0.00 0.00 57.45 57.78 2vvy n PHE 65 Cb 1.04 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 2vvy n PHE 65 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2vvy n ILE 66 N 1.12 0.00 -3.57 4.37 5.41 -0.54 -4.23 119.36 121.92 2vvy n ILE 66 Ca 0.16 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.51 2vvy n ILE 66 Cb 0.51 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.37 2vvy n ILE 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2vvy s ASP 67 N -4.00 5.76 0.38 4.38 -1.08 -1.26 -4.67 116.67 116.17 2vvy s ASP 67 Ca 0.00 -2.34 0.19 0.00 -0.52 0.00 0.00 52.55 49.87 2vvy s ASP 67 Cb 0.00 -2.00 0.69 0.00 -1.46 0.00 0.00 42.92 40.15 2vvy s ASP 67 CO 0.00 -0.57 1.74 0.16 0.52 0.00 0.00 175.17 177.02 2vvy h ILE 68 N 5.63 0.88 0.33 4.11 3.07 -1.90 -2.30 117.51 127.33 2vvy h ILE 68 Ca -0.09 -1.50 -0.02 0.00 1.55 0.00 0.00 64.86 64.80 2vvy h ILE 68 Cb 1.03 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 2vvy h ILE 68 CO 0.79 0.36 -0.16 -0.09 -1.05 0.00 0.00 178.15 178.00 2vvy h ARG 69 N 0.00 -0.43 0.00 0.16 9.65 -1.95 0.06 114.38 121.86 2vvy h ARG 69 Ca -0.00 0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.85 2vvy h ARG 69 Cb 0.89 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 2vvy h ARG 69 CO 0.05 -0.23 -0.26 0.93 2.80 0.00 0.00 179.97 183.26 2vvy h GLU 70 N -0.53 0.00 -0.05 0.20 4.39 -1.98 -2.79 114.58 113.82 2vvy h GLU 70 Ca -0.05 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 2vvy h GLU 70 Cb 0.40 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2vvy h GLU 70 CO 0.08 0.26 -0.91 1.25 -1.16 0.00 0.00 179.01 178.53 2vvy h LEU 71 N 0.00 0.89 -0.94 1.33 5.85 -1.22 -2.96 115.31 118.26 2vvy h LEU 71 Ca -0.00 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 57.98 2vvy h LEU 71 Cb 0.55 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2vvy h LEU 71 CO 0.03 1.46 0.34 0.58 -0.34 0.00 0.00 178.44 180.52 2vvy h VAL 72 N 0.39 1.25 -0.39 1.05 2.07 -0.78 -2.95 116.25 116.89 2vvy h VAL 72 Ca -0.10 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 2vvy h VAL 72 Cb 1.56 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2vvy h VAL 72 CO 0.18 0.30 0.13 0.11 0.02 0.00 0.00 177.57 178.32 2vvy h LYS 73 N 1.09 0.59 -1.80 1.57 1.57 -1.53 -3.47 116.57 114.59 2vvy h LYS 73 Ca 0.26 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2vvy h LYS 73 Cb 0.15 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2vvy h LYS 73 CO -0.03 0.59 0.00 0.09 -0.57 0.00 0.00 179.45 179.53 2vvy n ASN 74 N -4.62 0.93 -3.77 0.86 3.02 -1.12 -5.01 115.26 105.55 2vvy n ASN 74 Ca -0.00 -0.73 -0.28 0.00 -0.03 0.00 0.00 54.58 53.54 2vvy n ASN 74 Cb 0.17 -0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 39.05 2vvy n ASN 74 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2vvy n PRO 76 N 1.11 1.66 0.10 3.52 -0.05 -1.26 -5.12 135.00 134.95 2vvy n PRO 76 Ca 0.00 -4.30 0.10 0.00 -0.05 0.00 0.00 63.50 59.25 2vvy n PRO 76 Cb 0.13 -2.18 0.44 0.00 -0.05 0.00 0.00 33.50 31.84 2vvy n PRO 76 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 175.50 176.36 2vvy n TRP 77 N 1.95 0.58 0.58 0.54 7.02 -1.26 -0.78 117.44 126.07 2vvy n TRP 77 Ca 0.22 0.24 0.11 0.00 -1.02 0.00 0.00 57.50 57.06 2vvy n TRP 77 Cb 0.38 -0.88 0.45 0.00 -2.42 0.00 0.00 31.31 28.84 2vvy n TRP 77 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2vvy n ASP 78 N -2.04 0.46 -3.78 -0.99 3.85 -1.26 -4.52 116.55 108.26 2vvy n ASP 78 Ca 0.02 0.58 -0.30 0.00 -0.71 0.00 0.00 54.79 54.38 2vvy n ASP 78 Cb 0.19 -0.69 -0.14 0.00 -1.35 0.00 0.00 41.12 39.13 2vvy n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2vvy s ASP 79 N -3.85 4.03 0.15 -1.12 2.15 0.04 -5.00 116.67 113.06 2vvy s ASP 79 Ca 0.08 -2.16 -0.17 0.00 0.43 0.00 0.00 52.55 50.73 2vvy s ASP 79 Cb 0.12 -1.09 -0.01 0.00 -0.30 0.00 0.00 42.92 41.63 2vvy s ASP 79 CO 0.44 -0.34 1.80 0.58 -0.17 0.00 0.00 175.17 177.48 2vvy h VAL 80 N 6.00 1.09 -0.75 1.11 2.07 -1.79 -1.63 116.25 122.34 2vvy h VAL 80 Ca -0.07 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.37 2vvy h VAL 80 Cb 0.98 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 2vvy h VAL 80 CO 0.49 0.09 0.41 0.11 0.02 0.00 0.00 177.57 178.69 2vvy h LYS 81 N 0.47 0.69 -0.11 1.57 1.79 -1.94 -1.34 116.57 117.70 2vvy h LYS 81 Ca 0.13 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.36 2vvy h LYS 81 Cb -0.05 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.44 2vvy h LYS 81 CO -0.03 0.46 -0.74 0.22 -1.08 0.00 0.00 179.45 178.28 2vvy h ASP 82 N 0.71 0.65 -0.71 0.86 3.58 -1.81 -2.19 116.42 117.51 2vvy h ASP 82 Ca 0.36 -0.42 0.02 0.00 0.42 0.00 0.00 57.03 57.41 2vvy h ASP 82 Cb 0.32 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 2vvy h ASP 82 CO -0.24 1.18 0.45 0.00 -2.88 0.00 0.00 179.24 177.76 2vvy h ALA 84 N 1.29 1.30 -0.80 0.00 0.00 -1.07 -0.92 119.26 119.06 2vvy h ALA 84 Ca 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2vvy h ALA 84 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2vvy h ALA 84 CO -0.09 0.52 0.34 0.93 0.00 0.00 0.00 179.25 180.94 2vvy h GLU 85 N 0.84 1.19 -0.24 0.00 4.39 -0.70 -1.51 114.58 118.54 2vvy h GLU 85 Ca 0.20 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2vvy h GLU 85 Cb 0.17 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2vvy h GLU 85 CO -0.02 0.95 -0.01 0.82 -1.16 0.00 0.00 179.01 179.59 2vvy h ILE 86 N 1.16 1.26 -0.77 3.13 2.04 -0.56 -2.78 117.51 120.99 2vvy h ILE 86 Ca 0.27 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.26 2vvy h ILE 86 Cb 0.19 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2vvy h ILE 86 CO -0.03 0.29 0.45 0.40 0.00 0.00 0.00 178.15 179.27 2vvy h ILE 87 N 0.20 0.98 0.00 -0.67 2.04 -1.05 -1.04 117.51 117.98 2vvy h ILE 87 Ca 0.07 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2vvy h ILE 87 Cb 0.44 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2vvy h ILE 87 CO 0.01 0.15 0.00 0.54 0.00 0.00 0.00 178.15 178.85 2vvy n ARG 88 N -4.71 0.11 -0.07 2.37 1.74 -0.58 -0.61 116.66 114.90 2vvy n ARG 88 Ca 0.11 0.22 -0.14 0.00 -0.77 0.00 0.00 57.85 57.27 2vvy n ARG 88 Cb 0.19 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 2vvy n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vvy h TYR 90 N 0.26 0.40 -3.42 0.00 -1.99 -0.95 -3.40 116.97 107.87 2vvy h TYR 90 Ca 0.02 -0.28 -0.68 0.00 2.00 0.00 0.00 58.73 59.79 2vvy h TYR 90 Cb 0.90 -0.02 -0.37 0.00 2.00 0.00 0.00 36.73 39.23 2vvy h TYR 90 CO 0.09 1.20 -0.39 0.42 -0.00 0.00 0.00 178.16 179.47 2vvy s ILE 91 N -2.49 3.52 0.01 -2.88 1.01 0.05 -4.97 121.20 115.45 2vvy s ILE 91 Ca -0.15 -3.37 -0.19 0.00 0.00 0.00 0.00 60.65 56.94 2vvy s ILE 91 Cb 0.00 -3.29 -0.24 0.00 0.01 0.00 0.00 42.46 38.94 2vvy s ILE 91 CO 0.79 -0.92 1.09 1.55 0.00 0.00 0.00 174.94 177.45 2vvy h PRO 92 N 6.53 0.44 -7.14 2.79 0.14 -1.74 -3.37 132.00 129.64 2vvy h PRO 92 Ca 0.02 -0.50 -0.49 0.00 0.14 0.00 0.00 66.00 65.18 2vvy h PRO 92 Cb 0.89 0.15 0.06 0.00 0.14 0.00 0.00 31.00 32.24 2vvy h PRO 92 CO 0.73 1.15 0.39 -0.51 0.14 0.00 0.00 178.00 179.91 2vvy s ASP 93 N -6.85 5.77 0.16 1.44 1.01 -1.26 -4.95 116.67 111.99 2vvy s ASP 93 Ca -0.13 1.97 -0.02 0.00 0.71 0.00 0.00 52.55 55.08 2vvy s ASP 93 Cb 0.04 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 2vvy s ASP 93 CO 0.84 -1.17 1.38 -0.08 0.21 0.00 0.00 175.17 176.35 2vvy h GLU 94 N 0.83 0.39 -6.45 8.23 4.57 -2.02 -3.38 114.58 116.74 2vvy h GLU 94 Ca -0.48 -0.36 -0.54 0.00 -1.18 0.00 0.00 59.36 56.80 2vvy h GLU 94 Cb 1.24 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.84 2vvy h GLU 94 CO 0.57 1.01 1.05 -1.14 -1.18 0.00 0.00 179.01 179.32 2vvy s GLN 95 N -3.46 3.33 0.18 1.92 0.74 -1.26 -5.02 119.66 116.09 2vvy s GLN 95 Ca -0.05 0.14 -0.01 0.00 0.05 0.00 0.00 55.36 55.49 2vvy s GLN 95 Cb 0.10 -4.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.06 2vvy s GLN 95 CO 0.85 -1.93 0.36 0.15 -0.55 0.00 0.00 175.29 174.17 2vvy s LYS 96 N 5.41 3.51 0.40 1.67 1.02 -1.26 -5.07 119.74 125.43 2vvy s LYS 96 Ca 0.43 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 56.03 2vvy s LYS 96 Cb -0.09 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2vvy s LYS 96 CO 0.22 0.43 0.67 0.95 -0.92 0.00 0.00 175.35 176.70 2vvy s THR 97 N -1.81 4.98 0.51 2.17 -4.23 -1.26 -4.92 115.64 111.08 2vvy s THR 97 Ca 0.38 0.01 0.21 0.00 -1.18 0.00 0.00 61.69 61.11 2vvy s THR 97 Cb -0.11 -3.83 0.36 0.00 1.34 0.00 0.00 72.50 70.26 2vvy s THR 97 CO 0.28 -0.63 2.02 -0.29 -0.54 0.00 0.00 174.62 175.46 2vvy h ILE 98 N 0.69 0.81 -0.19 2.99 2.10 -1.98 -0.20 117.51 121.73 2vvy h ILE 98 Ca -0.48 -0.03 -0.20 0.00 1.08 0.00 0.00 64.86 65.22 2vvy h ILE 98 Cb 1.20 0.71 0.01 0.00 -1.09 0.00 0.00 36.82 37.65 2vvy h ILE 98 CO 0.63 0.02 -0.68 -0.09 -1.08 0.00 0.00 178.15 176.94 2vvy h ARG 99 N 0.09 0.80 -0.46 2.19 2.43 -1.99 -2.55 114.38 114.89 2vvy h ARG 99 Ca 0.22 -0.60 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 2vvy h ARG 99 Cb 0.74 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2vvy h ARG 99 CO -0.02 1.22 -0.10 0.93 -1.51 0.00 0.00 179.97 180.49 2vvy h GLU 100 N 0.54 0.82 -0.48 0.20 5.08 -1.50 -0.39 114.58 118.86 2vvy h GLU 100 Ca -0.03 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 2vvy h GLU 100 Cb 1.30 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2vvy h GLU 100 CO 0.14 0.89 -0.22 0.82 -1.00 0.00 0.00 179.01 179.64 2vvy h ILE 101 N 0.74 1.27 -0.52 3.13 2.04 -1.13 -1.85 117.51 121.19 2vvy h ILE 101 Ca 0.13 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 2vvy h ILE 101 Cb 0.59 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2vvy h ILE 101 CO 0.04 0.48 0.04 0.28 0.00 0.00 0.00 178.15 178.99 2vvy h SER 102 N 0.85 0.86 -0.50 1.72 0.02 -1.28 -2.50 113.55 112.72 2vvy h SER 102 Ca 0.11 -0.28 0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2vvy h SER 102 Cb 0.80 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 2vvy h SER 102 CO 0.07 0.93 0.10 0.00 -1.14 0.00 0.00 176.83 176.79 2vvy h ALA 103 N 0.96 0.57 -0.44 3.77 0.00 -0.87 0.24 119.26 123.49 2vvy h ALA 103 Ca 0.15 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2vvy h ALA 103 Cb 0.46 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2vvy h ALA 103 CO 0.02 -0.31 0.25 0.82 0.00 0.00 0.00 179.25 180.03 2vvy h ILE 104 N 0.24 1.16 -0.53 0.00 2.04 -1.12 0.28 117.51 119.57 2vvy h ILE 104 Ca 0.25 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 2vvy h ILE 104 Cb 0.34 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2vvy h ILE 104 CO -0.33 0.16 0.06 0.40 0.00 0.00 0.00 178.15 178.44 2vvy h ILE 105 N 0.58 1.26 -0.26 -0.67 2.04 -1.20 -2.06 117.51 117.20 2vvy h ILE 105 Ca 0.16 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2vvy h ILE 105 Cb 0.04 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2vvy h ILE 105 CO -0.03 0.36 0.15 1.23 0.00 0.00 0.00 178.15 179.86 2vvy h GLY 106 N 0.79 0.36 0.96 5.37 0.00 -0.01 -1.24 103.07 109.30 2vvy h GLY 106 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2vvy h GLY 106 CO 0.02 0.10 0.22 -2.00 0.00 0.00 0.00 176.54 174.87 2vvy h LEU 107 N 0.30 0.59 -0.77 3.11 5.85 -0.38 -2.35 115.31 121.67 2vvy h LEU 107 Ca 0.10 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 2vvy h LEU 107 Cb 0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2vvy h LEU 107 CO -0.06 0.56 -0.20 0.00 -0.34 0.00 0.00 178.44 178.40 2vvy h ALA 109 N 1.15 0.98 -0.25 0.00 0.00 -1.15 -0.64 119.26 119.36 2vvy h ALA 109 Ca 0.09 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2vvy h ALA 109 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2vvy h ALA 109 CO 0.05 0.60 -0.11 -0.92 0.00 0.00 0.00 179.25 178.87 2vvy h TYR 110 N 0.64 0.58 -0.89 0.00 3.20 -1.08 -2.05 116.97 117.37 2vvy h TYR 110 Ca 0.10 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.88 2vvy h TYR 110 Cb 0.64 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 2vvy h TYR 110 CO 0.03 0.76 0.58 0.00 -1.64 0.00 0.00 178.16 177.90 2vvy h ALA 111 N 0.73 1.48 -0.31 1.82 0.00 -0.96 0.63 119.26 122.65 2vvy h ALA 111 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2vvy h ALA 111 Cb 0.60 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2vvy h ALA 111 CO 0.03 0.41 -0.23 0.00 0.00 0.00 0.00 179.25 179.46 2vvy h ALA 112 N 1.50 1.02 -0.06 0.00 0.00 -0.87 -1.13 119.26 119.72 2vvy h ALA 112 Ca 0.37 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2vvy h ALA 112 Cb 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2vvy h ALA 112 CO -0.13 0.59 -0.63 1.15 0.00 0.00 0.00 179.25 180.23 2vvy h THR 113 N 0.53 1.37 -0.53 0.00 2.02 -0.72 -2.10 112.91 113.46 2vvy h THR 113 Ca 0.08 -1.97 0.05 0.00 0.77 0.00 0.00 66.41 65.34 2vvy h THR 113 Cb 0.68 2.32 -0.05 0.00 -1.74 0.00 0.00 68.15 69.36 2vvy h THR 113 CO 0.05 0.59 0.27 0.22 0.37 0.00 0.00 175.52 177.02 2vvy h TYR 114 N 0.13 0.50 0.00 3.16 3.20 -0.75 -3.13 116.97 120.07 2vvy h TYR 114 Ca -0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2vvy h TYR 114 Cb 1.29 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2vvy h TYR 114 CO 0.12 0.24 -0.62 0.91 -1.64 0.00 0.00 178.16 177.17 2vvy n TRP 115 N -4.87 0.31 -1.06 -3.82 7.02 -0.44 -4.94 117.44 109.64 2vvy n TRP 115 Ca 0.05 0.09 -0.30 0.00 -1.02 0.00 0.00 57.50 56.32 2vvy n TRP 115 Cb 0.14 -0.48 0.14 0.00 -2.42 0.00 0.00 31.31 28.69 2vvy n TRP 115 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2vvy s GLY 116 N -3.41 1.64 0.17 6.99 0.00 -0.79 -4.49 107.32 107.44 2vvy s GLY 116 Ca 0.08 0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 2vvy s GLY 116 CO 0.72 0.61 0.24 0.61 0.00 0.00 0.00 173.10 175.28 2vvy n GLY 117 N -0.73 0.15 0.13 0.20 0.00 0.43 -4.93 105.19 100.45 2vvy n GLY 117 Ca 0.08 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 2vvy n GLY 117 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vvy h GLU 118 N 0.00 0.36 0.00 1.61 4.22 -1.94 -3.40 114.58 115.43 2vvy h GLU 118 Ca -0.08 -0.62 0.00 0.00 0.08 0.00 0.00 59.36 58.74 2vvy h GLU 118 Cb 0.26 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2vvy h GLU 118 CO 0.07 1.26 0.00 -0.40 -2.18 0.00 0.00 179.01 177.76 2vvy n ASP 119 N -3.56 0.72 -3.92 1.04 5.68 -1.26 -4.81 116.55 110.44 2vvy n ASP 119 Ca -0.19 -0.97 -0.09 0.00 -0.50 0.00 0.00 54.79 53.04 2vvy n ASP 119 Cb 1.07 0.04 -0.09 0.00 -1.14 0.00 0.00 41.12 41.00 2vvy n ASP 119 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2vvy s HIS 120 N -0.04 0.19 0.67 2.11 -3.43 -1.26 -4.98 115.29 108.55 2vvy s HIS 120 Ca 0.00 -0.50 -0.08 0.00 -0.80 0.00 0.00 55.06 53.68 2vvy s HIS 120 Cb 0.00 -0.13 0.03 0.00 -1.43 0.00 0.00 32.58 31.05 2vvy s HIS 120 CO 0.00 -0.39 1.00 -1.25 -2.00 0.00 0.00 174.74 172.10 2vvy s PRO 121 N -2.76 2.61 0.34 -0.38 0.04 -1.26 -0.43 135.00 133.15 2vvy s PRO 121 Ca -0.04 0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.12 2vvy s PRO 121 Cb -0.00 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 2vvy s PRO 121 CO -0.05 -1.01 -0.05 0.95 0.04 0.00 0.00 177.00 176.88 2vvy s THR 122 N -3.20 1.90 0.27 1.26 -4.23 -1.26 -4.72 115.64 105.66 2vvy s THR 122 Ca 0.57 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2vvy s THR 122 Cb -0.11 -2.67 0.26 0.00 1.34 0.00 0.00 72.50 71.32 2vvy s THR 122 CO 0.47 -0.17 1.80 0.28 -0.54 0.00 0.00 174.62 176.46 2vvy h SER 123 N 2.06 0.76 -0.33 3.99 0.02 -2.00 -1.21 113.55 116.84 2vvy h SER 123 Ca -0.42 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.48 2vvy h SER 123 Cb 1.24 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2vvy h SER 123 CO 0.71 0.37 -0.28 0.78 -1.14 0.00 0.00 176.83 177.27 2vvy h ASN 124 N 0.82 0.82 -0.25 3.07 2.35 -1.89 -1.64 115.58 118.86 2vvy h ASN 124 Ca 0.48 -0.46 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 2vvy h ASN 124 Cb 0.57 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2vvy h ASN 124 CO -0.31 1.10 -0.11 0.77 -1.65 0.00 0.00 177.43 177.24 2vvy h SER 125 N 0.55 0.63 -0.34 5.81 4.64 -1.66 -2.23 113.55 120.95 2vvy h SER 125 Ca 0.06 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2vvy h SER 125 Cb 0.86 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 2vvy h SER 125 CO 0.07 0.77 0.02 -0.07 -0.87 0.00 0.00 176.83 176.75 2vvy h LEU 126 N 0.59 0.57 -2.04 5.97 3.38 -1.20 -3.03 115.31 119.56 2vvy h LEU 126 Ca 0.11 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.87 2vvy h LEU 126 Cb 0.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2vvy h LEU 126 CO 0.03 0.72 0.22 0.78 0.09 0.00 0.00 178.44 180.29 2vvy h ASN 127 N 0.40 0.00 -0.75 -0.43 2.35 -0.81 0.76 115.58 117.10 2vvy h ASN 127 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2vvy h ASN 127 Cb 0.42 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 2vvy h ASN 127 CO 0.01 0.00 0.47 0.00 -1.65 0.00 0.00 177.43 176.27 2vvy h ALA 128 N 1.83 1.43 -0.79 -0.83 0.00 -1.28 0.91 119.26 120.52 2vvy h ALA 128 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2vvy h ALA 128 Cb 0.58 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2vvy h ALA 128 CO -0.00 0.51 0.34 1.25 0.00 0.00 0.00 179.25 181.35 2vvy h LEU 129 N 1.02 1.08 0.00 0.00 5.85 -0.91 -2.99 115.31 119.36 2vvy h LEU 129 Ca 0.27 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 2vvy h LEU 129 Cb -0.08 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 2vvy h LEU 129 CO -0.06 0.94 -0.53 -0.26 -0.34 0.00 0.00 178.44 178.20 2vvy h PHE 130 N 1.14 0.00 0.00 1.25 0.04 -1.14 -2.80 116.94 115.43 2vvy h PHE 130 Ca 0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2vvy h PHE 130 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2vvy h PHE 130 CO 0.02 0.51 0.00 0.28 -0.60 0.00 0.00 178.31 178.52 2vvy n VAL 131 N -3.22 0.09 0.00 -0.55 0.31 0.23 -1.32 118.33 113.87 2vvy n VAL 131 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2vvy n VAL 131 Cb 0.74 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 2vvy n VAL 131 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2vvy n LEU 133 N 0.61 0.00 -0.46 7.52 4.77 -1.06 -4.73 117.00 123.65 2vvy n LEU 133 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2vvy n LEU 133 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2vvy n LEU 133 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.27 2vvy n GLU 134 N 0.00 0.00 0.00 3.23 4.07 -0.43 -4.76 120.64 122.74 2vvy n GLU 134 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2vvy n GLU 134 Cb 0.00 -1.00 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 2vvy n GLU 134 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2vvy n LEU 136 N 0.41 0.00 -5.01 4.31 4.77 -1.26 -5.13 117.00 115.09 2vvy n LEU 136 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 2vvy n LEU 136 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2vvy n LEU 136 CO 0.00 0.00 0.30 0.54 -1.33 0.00 0.00 177.39 176.90 2vvy s ASN 137 N 0.00 4.93 0.36 -1.43 2.20 -1.26 -5.00 114.94 114.74 2vvy s ASN 137 Ca 0.00 -0.99 0.09 0.00 -0.94 0.00 0.00 52.86 51.02 2vvy s ASN 137 Cb 0.00 0.45 0.70 0.00 -2.00 0.00 0.00 41.25 40.40 2vvy s ASN 137 CO 0.00 -1.36 1.85 0.10 -2.94 0.00 0.00 177.10 174.76 2vvy h TYR 138 N 0.26 0.21 -0.07 1.54 -0.00 -2.00 -1.85 116.97 115.07 2vvy h TYR 138 Ca -0.30 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.73 58.32 2vvy h TYR 138 Cb 1.29 -0.06 -0.01 0.00 -0.00 0.00 0.00 36.73 37.96 2vvy h TYR 138 CO 0.58 0.42 -0.31 0.28 -0.00 0.00 0.00 178.16 179.13 2vvy h VAL 139 N 0.18 1.25 -0.19 -0.90 2.07 -2.00 -2.47 116.25 114.20 2vvy h VAL 139 Ca 0.03 -1.19 -0.15 0.00 0.82 0.00 0.00 66.70 66.21 2vvy h VAL 139 Cb 0.52 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2vvy h VAL 139 CO 0.04 0.35 -0.51 0.44 0.02 0.00 0.00 177.57 177.91 2vvy h ASP 140 N 0.11 0.58 0.48 0.57 3.32 -1.74 -3.09 116.42 116.66 2vvy h ASP 140 Ca 0.01 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 2vvy h ASP 140 Cb 0.62 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2vvy h ASP 140 CO 0.04 0.98 -0.33 1.88 -1.72 0.00 0.00 179.24 180.09 2vvy h TYR 141 N 0.41 0.00 -0.20 4.55 0.05 -1.07 -1.98 116.97 118.73 2vvy h TYR 141 Ca 0.02 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 2vvy h TYR 141 Cb 1.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 2vvy h TYR 141 CO 0.04 0.33 -0.38 -0.91 -1.05 0.00 0.00 178.16 176.19 2vvy h ASN 142 N 0.00 0.45 0.09 3.88 4.21 -1.41 -2.59 115.58 120.21 2vvy h ASN 142 Ca -0.00 -0.19 -0.00 0.00 1.21 0.00 0.00 56.30 57.31 2vvy h ASN 142 Cb 0.67 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2vvy h ASN 142 CO 0.04 0.80 -0.04 0.40 -1.29 0.00 0.00 177.43 177.34 2vvy h ILE 143 N 0.36 0.96 0.00 2.81 2.04 -1.43 -3.26 117.51 118.99 2vvy h ILE 143 Ca 0.04 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2vvy h ILE 143 Cb 0.83 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2vvy h ILE 143 CO 0.07 0.28 0.00 -0.29 0.00 0.00 0.00 178.15 178.21 2vvy h ILE 144 N -0.91 0.00 -0.15 -0.67 6.09 -1.48 -0.30 117.51 120.09 2vvy h ILE 144 Ca -0.01 -0.23 0.04 0.00 -1.37 0.00 0.00 64.86 63.29 2vvy h ILE 144 Cb 0.56 1.16 -0.01 0.00 0.47 0.00 0.00 36.82 39.00 2vvy h ILE 144 CO 0.02 0.00 0.11 0.15 -3.07 0.00 0.00 178.15 175.36 2vvy h PHE 145 N 0.00 0.00 0.00 2.19 3.57 -1.49 -2.06 116.94 119.14 2vvy h PHE 145 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2vvy h PHE 145 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2vvy h PHE 145 CO 0.00 0.00 0.00 0.54 -2.23 0.00 0.00 178.31 176.62 2vvy n ARG 146 N -4.42 0.12 -1.23 1.11 5.12 -0.12 -2.49 116.66 114.76 2vvy n ARG 146 Ca 0.01 0.34 -0.28 0.00 -1.93 0.00 0.00 57.85 55.99 2vvy n ARG 146 Cb 0.24 -1.73 0.05 0.00 -1.16 0.00 0.00 32.46 29.86 2vvy n ARG 146 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2vvy n ARG 147 N -1.96 2.33 0.00 5.56 1.74 -0.78 -5.18 116.66 118.38 2vvy n ARG 147 Ca 0.03 -2.56 0.14 0.00 -0.77 0.00 0.00 57.85 54.69 2vvy n ARG 147 Cb 0.22 -2.02 0.55 0.00 -1.02 0.00 0.00 32.46 30.20 2vvy n ARG 147 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40