#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvy n VAL 9 N 0.00 0.00 -2.70 1.59 0.31 -1.26 -5.04 118.33 111.23 2vvy n VAL 9 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 2vvy n VAL 9 Cb 0.00 -1.72 -0.04 0.00 -0.91 0.00 0.00 33.84 31.17 2vvy n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2vvy s PHE 10 N -0.30 3.78 -0.32 3.52 5.36 -1.26 -5.05 117.98 123.71 2vvy s PHE 10 Ca 0.00 1.77 0.01 0.00 -0.96 0.00 0.00 56.93 57.75 2vvy s PHE 10 Cb 0.00 -3.09 0.08 0.00 -0.34 0.00 0.00 43.02 39.67 2vvy s PHE 10 CO 0.00 0.08 0.01 0.45 -1.46 0.00 0.00 175.22 174.30 2vvy s SER 11 N 0.01 4.77 0.47 6.13 0.15 -1.26 -4.89 113.70 119.07 2vvy s SER 11 Ca 0.47 -1.67 -0.24 0.00 0.70 0.00 0.00 55.95 55.21 2vvy s SER 11 Cb -0.24 -1.66 -0.08 0.00 -1.71 0.00 0.00 66.02 62.33 2vvy s SER 11 CO 0.30 -0.31 1.33 -2.65 1.20 0.00 0.00 173.24 173.11 2vvy n PRO 12 N 4.45 1.95 -0.19 5.44 -0.02 -1.26 -4.88 135.00 140.49 2vvy n PRO 12 Ca -0.07 0.70 0.07 0.00 -2.02 0.00 0.00 63.50 62.18 2vvy n PRO 12 Cb 0.42 -2.50 0.36 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.95 0.73 -0.60 -0.52 -0.00 -1.98 -2.60 115.11 112.08 2vvy h GLN 13 Ca -0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 2vvy h GLN 13 Cb 1.29 -0.16 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 2vvy h GLN 13 CO 0.59 0.48 0.00 0.72 -0.00 0.00 0.00 178.83 180.62 2vvy n HIS 14 N -4.49 1.06 -0.28 0.06 8.25 -1.26 -4.64 115.22 113.92 2vvy n HIS 14 Ca 0.11 -0.56 -0.03 0.00 -0.26 0.00 0.00 57.72 56.99 2vvy n HIS 14 Cb 0.26 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.08 0.00 -2.84 0.00 0.00 -1.84 -3.29 103.07 95.02 2vvy h GLY 16 Ca 0.29 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.07 2vvy h GLY 16 CO -0.81 0.00 0.59 0.00 0.00 0.00 0.00 176.54 176.32 2vvy n ASP 18 N -0.96 0.84 -3.68 0.00 9.92 -1.26 -2.59 116.55 118.82 2vvy n ASP 18 Ca 0.10 -0.83 -0.08 0.00 -0.53 0.00 0.00 54.79 53.45 2vvy n ASP 18 Cb 0.44 1.15 -0.02 0.00 -0.64 0.00 0.00 41.12 42.06 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 -3.03 1.44 0.06 -1.24 0.52 -1.26 -3.51 118.95 111.93 2vvy s ARG 19 Ca 0.05 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2vvy s ARG 19 Cb 0.15 0.55 -0.04 0.00 0.52 0.00 0.00 34.95 36.13 2vvy s ARG 19 CO 0.85 -0.65 0.11 -0.51 0.02 0.00 0.00 175.30 175.12 2vvy s LEU 20 N -2.83 3.93 -0.16 2.53 1.43 -1.26 -5.00 118.68 117.33 2vvy s LEU 20 Ca 0.08 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 2vvy s LEU 20 Cb -0.03 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2vvy s LEU 20 CO -0.01 0.19 -0.21 0.41 0.23 0.00 0.00 176.35 176.96 2vvy n THR 21 N 0.55 1.45 -3.73 5.49 -1.04 -1.26 -4.80 114.28 110.93 2vvy n THR 21 Ca -0.09 0.16 -0.27 0.00 -2.04 0.00 0.00 64.05 61.82 2vvy n THR 21 Cb 0.52 -2.35 -0.03 0.00 -1.82 0.00 0.00 70.33 66.65 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 -5.90 6.37 0.03 8.00 0.15 -1.26 -4.97 113.70 116.12 2vvy s SER 22 Ca -0.20 0.35 0.24 0.00 0.70 0.00 0.00 55.95 57.03 2vvy s SER 22 Cb 0.03 -1.99 0.99 0.00 -1.71 0.00 0.00 66.02 63.35 2vvy s SER 22 CO 0.31 -0.04 1.76 0.00 1.20 0.00 0.00 173.24 176.46 2vvy n ILE 23 N -0.75 0.41 0.22 6.45 3.06 -1.26 -2.90 119.36 124.59 2vvy n ILE 23 Ca -0.05 0.07 0.11 0.00 -2.50 0.00 0.00 62.75 60.38 2vvy n ILE 23 Cb 0.54 -0.70 0.29 0.00 0.54 0.00 0.00 39.64 40.31 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 0.56 9.51 3.32 -1.99 -2.87 116.42 124.95 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 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2vvy h ASP 24 CO 0.00 0.12 -0.04 0.47 -1.72 0.00 0.00 179.24 178.07 2vvy n ASP 25 N -3.16 0.12 -0.07 6.45 8.00 -1.14 -4.27 116.55 122.48 2vvy n ASP 25 Ca 0.02 -0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.22 2vvy n ASP 25 Cb 0.51 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.12 1.32 -0.17 2.53 2.07 -1.68 -1.00 116.25 119.44 2vvy h VAL 26 Ca 0.00 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2vvy h VAL 26 Cb 0.33 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2vvy h VAL 26 CO 0.00 0.36 0.01 -0.09 0.02 0.00 0.00 177.57 177.87 2vvy h ARG 27 N 0.10 0.29 -0.13 1.57 2.43 -1.79 -2.17 114.38 114.68 2vvy h ARG 27 Ca 0.04 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2vvy h ARG 27 Cb 0.61 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2vvy h ARG 27 CO 0.03 0.50 0.12 0.37 -1.51 0.00 0.00 179.97 179.48 2vvy h GLN 28 N 0.05 0.00 0.01 0.20 5.75 -1.75 -1.58 115.11 117.79 2vvy h GLN 28 Ca 0.05 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 2vvy h GLN 28 Cb 0.36 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2vvy h GLN 28 CO 0.01 0.00 -0.66 0.00 -2.65 0.00 0.00 178.83 175.52 2vvy h LEU 30 N -0.94 0.71 0.11 0.00 3.38 -1.22 -0.93 115.31 116.43 2vvy h LEU 30 Ca -0.18 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2vvy h LEU 30 Cb 1.20 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2vvy h LEU 30 CO -0.08 0.52 -0.27 0.74 0.09 0.00 0.00 178.44 179.43 2vvy h THR 31 N 0.83 0.40 0.00 0.22 2.02 -1.43 -1.33 112.91 113.62 2vvy h THR 31 Ca 0.22 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.34 2vvy h THR 31 Cb -0.09 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2vvy h THR 31 CO -0.05 0.00 -0.31 -0.33 0.37 0.00 0.00 175.52 175.20 2vvy h GLU 32 N -0.48 0.00 0.23 6.66 5.08 -1.46 -1.38 114.58 123.23 2vvy h GLU 32 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2vvy h GLU 32 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2vvy h GLU 32 CO -0.16 0.31 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.13 2vvy h TYR 33 N 0.00 -0.28 -0.75 4.33 3.20 -0.75 0.69 116.97 123.41 2vvy h TYR 33 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2vvy h TYR 33 Cb 0.56 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 2vvy h TYR 33 CO 0.00 -0.14 0.35 0.82 -1.64 0.00 0.00 178.16 177.55 2vvy h ILE 34 N -0.36 1.24 -0.31 1.81 1.08 -0.85 -0.25 117.51 119.87 2vvy h ILE 34 Ca -0.03 -0.69 -0.05 0.00 -0.39 0.00 0.00 64.86 63.70 2vvy h ILE 34 Cb 0.28 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 2vvy h ILE 34 CO 0.05 0.29 0.01 0.22 -0.69 0.00 0.00 178.15 178.03 2vvy h TYR 35 N 1.06 0.59 -0.39 1.37 3.20 -1.17 -2.95 116.97 118.69 2vvy h TYR 35 Ca 0.26 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2vvy h TYR 35 Cb 0.13 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2vvy h TYR 35 CO 0.01 0.67 0.26 2.35 -1.64 0.00 0.00 178.16 179.81 2vvy h TRP 36 N 0.35 0.40 0.00 -3.82 7.01 -0.47 -1.57 115.95 117.84 2vvy h TRP 36 Ca 0.09 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.10 2vvy h TRP 36 Cb 0.43 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 2vvy h TRP 36 CO 0.03 0.24 0.00 0.43 -2.79 0.00 0.00 178.44 176.35 2vvy n SER 37 N -4.48 0.00 -0.05 2.65 7.64 -0.14 -1.95 113.62 117.28 2vvy n SER 37 Ca 0.04 0.32 -0.13 0.00 1.01 0.00 0.00 58.87 60.10 2vvy n SER 37 Cb 0.15 -0.39 -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 0.41 0.00 6.43 0.02 -1.34 -3.02 113.55 116.05 2vvy h SER 38 Ca 0.00 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2vvy h SER 38 Cb 0.13 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2vvy h SER 38 CO 0.00 0.84 0.00 0.00 -1.14 0.00 0.00 176.83 176.53 2vvy n TYR 39 N -4.51 0.00 0.28 3.45 4.11 -1.19 -4.12 117.16 115.17 2vvy n TYR 39 Ca -0.06 0.00 0.16 0.00 -0.00 0.00 0.00 57.90 58.00 2vvy n TYR 39 Cb 0.39 0.00 0.81 0.00 -0.00 0.00 0.00 39.34 40.55 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 -2.86 119.26 112.16 2vvy h ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vvy h ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vvy h ALA 40 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 179.25 179.35 2vvy h TYR 41 N 0.00 0.00 0.00 0.00 -0.00 -1.62 -1.07 116.97 114.28 2vvy h TYR 41 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.58 2vvy h TYR 41 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.85 2vvy h TYR 41 CO 0.00 0.00 -1.20 0.07 -0.00 0.00 0.00 178.16 177.03 2vvy h ARG 42 N 0.00 0.00 -0.03 0.10 0.11 -1.82 -3.37 114.38 109.37 2vvy h ARG 42 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2vvy h ARG 42 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2vvy h ARG 42 CO 0.00 0.34 0.00 0.09 0.10 0.00 0.00 179.97 180.50 2vvy n ASN 43 N -2.97 1.69 -3.66 0.08 3.02 -1.03 -4.89 115.26 107.51 2vvy n ASN 43 Ca -0.07 -1.36 -0.27 0.00 -0.03 0.00 0.00 54.58 52.85 2vvy n ASN 43 Cb 0.81 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.64 0.34 0.52 3.52 6.06 -0.44 -4.87 118.95 123.44 2vvy s ARG 44 Ca 0.09 -0.33 -0.17 0.00 -2.50 0.00 0.00 55.73 52.83 2vvy s ARG 44 Cb 0.06 -1.87 -0.08 0.00 0.06 0.00 0.00 34.95 33.13 2vvy s ARG 44 CO 0.09 -0.72 0.99 -0.65 -2.50 0.00 0.00 175.30 172.51 2vvy s GLN 45 N 1.99 3.94 -0.34 5.12 -1.52 -1.26 -4.50 119.66 123.10 2vvy s GLN 45 Ca 0.02 0.96 -0.01 0.00 -1.95 0.00 0.00 55.36 54.38 2vvy s GLN 45 Cb -0.16 -2.13 0.12 0.00 -0.22 0.00 0.00 33.01 30.61 2vvy s GLN 45 CO -0.13 -0.28 0.17 0.00 -0.25 0.00 0.00 175.29 174.80 2vvy n ALA 47 N 4.51 2.89 -1.01 0.00 0.00 -1.26 -4.66 120.51 120.98 2vvy n ALA 47 Ca 0.03 -0.23 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 2vvy n ALA 47 Cb 0.39 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.61 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 1.45 -2.63 0.23 0.00 0.00 -1.24 -4.81 105.19 98.19 2vvy n GLY 48 Ca 0.08 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.96 0.00 0.12 1.61 4.20 -1.77 -2.67 115.11 115.64 2vvy h GLN 49 Ca -0.44 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 2vvy h GLN 49 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2vvy h GLN 49 CO 0.34 0.20 -0.06 1.25 -0.67 0.00 0.00 178.83 179.89 2vvy h LEU 50 N 0.00 -0.14 -1.26 1.46 5.85 -1.54 -1.55 115.31 118.14 2vvy h LEU 50 Ca -0.00 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2vvy h LEU 50 Cb 0.72 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 2vvy h LEU 50 CO 0.03 0.09 -0.16 1.88 -0.34 0.00 0.00 178.44 179.94 2vvy h TYR 51 N -0.37 0.00 -0.17 1.25 -1.99 -1.75 -1.43 116.97 112.52 2vvy h TYR 51 Ca -0.02 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 2vvy h TYR 51 Cb 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 2vvy h TYR 51 CO -0.01 0.16 0.01 1.03 -0.00 0.00 0.00 178.16 179.36 2vvy h SER 52 N 0.00 0.28 0.12 3.88 0.87 -1.30 -2.26 113.55 115.14 2vvy h SER 52 Ca -0.00 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2vvy h SER 52 Cb 0.66 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2vvy h SER 52 CO 0.02 0.49 -0.06 0.74 -0.53 0.00 0.00 176.83 177.50 2vvy h THR 53 N 0.05 0.89 -0.34 2.23 2.02 -0.93 -2.62 112.91 114.22 2vvy h THR 53 Ca 0.05 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.28 2vvy h THR 53 Cb 0.34 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 2vvy h THR 53 CO 0.01 0.01 -0.08 -0.07 0.37 0.00 0.00 175.52 175.75 2vvy h LEU 54 N -0.17 -0.30 -1.90 2.58 3.38 -1.29 -1.15 115.31 116.46 2vvy h LEU 54 Ca -0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2vvy h LEU 54 Cb 0.13 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2vvy h LEU 54 CO 0.03 -0.11 0.01 -0.07 0.09 0.00 0.00 178.44 178.39 2vvy h LEU 55 N 0.01 0.06 -0.08 1.67 3.38 -1.34 0.16 115.31 119.17 2vvy h LEU 55 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2vvy h LEU 55 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2vvy h LEU 55 CO -0.35 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 176.71 2vvy n SER 56 N -4.50 0.08 0.08 -0.43 3.41 -0.44 -2.24 113.62 109.58 2vvy n SER 56 Ca -0.02 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.20 2vvy n SER 56 Cb 0.11 -0.54 0.40 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.59 0.48 -0.05 7.33 3.72 0.04 -1.42 117.46 125.97 2vvy n PHE 57 Ca 0.03 0.20 0.09 0.00 -0.05 0.00 0.00 57.45 57.72 2vvy n PHE 57 Cb 0.18 -0.82 0.47 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.46 -0.54 -1.08 2.43 -1.63 -0.69 114.38 113.33 2vvy h ARG 58 Ca 0.00 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2vvy h ARG 58 Cb 0.26 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2vvy h ARG 58 CO 0.00 0.30 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.26 2vvy h ASP 59 N 0.47 0.99 0.21 -3.80 3.32 -1.48 -0.92 116.42 115.21 2vvy h ASP 59 Ca 0.23 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 2vvy h ASP 59 Cb 0.30 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2vvy h ASP 59 CO -0.06 1.09 -0.44 0.44 -1.72 0.00 0.00 179.24 178.55 2vvy h ASP 60 N 0.87 0.30 -0.00 6.45 3.32 -1.50 -1.99 116.42 123.88 2vvy h ASP 60 Ca 0.14 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2vvy h ASP 60 Cb 0.62 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2vvy h ASP 60 CO 0.04 0.71 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 2vvy h ALA 61 N 1.31 0.00 -0.36 3.45 0.00 -0.84 -2.43 119.26 120.40 2vvy h ALA 61 Ca 0.02 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2vvy h ALA 61 Cb 0.87 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2vvy h ALA 61 CO 0.07 -0.38 0.24 0.93 0.00 0.00 0.00 179.25 180.11 2vvy h GLU 62 N -0.22 0.31 -0.12 0.00 4.39 -1.06 0.19 114.58 118.06 2vvy h GLU 62 Ca 0.00 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 2vvy h GLU 62 Cb 0.23 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2vvy h GLU 62 CO 0.00 0.20 -0.52 1.25 -1.16 0.00 0.00 179.01 178.78 2vvy h LEU 63 N 0.32 0.37 0.04 1.33 6.46 -1.15 -1.70 115.31 120.98 2vvy h LEU 63 Ca 0.15 -0.19 -0.36 0.00 -0.12 0.00 0.00 57.88 57.36 2vvy h LEU 63 Cb 0.21 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 2vvy h LEU 63 CO -0.03 0.83 -2.18 0.52 -0.62 0.00 0.00 178.44 176.96 2vvy n VAL 64 N -3.94 1.59 -0.05 1.05 0.31 -0.64 -4.39 118.33 112.25 2vvy n VAL 64 Ca -0.02 -0.69 0.08 0.00 -0.01 0.00 0.00 64.34 63.70 2vvy n VAL 64 Cb 0.57 -1.28 0.18 0.00 -0.91 0.00 0.00 33.84 32.40 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 -3.20 0.51 0.00 3.52 3.01 0.57 -5.02 117.46 116.84 2vvy n PHE 65 Ca -0.34 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 57.73 2vvy n PHE 65 Cb 1.05 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 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 0.91 0.00 -3.52 4.37 5.41 -0.64 -4.20 119.36 121.69 2vvy n ILE 66 Ca 0.15 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.48 2vvy n ILE 66 Cb 0.47 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.33 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 5.87 0.37 4.38 -1.08 -1.26 -4.66 116.67 116.29 2vvy s ASP 67 Ca 0.00 -2.31 0.19 0.00 -0.52 0.00 0.00 52.55 49.90 2vvy s ASP 67 Cb 0.00 -2.03 0.65 0.00 -1.46 0.00 0.00 42.92 40.08 2vvy s ASP 67 CO 0.00 -0.60 1.72 0.16 0.52 0.00 0.00 175.17 176.97 2vvy h ILE 68 N 5.60 0.88 0.50 4.11 3.07 -1.90 -2.29 117.51 127.47 2vvy h ILE 68 Ca -0.10 -1.55 -0.02 0.00 1.55 0.00 0.00 64.86 64.74 2vvy h ILE 68 Cb 1.04 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 39.55 2vvy h ILE 68 CO 0.81 0.37 -0.24 -0.09 -1.05 0.00 0.00 178.15 177.95 2vvy h ARG 69 N 0.00 -0.65 0.00 0.16 9.65 -1.95 0.24 114.38 121.84 2vvy h ARG 69 Ca -0.00 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.88 2vvy h ARG 69 Cb 0.92 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 2vvy h ARG 69 CO 0.05 -0.41 -0.17 0.93 2.80 0.00 0.00 179.97 183.17 2vvy h GLU 70 N -0.72 0.00 0.09 0.20 4.39 -1.98 -2.79 114.58 113.77 2vvy h GLU 70 Ca -0.07 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.35 2vvy h GLU 70 Cb 0.54 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2vvy h GLU 70 CO 0.11 0.17 -1.17 1.25 -1.16 0.00 0.00 179.01 178.22 2vvy h LEU 71 N 0.00 0.74 -0.78 1.33 5.85 -1.17 -2.99 115.31 118.29 2vvy h LEU 71 Ca -0.00 -0.67 -0.07 0.00 0.84 0.00 0.00 57.88 57.98 2vvy h LEU 71 Cb 0.44 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2vvy h LEU 71 CO 0.02 1.49 0.16 0.58 -0.34 0.00 0.00 178.44 180.35 2vvy h VAL 72 N 0.25 1.26 -0.40 1.05 2.07 -0.69 -3.00 116.25 116.78 2vvy h VAL 72 Ca -0.15 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2vvy h VAL 72 Cb 1.83 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2vvy h VAL 72 CO 0.21 0.36 0.18 0.11 0.02 0.00 0.00 177.57 178.46 2vvy h LYS 73 N 1.02 0.58 -1.79 1.57 1.57 -1.55 -3.47 116.57 114.50 2vvy h LYS 73 Ca 0.21 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2vvy h LYS 73 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2vvy h LYS 73 CO 0.00 0.52 0.00 0.09 -0.57 0.00 0.00 179.45 179.49 2vvy n ASN 74 N -4.68 0.87 -3.79 0.86 3.02 -1.13 -5.01 115.26 105.39 2vvy n ASN 74 Ca -0.00 -0.65 -0.28 0.00 -0.03 0.00 0.00 54.58 53.62 2vvy n ASN 74 Cb 0.12 -0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.04 1.55 0.13 3.52 -0.05 -1.26 -5.13 135.00 134.80 2vvy n PRO 76 Ca 0.00 -4.25 0.12 0.00 -0.05 0.00 0.00 63.50 59.32 2vvy n PRO 76 Cb 0.13 -2.17 0.49 0.00 -0.05 0.00 0.00 33.50 31.91 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 2.08 0.78 0.58 0.54 7.02 -1.26 -0.81 117.44 126.38 2vvy n TRP 77 Ca 0.22 0.32 0.11 0.00 -1.02 0.00 0.00 57.50 57.13 2vvy n TRP 77 Cb 0.38 -1.01 0.45 0.00 -2.42 0.00 0.00 31.31 28.70 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 -2.22 0.39 -3.77 -0.99 3.85 -1.26 -4.50 116.55 108.06 2vvy n ASP 78 Ca 0.02 0.57 -0.30 0.00 -0.71 0.00 0.00 54.79 54.37 2vvy n ASP 78 Cb 0.21 -0.66 -0.14 0.00 -1.35 0.00 0.00 41.12 39.17 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 -3.73 3.97 0.15 -1.12 2.15 0.01 -5.01 116.67 113.09 2vvy s ASP 79 Ca 0.08 -2.20 -0.17 0.00 0.43 0.00 0.00 52.55 50.69 2vvy s ASP 79 Cb 0.12 -1.07 0.01 0.00 -0.30 0.00 0.00 42.92 41.67 2vvy s ASP 79 CO 0.42 -0.34 1.79 0.58 -0.17 0.00 0.00 175.17 177.45 2vvy h VAL 80 N 5.91 1.03 -0.62 1.11 2.07 -1.79 -1.63 116.25 122.33 2vvy h VAL 80 Ca -0.07 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.42 2vvy h VAL 80 Cb 0.97 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 2vvy h VAL 80 CO 0.49 0.07 0.25 0.11 0.02 0.00 0.00 177.57 178.51 2vvy h LYS 81 N 0.39 0.43 -0.23 1.57 1.79 -1.94 -1.26 116.57 117.31 2vvy h LYS 81 Ca 0.13 -0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.40 2vvy h LYS 81 Cb 0.01 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 2vvy h LYS 81 CO -0.07 0.28 -0.56 0.22 -1.08 0.00 0.00 179.45 178.24 2vvy h ASP 82 N 0.44 0.78 -0.86 0.86 3.58 -1.83 -2.04 116.42 117.35 2vvy h ASP 82 Ca 0.31 -0.42 0.03 0.00 0.42 0.00 0.00 57.03 57.37 2vvy h ASP 82 Cb 0.38 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 2vvy h ASP 82 CO -0.30 1.18 0.56 0.00 -2.88 0.00 0.00 179.24 177.80 2vvy h ALA 84 N 1.36 1.13 -0.80 0.00 0.00 -0.99 -1.12 119.26 118.84 2vvy h ALA 84 Ca 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vvy h ALA 84 Cb 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2vvy h ALA 84 CO -0.12 0.59 0.48 0.93 0.00 0.00 0.00 179.25 181.13 2vvy h GLU 85 N 0.90 1.09 -0.20 0.00 4.39 -0.61 -1.23 114.58 118.92 2vvy h GLU 85 Ca 0.19 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2vvy h GLU 85 Cb 0.32 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2vvy h GLU 85 CO -0.00 0.77 0.05 0.82 -1.16 0.00 0.00 179.01 179.49 2vvy h ILE 86 N 1.10 1.20 -0.61 3.13 2.04 -0.63 -2.88 117.51 120.86 2vvy h ILE 86 Ca 0.29 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.56 2vvy h ILE 86 Cb -0.04 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 2vvy h ILE 86 CO -0.05 0.20 0.30 0.40 0.00 0.00 0.00 178.15 179.00 2vvy h ILE 87 N 0.13 0.91 0.00 -0.67 2.04 -1.03 -0.88 117.51 118.01 2vvy h ILE 87 Ca 0.06 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2vvy h ILE 87 Cb 0.26 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2vvy h ILE 87 CO 0.00 0.10 0.00 0.54 0.00 0.00 0.00 178.15 178.79 2vvy n ARG 88 N -4.87 0.03 -0.08 2.37 1.74 -0.48 -0.48 116.66 114.90 2vvy n ARG 88 Ca 0.07 0.34 -0.13 0.00 -0.77 0.00 0.00 57.85 57.36 2vvy n ARG 88 Cb 0.19 -1.50 -0.05 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 0.37 -3.36 0.00 -1.99 -0.86 -3.40 116.97 107.99 2vvy h TYR 90 Ca 0.04 -0.25 -0.67 0.00 2.00 0.00 0.00 58.73 59.85 2vvy h TYR 90 Cb 0.77 -0.02 -0.38 0.00 2.00 0.00 0.00 36.73 39.10 2vvy h TYR 90 CO 0.08 1.16 -0.40 0.42 -0.00 0.00 0.00 178.16 179.42 2vvy s ILE 91 N -2.56 3.47 0.02 -2.88 1.01 0.08 -4.97 121.20 115.36 2vvy s ILE 91 Ca -0.15 -3.55 -0.19 0.00 0.00 0.00 0.00 60.65 56.76 2vvy s ILE 91 Cb 0.00 -3.25 -0.23 0.00 0.01 0.00 0.00 42.46 38.99 2vvy s ILE 91 CO 0.78 -0.94 1.12 -0.65 0.00 0.00 0.00 174.94 175.25 2vvy h PRO 92 N 6.31 0.45 -7.16 2.79 0.11 -1.75 -3.37 132.00 129.39 2vvy h PRO 92 Ca 0.05 -0.47 -0.49 0.00 0.11 0.00 0.00 66.00 65.19 2vvy h PRO 92 Cb 0.86 0.13 0.07 0.00 0.11 0.00 0.00 31.00 32.17 2vvy h PRO 92 CO 0.74 1.12 0.39 -0.51 -0.21 0.00 0.00 178.00 179.53 2vvy s ASP 93 N -6.79 5.70 0.17 -2.05 1.01 -1.26 -4.95 116.67 108.50 2vvy s ASP 93 Ca -0.13 1.93 -0.01 0.00 0.71 0.00 0.00 52.55 55.06 2vvy s ASP 93 Cb 0.04 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.45 2vvy s ASP 93 CO 0.83 -1.22 1.41 -0.08 0.21 0.00 0.00 175.17 176.31 2vvy h GLU 94 N 0.64 0.35 -6.47 8.23 4.57 -2.02 -3.39 114.58 116.48 2vvy h GLU 94 Ca -0.48 -0.32 -0.55 0.00 -1.18 0.00 0.00 59.36 56.84 2vvy h GLU 94 Cb 1.23 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.82 2vvy h GLU 94 CO 0.57 0.98 0.99 -1.14 -1.18 0.00 0.00 179.01 179.22 2vvy s GLN 95 N -3.47 3.40 0.16 1.92 0.74 -1.26 -5.02 119.66 116.14 2vvy s GLN 95 Ca -0.05 0.06 -0.00 0.00 0.05 0.00 0.00 55.36 55.42 2vvy s GLN 95 Cb 0.10 -4.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.10 2vvy s GLN 95 CO 0.84 -1.83 0.34 0.15 -0.55 0.00 0.00 175.29 174.24 2vvy s LYS 96 N 5.17 3.50 0.38 1.67 1.02 -1.26 -5.06 119.74 125.14 2vvy s LYS 96 Ca 0.40 -0.40 -0.03 0.00 0.02 0.00 0.00 55.97 55.96 2vvy s LYS 96 Cb -0.08 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 2vvy s LYS 96 CO 0.22 0.46 0.63 0.95 -0.92 0.00 0.00 175.35 176.69 2vvy s THR 97 N -1.77 5.01 0.50 2.17 -4.23 -1.26 -4.91 115.64 111.15 2vvy s THR 97 Ca 0.37 -0.08 0.23 0.00 -1.18 0.00 0.00 61.69 61.03 2vvy s THR 97 Cb -0.11 -3.82 0.40 0.00 1.34 0.00 0.00 72.50 70.30 2vvy s THR 97 CO 0.28 -0.59 1.96 -0.29 -0.54 0.00 0.00 174.62 175.45 2vvy h ILE 98 N 0.76 0.73 -0.10 2.99 2.10 -1.98 0.20 117.51 122.21 2vvy h ILE 98 Ca -0.48 -0.04 -0.24 0.00 1.08 0.00 0.00 64.86 65.18 2vvy h ILE 98 Cb 1.21 0.61 0.01 0.00 -1.09 0.00 0.00 36.82 37.56 2vvy h ILE 98 CO 0.63 0.02 -0.87 -0.09 -1.08 0.00 0.00 178.15 176.76 2vvy h ARG 99 N 0.11 0.76 -0.61 2.19 2.43 -1.99 -2.53 114.38 114.74 2vvy h ARG 99 Ca 0.30 -0.69 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 2vvy h ARG 99 Cb 1.04 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2vvy h ARG 99 CO -0.03 1.28 0.01 0.93 -1.51 0.00 0.00 179.97 180.65 2vvy h GLU 100 N 0.47 1.06 -0.63 0.20 5.08 -1.41 -0.27 114.58 119.09 2vvy h GLU 100 Ca -0.08 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 2vvy h GLU 100 Cb 1.51 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 2vvy h GLU 100 CO 0.18 1.03 0.20 0.82 -1.00 0.00 0.00 179.01 180.23 2vvy h ILE 101 N 0.97 1.25 -0.60 3.13 2.04 -1.16 -1.72 117.51 121.43 2vvy h ILE 101 Ca 0.18 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 2vvy h ILE 101 Cb 0.54 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2vvy h ILE 101 CO 0.03 0.32 0.14 0.28 0.00 0.00 0.00 178.15 178.92 2vvy h SER 102 N 0.91 0.91 -0.58 1.72 0.02 -1.26 -2.39 113.55 112.89 2vvy h SER 102 Ca 0.20 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 2vvy h SER 102 Cb 0.29 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 2vvy h SER 102 CO -0.01 0.91 0.24 0.00 -1.14 0.00 0.00 176.83 176.84 2vvy h ALA 103 N 1.03 0.74 -0.46 3.77 0.00 -0.77 0.22 119.26 123.79 2vvy h ALA 103 Ca 0.19 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2vvy h ALA 103 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2vvy h ALA 103 CO 0.00 -0.15 0.17 0.82 0.00 0.00 0.00 179.25 180.10 2vvy h ILE 104 N 0.45 1.21 -0.44 0.00 2.04 -1.04 0.23 117.51 119.97 2vvy h ILE 104 Ca 0.28 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2vvy h ILE 104 Cb 0.28 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2vvy h ILE 104 CO -0.25 0.25 0.08 0.40 0.00 0.00 0.00 178.15 178.63 2vvy h ILE 105 N 0.61 1.24 -0.38 -0.67 2.04 -1.18 -1.97 117.51 117.20 2vvy h ILE 105 Ca 0.15 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.17 2vvy h ILE 105 Cb 0.21 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2vvy h ILE 105 CO -0.01 0.30 0.18 1.23 0.00 0.00 0.00 178.15 179.86 2vvy h GLY 106 N 0.58 0.51 0.96 5.37 0.00 -0.09 -1.25 103.07 109.14 2vvy h GLY 106 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2vvy h GLY 106 CO 0.01 0.09 0.16 -2.00 0.00 0.00 0.00 176.54 174.79 2vvy h LEU 107 N 0.37 0.66 -0.78 3.11 5.85 -0.49 -2.31 115.31 121.72 2vvy h LEU 107 Ca 0.16 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 2vvy h LEU 107 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2vvy h LEU 107 CO -0.12 0.67 -0.33 0.00 -0.34 0.00 0.00 178.44 178.33 2vvy h ALA 109 N 1.18 0.85 -0.20 0.00 0.00 -1.18 -0.83 119.26 119.07 2vvy h ALA 109 Ca 0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2vvy h ALA 109 Cb 0.80 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2vvy h ALA 109 CO 0.07 0.64 -0.10 -0.92 0.00 0.00 0.00 179.25 178.94 2vvy h TYR 110 N 0.45 0.49 -0.98 0.00 3.20 -1.11 -2.25 116.97 116.77 2vvy h TYR 110 Ca 0.04 -0.12 0.08 0.00 3.14 0.00 0.00 58.73 61.87 2vvy h TYR 110 Cb 0.91 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 2vvy h TYR 110 CO 0.04 0.71 0.63 0.00 -1.64 0.00 0.00 178.16 177.90 2vvy h ALA 111 N 0.70 1.47 -0.36 1.82 0.00 -0.97 0.72 119.26 122.65 2vvy h ALA 111 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2vvy h ALA 111 Cb 0.58 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2vvy h ALA 111 CO 0.03 0.35 -0.20 0.00 0.00 0.00 0.00 179.25 179.42 2vvy h ALA 112 N 1.50 0.97 -0.11 0.00 0.00 -0.99 -1.16 119.26 119.46 2vvy h ALA 112 Ca 0.44 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2vvy h ALA 112 Cb 0.28 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2vvy h ALA 112 CO -0.19 0.60 -0.67 1.15 0.00 0.00 0.00 179.25 180.14 2vvy h THR 113 N 0.61 1.33 -0.54 0.00 2.02 -0.77 -2.32 112.91 113.24 2vvy h THR 113 Ca 0.09 -1.94 0.05 0.00 0.77 0.00 0.00 66.41 65.38 2vvy h THR 113 Cb 0.68 2.15 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 2vvy h THR 113 CO 0.05 0.60 0.27 0.22 0.37 0.00 0.00 175.52 177.03 2vvy h TYR 114 N 0.30 0.50 0.00 3.16 3.20 -0.68 -3.17 116.97 120.28 2vvy h TYR 114 Ca -0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2vvy h TYR 114 Cb 1.31 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2vvy h TYR 114 CO 0.10 0.24 -0.66 0.91 -1.64 0.00 0.00 178.16 177.12 2vvy n TRP 115 N -4.87 0.21 -1.09 -3.82 7.02 -0.46 -4.93 117.44 109.50 2vvy n TRP 115 Ca 0.05 0.06 -0.31 0.00 -1.02 0.00 0.00 57.50 56.29 2vvy n TRP 115 Cb 0.15 -0.39 0.13 0.00 -2.42 0.00 0.00 31.31 28.77 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 -3.31 1.66 0.00 6.99 0.00 -0.87 -4.47 107.32 107.32 2vvy s GLY 116 Ca 0.08 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.05 2vvy s GLY 116 CO 0.73 0.66 0.00 0.61 0.00 0.00 0.00 173.10 175.10 2vvy n GLY 117 N -0.78 1.25 0.07 0.20 0.00 -0.20 -4.93 105.19 100.80 2vvy n GLY 117 Ca 0.09 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 -0.01 1.61 4.81 -1.97 -3.42 114.58 115.60 2vvy h GLU 118 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2vvy h GLU 118 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2vvy h GLU 118 CO 0.00 0.28 -0.01 -0.40 -0.73 0.00 0.00 179.01 178.14 2vvy n ASP 119 N -4.65 1.81 -3.99 1.04 5.68 -1.26 -4.86 116.55 110.32 2vvy n ASP 119 Ca -0.09 -1.40 -0.09 0.00 -0.50 0.00 0.00 54.79 52.71 2vvy n ASP 119 Cb 0.26 0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.16 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 -0.88 0.29 0.84 2.11 -3.43 -1.26 -5.04 115.29 107.93 2vvy s HIS 120 Ca 0.12 -0.55 -0.12 0.00 -0.80 0.00 0.00 55.06 53.71 2vvy s HIS 120 Cb 0.08 -0.21 0.10 0.00 -1.43 0.00 0.00 32.58 31.12 2vvy s HIS 120 CO 0.13 -0.19 1.11 -1.25 -2.00 0.00 0.00 174.74 172.54 2vvy s PRO 121 N -1.58 1.70 0.36 -0.38 0.04 -1.26 -1.03 135.00 132.85 2vvy s PRO 121 Ca -0.15 0.51 0.07 0.00 0.04 0.00 0.00 61.00 61.48 2vvy s PRO 121 Cb -0.09 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 2vvy s PRO 121 CO -0.01 -1.86 -0.03 0.95 0.04 0.00 0.00 177.00 176.09 2vvy s THR 122 N -3.20 1.93 0.26 1.26 -4.23 -1.26 -4.73 115.64 105.68 2vvy s THR 122 Ca 0.62 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2vvy s THR 122 Cb -0.15 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 71.15 2vvy s THR 122 CO 0.54 -0.11 1.82 0.28 -0.54 0.00 0.00 174.62 176.61 2vvy h SER 123 N 1.96 0.77 -0.32 3.99 0.02 -1.99 -1.37 113.55 116.60 2vvy h SER 123 Ca -0.42 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.45 2vvy h SER 123 Cb 1.24 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2vvy h SER 123 CO 0.74 0.41 -0.32 0.78 -1.14 0.00 0.00 176.83 177.31 2vvy h ASN 124 N 0.86 0.84 -0.29 3.07 2.35 -1.89 -1.67 115.58 118.85 2vvy h ASN 124 Ca 0.45 -0.47 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2vvy h ASN 124 Cb 0.45 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2vvy h ASN 124 CO -0.27 1.14 -0.06 0.77 -1.65 0.00 0.00 177.43 177.36 2vvy h SER 125 N 0.56 0.66 -0.44 5.81 4.64 -1.66 -2.19 113.55 120.93 2vvy h SER 125 Ca 0.05 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2vvy h SER 125 Cb 0.90 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 2vvy h SER 125 CO 0.08 0.77 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.73 2vvy h LEU 126 N 0.63 0.76 -2.17 5.97 3.38 -1.22 -3.00 115.31 119.67 2vvy h LEU 126 Ca 0.12 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2vvy h LEU 126 Cb 0.49 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2vvy h LEU 126 CO 0.03 0.89 0.02 0.78 0.09 0.00 0.00 178.44 180.24 2vvy h ASN 127 N 0.62 0.00 -0.81 -0.43 2.35 -0.73 0.46 115.58 117.04 2vvy h ASN 127 Ca 0.12 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2vvy h ASN 127 Cb 0.51 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 2vvy h ASN 127 CO 0.02 0.00 0.53 0.00 -1.65 0.00 0.00 177.43 176.34 2vvy h ALA 128 N 1.99 1.44 -0.72 -0.83 0.00 -1.26 0.69 119.26 120.56 2vvy h ALA 128 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2vvy h ALA 128 Cb 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2vvy h ALA 128 CO -0.00 0.52 0.34 1.25 0.00 0.00 0.00 179.25 181.36 2vvy h LEU 129 N 1.08 0.95 -0.10 0.00 5.85 -0.97 -3.08 115.31 119.04 2vvy h LEU 129 Ca 0.30 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 2vvy h LEU 129 Cb -0.10 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 2vvy h LEU 129 CO -0.07 0.82 -0.63 -0.26 -0.34 0.00 0.00 178.44 177.96 2vvy h PHE 130 N 1.01 0.00 0.00 1.25 0.04 -1.14 -2.80 116.94 115.30 2vvy h PHE 130 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2vvy h PHE 130 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2vvy h PHE 130 CO 0.01 0.63 0.00 0.28 -0.60 0.00 0.00 178.31 178.63 2vvy n VAL 131 N -3.30 0.05 0.00 -0.55 0.31 0.15 -1.05 118.33 113.94 2vvy n VAL 131 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2vvy n VAL 131 Cb 0.77 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 0.64 0.00 -0.40 7.52 4.77 -1.06 -4.73 117.00 123.74 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 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 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 -0.21 -4.77 120.64 122.96 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 -0.97 0.00 0.00 -0.06 0.00 0.00 31.44 30.41 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 0.28 0.00 0.00 4.31 4.77 -1.26 -5.13 117.00 119.97 2vvy n LEU 136 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 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 -0.46 -1.33 0.00 0.00 177.39 175.90 2vvy n ASN 137 N 0.00 2.21 0.08 -1.43 0.23 -1.26 -5.00 115.26 110.09 2vvy n ASN 137 Ca 0.00 -2.59 0.00 0.00 -0.53 0.00 0.00 54.58 51.47 2vvy n ASN 137 Cb 0.00 -0.34 0.31 0.00 -2.08 0.00 0.00 39.78 37.67 2vvy n ASN 137 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2vvy h TYR 138 N 0.22 0.34 -0.01 -2.53 -0.00 -2.00 -1.99 116.97 111.00 2vvy h TYR 138 Ca -0.28 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.73 58.32 2vvy h TYR 138 Cb 1.23 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 37.86 2vvy h TYR 138 CO 0.00 0.50 -0.36 0.28 -0.00 0.00 0.00 178.16 178.58 2vvy h VAL 139 N 0.29 1.26 -0.16 -0.90 2.07 -2.00 -2.40 116.25 114.41 2vvy h VAL 139 Ca 0.05 -1.25 -0.16 0.00 0.82 0.00 0.00 66.70 66.16 2vvy h VAL 139 Cb 0.51 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2vvy h VAL 139 CO 0.03 0.36 -0.56 0.44 0.02 0.00 0.00 177.57 177.87 2vvy h ASP 140 N 0.02 0.54 0.23 0.57 3.32 -1.76 -3.08 116.42 116.27 2vvy h ASP 140 Ca -0.00 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 2vvy h ASP 140 Cb 0.65 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2vvy h ASP 140 CO 0.05 0.99 -0.28 1.88 -1.72 0.00 0.00 179.24 180.15 2vvy h TYR 141 N 0.37 0.10 -0.20 4.55 0.05 -1.07 -2.10 116.97 118.68 2vvy h TYR 141 Ca 0.01 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.67 2vvy h TYR 141 Cb 1.09 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 2vvy h TYR 141 CO 0.04 0.37 -0.31 -0.91 -1.05 0.00 0.00 178.16 176.30 2vvy h ASN 142 N 0.08 0.41 0.04 3.88 4.21 -1.40 -2.30 115.58 120.51 2vvy h ASN 142 Ca 0.01 -0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.37 2vvy h ASN 142 Cb 0.55 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2vvy h ASN 142 CO 0.04 0.71 -0.02 0.40 -1.29 0.00 0.00 177.43 177.27 2vvy h ILE 143 N 0.35 1.16 0.00 2.81 2.04 -1.45 -3.26 117.51 119.16 2vvy h ILE 143 Ca 0.05 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.25 2vvy h ILE 143 Cb 0.72 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2vvy h ILE 143 CO 0.06 0.36 0.00 -0.29 0.00 0.00 0.00 178.15 178.28 2vvy h ILE 144 N -0.92 0.00 -0.16 -0.67 6.09 -1.46 -0.26 117.51 120.13 2vvy h ILE 144 Ca -0.01 -0.27 0.05 0.00 -1.37 0.00 0.00 64.86 63.26 2vvy h ILE 144 Cb 0.64 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 39.12 2vvy h ILE 144 CO 0.01 0.00 0.13 0.15 -3.07 0.00 0.00 178.15 175.37 2vvy h PHE 145 N 0.00 0.00 0.00 2.19 3.57 -1.45 -1.94 116.94 119.32 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 0.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.03 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 -4.22 0.12 -1.24 1.11 5.12 -0.11 -2.51 116.66 114.94 2vvy n ARG 146 Ca 0.01 0.30 -0.28 0.00 -1.93 0.00 0.00 57.85 55.95 2vvy n ARG 146 Cb 0.26 -1.71 0.05 0.00 -1.16 0.00 0.00 32.46 29.90 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 -1.94 2.33 0.00 5.56 1.74 -0.73 -5.18 116.66 118.44 2vvy n ARG 147 Ca 0.04 -2.55 0.14 0.00 -0.77 0.00 0.00 57.85 54.71 2vvy n ARG 147 Cb 0.25 -2.01 0.58 0.00 -1.02 0.00 0.00 32.46 30.26 2vvy n ARG 147 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40