#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 3.02 0.07 1.59 1.01 -1.26 -5.07 120.40 119.76 2vvy s VAL 9 Ca 0.00 -1.70 -0.37 0.00 0.00 0.00 0.00 61.98 59.91 2vvy s VAL 9 Cb 0.00 -2.48 -0.18 0.00 0.00 0.00 0.00 36.38 33.73 2vvy s VAL 9 CO 0.00 -0.09 1.18 0.33 0.00 0.00 0.00 175.10 176.53 2vvy n PHE 10 N 0.17 1.07 -3.95 5.22 7.35 -1.26 -4.94 117.46 121.12 2vvy n PHE 10 Ca -0.12 0.82 -0.33 0.00 -0.76 0.00 0.00 57.45 57.06 2vvy n PHE 10 Cb 0.55 -2.22 -0.14 0.00 0.35 0.00 0.00 39.48 38.02 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 0.18 4.84 0.47 -2.13 0.15 -1.26 -4.92 113.70 111.03 2vvy s SER 11 Ca 0.85 -1.73 -0.24 0.00 0.70 0.00 0.00 55.95 55.53 2vvy s SER 11 Cb -1.06 -1.68 -0.08 0.00 -1.71 0.00 0.00 66.02 61.49 2vvy s SER 11 CO 0.52 -0.34 1.29 -2.65 1.20 0.00 0.00 173.24 173.26 2vvy n PRO 12 N 4.47 1.85 -0.11 5.44 -0.02 -1.26 -4.88 135.00 140.49 2vvy n PRO 12 Ca -0.06 0.66 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 2vvy n PRO 12 Cb 0.42 -2.45 0.39 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.84 0.64 -0.57 -0.52 -0.00 -1.97 -2.52 115.11 112.01 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 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.63 2vvy h GLN 13 CO 0.59 0.42 0.00 0.72 -0.00 0.00 0.00 178.83 180.56 2vvy n HIS 14 N -4.47 1.06 -0.25 0.06 8.25 -1.26 -4.64 115.22 113.97 2vvy n HIS 14 Ca 0.08 -0.58 -0.04 0.00 -0.26 0.00 0.00 57.72 56.92 2vvy n HIS 14 Cb 0.18 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.12 0.00 -2.71 0.00 0.00 -1.84 -3.29 103.07 95.12 2vvy h GLY 16 Ca 0.27 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.04 2vvy h GLY 16 CO -0.76 0.00 0.57 0.00 0.00 0.00 0.00 176.54 176.34 2vvy n ASP 18 N -1.12 0.84 -3.72 0.00 9.92 -1.26 -2.54 116.55 118.67 2vvy n ASP 18 Ca 0.11 -0.82 -0.08 0.00 -0.53 0.00 0.00 54.79 53.47 2vvy n ASP 18 Cb 0.45 1.14 -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 -2.97 1.52 0.05 -1.24 0.52 -1.26 -3.59 118.95 111.98 2vvy s ARG 19 Ca 0.05 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.50 2vvy s ARG 19 Cb 0.15 0.56 -0.04 0.00 0.52 0.00 0.00 34.95 36.14 2vvy s ARG 19 CO 0.83 -0.69 0.10 -0.51 0.02 0.00 0.00 175.30 175.04 2vvy s LEU 20 N -2.86 3.90 -0.16 2.53 1.43 -1.26 -5.00 118.68 117.27 2vvy s LEU 20 Ca 0.09 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 2vvy s LEU 20 Cb -0.04 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 2vvy s LEU 20 CO 0.01 0.20 -0.20 0.41 0.23 0.00 0.00 176.35 177.00 2vvy n THR 21 N 0.65 1.45 -3.69 5.49 -1.04 -1.26 -4.80 114.28 111.07 2vvy n THR 21 Ca -0.09 0.17 -0.27 0.00 -2.04 0.00 0.00 64.05 61.81 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 -5.89 6.38 0.01 8.00 0.15 -1.26 -4.97 113.70 116.13 2vvy s SER 22 Ca -0.20 0.40 0.24 0.00 0.70 0.00 0.00 55.95 57.09 2vvy s SER 22 Cb 0.03 -2.01 1.01 0.00 -1.71 0.00 0.00 66.02 63.34 2vvy s SER 22 CO 0.30 -0.05 1.76 0.00 1.20 0.00 0.00 173.24 176.45 2vvy n ILE 23 N -0.69 0.38 0.22 6.45 3.06 -1.26 -2.89 119.36 124.62 2vvy n ILE 23 Ca -0.05 0.08 0.11 0.00 -2.50 0.00 0.00 62.75 60.39 2vvy n ILE 23 Cb 0.54 -0.69 0.28 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 0.51 9.51 3.32 -1.99 -2.87 116.42 124.91 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 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2vvy h ASP 24 CO 0.00 0.13 -0.04 0.47 -1.72 0.00 0.00 179.24 178.08 2vvy n ASP 25 N -3.16 0.15 -0.06 6.45 8.00 -1.14 -4.28 116.55 122.51 2vvy n ASP 25 Ca 0.02 -0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.13 2vvy n ASP 25 Cb 0.51 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 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 0.17 1.33 -0.51 2.53 2.07 -1.68 -1.10 116.25 119.06 2vvy h VAL 26 Ca 0.00 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 2vvy h VAL 26 Cb 0.31 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2vvy h VAL 26 CO 0.00 0.36 0.04 -0.09 0.02 0.00 0.00 177.57 177.91 2vvy h ARG 27 N 0.03 0.86 -0.69 1.57 1.12 -1.79 -2.21 114.38 113.27 2vvy h ARG 27 Ca 0.03 -0.25 -0.04 0.00 -1.11 0.00 0.00 59.98 58.61 2vvy h ARG 27 Cb 0.62 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 30.46 2vvy h ARG 27 CO 0.03 0.87 0.28 0.37 -3.11 0.00 0.00 179.97 178.42 2vvy h GLN 28 N 0.73 1.01 -0.01 0.20 5.75 -1.77 -2.30 115.11 118.73 2vvy h GLN 28 Ca 0.15 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2vvy h GLN 28 Cb 0.45 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 2vvy h GLN 28 CO 0.02 0.82 -0.02 0.00 -2.65 0.00 0.00 178.83 176.99 2vvy h LEU 30 N -0.50 0.94 0.11 0.00 3.38 -1.41 -0.89 115.31 116.95 2vvy h LEU 30 Ca 0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2vvy h LEU 30 Cb 0.58 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2vvy h LEU 30 CO 0.00 0.79 -0.20 0.74 0.09 0.00 0.00 178.44 179.87 2vvy h THR 31 N 1.01 0.56 0.00 0.22 2.02 -1.41 -1.57 112.91 113.73 2vvy h THR 31 Ca 0.25 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.35 2vvy h THR 31 Cb 0.10 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2vvy h THR 31 CO -0.03 0.00 -0.40 -0.33 0.37 0.00 0.00 175.52 175.12 2vvy h GLU 32 N -0.38 0.00 0.17 6.66 5.08 -1.24 -1.37 114.58 123.50 2vvy h GLU 32 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2vvy h GLU 32 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2vvy h GLU 32 CO -0.10 0.40 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.31 2vvy h TYR 33 N 0.00 -0.21 -0.55 4.33 3.20 -0.89 0.41 116.97 123.27 2vvy h TYR 33 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2vvy h TYR 33 Cb 0.72 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2vvy h TYR 33 CO 0.00 -0.12 0.10 0.82 -1.64 0.00 0.00 178.16 177.32 2vvy h ILE 34 N -0.23 1.24 -0.32 1.81 1.08 -0.91 -0.58 117.51 119.59 2vvy h ILE 34 Ca -0.02 -0.89 -0.05 0.00 -0.39 0.00 0.00 64.86 63.51 2vvy h ILE 34 Cb 0.18 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2vvy h ILE 34 CO 0.04 0.33 -0.00 0.22 -0.69 0.00 0.00 178.15 178.04 2vvy h TYR 35 N 0.82 0.62 -0.35 1.37 3.20 -1.18 -3.02 116.97 118.43 2vvy h TYR 35 Ca 0.17 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2vvy h TYR 35 Cb 0.35 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2vvy h TYR 35 CO 0.02 0.69 0.24 2.35 -1.64 0.00 0.00 178.16 179.82 2vvy h TRP 36 N 0.37 0.43 0.00 -3.82 7.01 -0.55 -1.26 115.95 118.13 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 0.44 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 2vvy h TRP 36 CO 0.04 0.27 0.00 0.43 -2.79 0.00 0.00 178.44 176.38 2vvy n SER 37 N -4.48 0.00 -0.04 2.65 7.64 -0.26 -1.84 113.62 117.29 2vvy n SER 37 Ca 0.02 0.27 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 2vvy n SER 37 Cb 0.08 -0.36 -0.08 0.00 -1.01 0.00 0.00 64.21 62.84 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 0.44 0.00 6.43 0.02 -1.29 -2.99 113.55 116.16 2vvy h SER 38 Ca 0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2vvy h SER 38 Cb 0.11 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2vvy h SER 38 CO 0.00 0.95 0.00 0.00 -1.14 0.00 0.00 176.83 176.64 2vvy n TYR 39 N -4.43 0.00 0.30 3.45 4.11 -1.20 -3.95 117.16 115.44 2vvy n TYR 39 Ca -0.07 0.00 0.16 0.00 -0.00 0.00 0.00 57.90 57.99 2vvy n TYR 39 Cb 0.47 0.00 0.73 0.00 -0.00 0.00 0.00 39.34 40.54 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 -1.75 -2.80 119.26 112.23 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 -0.02 0.00 -0.00 -1.58 -1.85 116.97 113.52 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 0.26 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.99 2vvy h TYR 41 CO 0.00 0.00 -0.25 2.89 -0.00 0.00 0.00 178.16 180.80 2vvy n ARG 42 N -2.82 1.45 -0.04 0.10 1.85 -1.06 -4.17 116.66 111.98 2vvy n ARG 42 Ca -0.00 -1.10 0.00 0.00 -1.00 0.00 0.00 57.85 55.76 2vvy n ARG 42 Cb 0.21 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 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 0.18 0.31 -3.37 2.89 4.13 -1.07 -4.98 115.26 113.35 2vvy n ASN 43 Ca 0.12 -1.25 -0.13 0.00 1.68 0.00 0.00 54.58 55.00 2vvy n ASN 43 Cb 0.46 -0.02 -0.08 0.00 -1.54 0.00 0.00 39.78 38.59 2vvy n ASN 43 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2vvy s ARG 44 N -0.18 0.35 0.27 3.52 6.06 -0.72 -4.81 118.95 123.44 2vvy s ARG 44 Ca 0.00 0.06 -0.12 0.00 -2.50 0.00 0.00 55.73 53.17 2vvy s ARG 44 Cb 0.00 -0.55 -0.08 0.00 0.06 0.00 0.00 34.95 34.38 2vvy s ARG 44 CO 0.00 -0.96 0.64 -0.65 -2.50 0.00 0.00 175.30 171.83 2vvy s GLN 45 N 2.45 3.91 -0.34 5.12 -1.52 -1.26 -4.46 119.66 123.56 2vvy s GLN 45 Ca 0.10 0.48 0.01 0.00 -1.95 0.00 0.00 55.36 53.99 2vvy s GLN 45 Cb -0.14 -2.57 0.11 0.00 -0.22 0.00 0.00 33.01 30.19 2vvy s GLN 45 CO -0.28 0.26 0.11 0.00 -0.25 0.00 0.00 175.29 175.12 2vvy n ALA 47 N 4.46 2.92 -1.03 0.00 0.00 -1.26 -4.66 120.51 120.94 2vvy n ALA 47 Ca 0.01 -0.22 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 2vvy n ALA 47 Cb 0.41 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.64 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 1.49 -2.70 0.23 0.00 0.00 -1.24 -4.81 105.19 98.17 2vvy n GLY 48 Ca 0.06 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.90 0.00 0.07 1.61 4.20 -1.78 -2.68 115.11 115.63 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 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2vvy h GLN 49 CO 0.34 0.18 -0.03 1.25 -0.67 0.00 0.00 178.83 179.90 2vvy h LEU 50 N 0.00 -0.08 -1.10 1.46 5.85 -1.55 -1.50 115.31 118.39 2vvy h LEU 50 Ca -0.00 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2vvy h LEU 50 Cb 0.68 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2vvy h LEU 50 CO 0.02 0.15 -0.15 1.88 -0.34 0.00 0.00 178.44 180.01 2vvy h TYR 51 N -0.31 0.00 -0.20 1.25 -1.99 -1.74 -1.50 116.97 112.47 2vvy h TYR 51 Ca -0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2vvy h TYR 51 Cb 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 2vvy h TYR 51 CO -0.00 0.15 0.03 1.03 -0.00 0.00 0.00 178.16 179.37 2vvy h SER 52 N 0.00 0.32 0.03 3.88 0.87 -1.30 -2.14 113.55 115.20 2vvy h SER 52 Ca -0.00 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2vvy h SER 52 Cb 0.71 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2vvy h SER 52 CO 0.02 0.50 -0.01 0.74 -0.53 0.00 0.00 176.83 177.55 2vvy h THR 53 N 0.12 1.03 -0.33 2.23 2.02 -0.88 -2.65 112.91 114.45 2vvy h THR 53 Ca 0.06 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.15 2vvy h THR 53 Cb 0.32 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 2vvy h THR 53 CO 0.00 0.04 -0.09 -0.07 0.37 0.00 0.00 175.52 175.77 2vvy h LEU 54 N -0.10 -0.34 -1.86 2.58 3.38 -1.30 -1.37 115.31 116.30 2vvy h LEU 54 Ca -0.00 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2vvy h LEU 54 Cb 0.09 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2vvy h LEU 54 CO 0.01 -0.12 0.11 -0.07 0.09 0.00 0.00 178.44 178.45 2vvy h LEU 55 N -0.02 0.17 0.00 1.67 3.38 -1.33 0.06 115.31 119.24 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 0.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2vvy h LEU 55 CO -0.35 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 176.76 2vvy n SER 56 N -4.51 0.00 0.13 -0.43 3.41 -0.53 -2.33 113.62 109.37 2vvy n SER 56 Ca -0.00 0.41 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 2vvy n SER 56 Cb 0.09 -0.46 0.50 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.46 0.80 0.00 7.33 3.72 0.01 -1.50 117.46 126.37 2vvy n PHE 57 Ca 0.04 0.33 0.10 0.00 -0.05 0.00 0.00 57.45 57.87 2vvy n PHE 57 Cb 0.16 -1.03 0.53 0.00 -0.94 0.00 0.00 39.48 38.20 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 0.32 -0.55 -1.08 2.43 -1.64 -0.35 114.38 113.51 2vvy h ARG 58 Ca 0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2vvy h ARG 58 Cb 0.32 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2vvy h ARG 58 CO 0.00 0.21 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.14 2vvy h ASP 59 N 0.33 1.02 0.33 -3.80 3.32 -1.51 -1.27 116.42 114.84 2vvy h ASP 59 Ca 0.20 -0.33 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 2vvy h ASP 59 Cb 0.36 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2vvy h ASP 59 CO -0.05 1.12 -0.53 0.44 -1.72 0.00 0.00 179.24 178.51 2vvy h ASP 60 N 0.92 0.25 0.10 6.45 3.32 -1.41 -1.97 116.42 124.07 2vvy h ASP 60 Ca 0.15 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2vvy h ASP 60 Cb 0.66 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2vvy h ASP 60 CO 0.05 0.73 -0.05 0.00 -1.72 0.00 0.00 179.24 178.25 2vvy h ALA 61 N 1.27 -0.13 -0.63 3.45 0.00 -0.84 -2.43 119.26 119.95 2vvy h ALA 61 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2vvy h ALA 61 Cb 1.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2vvy h ALA 61 CO 0.08 -0.46 0.42 0.93 0.00 0.00 0.00 179.25 180.22 2vvy h GLU 62 N -0.36 0.51 -0.16 0.00 4.39 -1.16 0.27 114.58 118.07 2vvy h GLU 62 Ca -0.01 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 2vvy h GLU 62 Cb 0.30 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2vvy h GLU 62 CO 0.02 0.34 -0.46 1.25 -1.16 0.00 0.00 179.01 179.00 2vvy h LEU 63 N 0.53 0.42 0.07 1.33 6.46 -1.18 -1.44 115.31 121.49 2vvy h LEU 63 Ca 0.28 -0.20 -0.36 0.00 -0.12 0.00 0.00 57.88 57.49 2vvy h LEU 63 Cb 0.43 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 2vvy h LEU 63 CO -0.09 0.83 -2.08 0.52 -0.62 0.00 0.00 178.44 177.00 2vvy n VAL 64 N -3.99 1.67 0.10 1.05 0.31 -0.66 -4.39 118.33 112.43 2vvy n VAL 64 Ca -0.02 -0.67 0.09 0.00 -0.01 0.00 0.00 64.34 63.72 2vvy n VAL 64 Cb 0.53 -1.48 0.17 0.00 -0.91 0.00 0.00 33.84 32.15 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 -3.32 0.44 0.00 3.52 3.01 0.87 -5.02 117.46 116.96 2vvy n PHE 65 Ca -0.32 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 57.82 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 1.02 0.00 -3.54 4.37 5.41 -0.54 -4.23 119.36 121.85 2vvy n ILE 66 Ca 0.15 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.49 2vvy n ILE 66 Cb 0.49 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.34 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 5.83 0.35 4.38 -1.08 -1.26 -4.65 116.67 116.24 2vvy s ASP 67 Ca 0.00 -2.33 0.17 0.00 -0.52 0.00 0.00 52.55 49.87 2vvy s ASP 67 Cb 0.00 -2.02 0.61 0.00 -1.46 0.00 0.00 42.92 40.05 2vvy s ASP 67 CO 0.00 -0.59 1.71 0.16 0.52 0.00 0.00 175.17 176.97 2vvy h ILE 68 N 5.60 1.03 0.52 4.11 3.07 -1.90 -2.27 117.51 127.67 2vvy h ILE 68 Ca -0.09 -1.64 -0.03 0.00 1.55 0.00 0.00 64.86 64.65 2vvy h ILE 68 Cb 1.03 1.96 0.01 0.00 -0.27 0.00 0.00 36.82 39.55 2vvy h ILE 68 CO 0.80 0.42 -0.25 -0.09 -1.05 0.00 0.00 178.15 177.99 2vvy h ARG 69 N 0.00 -0.67 0.00 0.16 9.65 -1.95 0.37 114.38 121.94 2vvy h ARG 69 Ca -0.00 0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.88 2vvy h ARG 69 Cb 0.93 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 2vvy h ARG 69 CO 0.06 -0.43 -0.20 1.49 2.80 0.00 0.00 179.97 183.68 2vvy h GLU 70 N -0.73 0.00 -0.04 0.20 4.57 -1.98 -2.76 114.58 113.84 2vvy h GLU 70 Ca -0.07 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.86 2vvy h GLU 70 Cb 0.55 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 2vvy h GLU 70 CO 0.12 0.20 -0.95 1.25 -1.18 0.00 0.00 179.01 178.45 2vvy h LEU 71 N 0.00 0.85 -0.87 1.64 5.85 -1.15 -2.94 115.31 118.69 2vvy h LEU 71 Ca -0.00 -0.65 -0.06 0.00 0.84 0.00 0.00 57.88 58.01 2vvy h LEU 71 Cb 0.42 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2vvy h LEU 71 CO 0.03 1.44 0.15 0.58 -0.34 0.00 0.00 178.44 180.30 2vvy h VAL 72 N 0.41 1.25 -0.40 1.05 2.07 -0.65 -2.92 116.25 117.05 2vvy h VAL 72 Ca -0.10 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 2vvy h VAL 72 Cb 1.59 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2vvy h VAL 72 CO 0.18 0.34 0.13 0.11 0.02 0.00 0.00 177.57 178.36 2vvy h LYS 73 N 0.95 0.61 -1.72 1.57 1.57 -1.53 -3.47 116.57 114.54 2vvy h LYS 73 Ca 0.20 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2vvy h LYS 73 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2vvy h LYS 73 CO 0.00 0.60 0.00 0.09 -0.57 0.00 0.00 179.45 179.57 2vvy n ASN 74 N -4.62 0.86 -3.76 0.86 3.02 -1.11 -5.01 115.26 105.50 2vvy n ASN 74 Ca -0.00 -0.58 -0.28 0.00 -0.03 0.00 0.00 54.58 53.69 2vvy n ASN 74 Cb 0.17 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.88 1.51 0.14 3.52 -0.05 -1.26 -5.12 135.00 134.62 2vvy n PRO 76 Ca 0.00 -4.21 0.12 0.00 -0.05 0.00 0.00 63.50 59.36 2vvy n PRO 76 Cb 0.14 -2.14 0.52 0.00 -0.05 0.00 0.00 33.50 31.97 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 0.83 0.57 0.54 7.02 -1.26 -0.83 117.44 126.39 2vvy n TRP 77 Ca 0.23 0.35 0.11 0.00 -1.02 0.00 0.00 57.50 57.16 2vvy n TRP 77 Cb 0.38 -1.06 0.45 0.00 -2.42 0.00 0.00 31.31 28.66 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 -2.28 0.43 -3.78 -0.99 3.85 -1.26 -4.48 116.55 108.04 2vvy n ASP 78 Ca 0.01 0.58 -0.30 0.00 -0.71 0.00 0.00 54.79 54.37 2vvy n ASP 78 Cb 0.19 -0.68 -0.14 0.00 -1.35 0.00 0.00 41.12 39.14 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 -3.80 3.98 0.14 -1.12 2.15 -0.01 -5.00 116.67 113.01 2vvy s ASP 79 Ca 0.08 -2.26 -0.17 0.00 0.43 0.00 0.00 52.55 50.63 2vvy s ASP 79 Cb 0.12 -1.10 -0.00 0.00 -0.30 0.00 0.00 42.92 41.63 2vvy s ASP 79 CO 0.43 -0.33 1.79 0.58 -0.17 0.00 0.00 175.17 177.47 2vvy h VAL 80 N 5.87 1.04 -0.65 1.11 2.07 -1.78 -1.53 116.25 122.38 2vvy h VAL 80 Ca -0.06 -0.14 0.10 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 31.27 2vvy h VAL 80 CO 0.50 0.07 0.27 0.11 0.02 0.00 0.00 177.57 178.54 2vvy h LYS 81 N 0.40 0.45 -0.20 1.57 1.79 -1.94 -1.11 116.57 117.52 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 30.54 2vvy h LYS 81 CO -0.06 0.30 -0.58 0.22 -1.08 0.00 0.00 179.45 178.25 2vvy h ASP 82 N 0.46 0.71 -0.71 0.86 3.58 -1.81 -2.12 116.42 117.40 2vvy h ASP 82 Ca 0.33 -0.40 0.03 0.00 0.42 0.00 0.00 57.03 57.41 2vvy h ASP 82 Cb 0.40 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 2vvy h ASP 82 CO -0.30 1.14 0.45 0.00 -2.88 0.00 0.00 179.24 177.64 2vvy h ALA 84 N 1.30 1.30 -0.72 0.00 0.00 -0.96 -1.19 119.26 118.99 2vvy h ALA 84 Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2vvy h ALA 84 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2vvy h ALA 84 CO -0.10 0.52 0.30 0.93 0.00 0.00 0.00 179.25 180.90 2vvy h GLU 85 N 0.88 1.07 -0.25 0.00 4.39 -0.64 -1.39 114.58 118.64 2vvy h GLU 85 Ca 0.21 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2vvy h GLU 85 Cb 0.15 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2vvy h GLU 85 CO -0.02 0.87 0.07 0.82 -1.16 0.00 0.00 179.01 179.59 2vvy h ILE 86 N 1.03 1.21 -0.65 3.13 2.04 -0.61 -2.80 117.51 120.85 2vvy h ILE 86 Ca 0.24 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2vvy h ILE 86 Cb 0.19 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 2vvy h ILE 86 CO -0.02 0.21 0.35 0.40 0.00 0.00 0.00 178.15 179.10 2vvy h ILE 87 N 0.23 0.95 0.00 -0.67 2.04 -1.05 -0.87 117.51 118.15 2vvy h ILE 87 Ca 0.08 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2vvy h ILE 87 Cb 0.26 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2vvy h ILE 87 CO -0.00 0.12 0.00 0.54 0.00 0.00 0.00 178.15 178.81 2vvy n ARG 88 N -4.81 0.08 -0.09 2.37 1.74 -0.54 -0.37 116.66 115.04 2vvy n ARG 88 Ca 0.08 0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 57.29 2vvy n ARG 88 Cb 0.18 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.37 0.37 -3.35 0.00 -1.99 -0.80 -3.40 116.97 108.18 2vvy h TYR 90 Ca 0.04 -0.27 -0.67 0.00 2.00 0.00 0.00 58.73 59.83 2vvy h TYR 90 Cb 0.83 -0.01 -0.38 0.00 2.00 0.00 0.00 36.73 39.17 2vvy h TYR 90 CO 0.07 1.24 -0.40 0.42 -0.00 0.00 0.00 178.16 179.50 2vvy s ILE 91 N -2.37 3.45 0.01 -2.88 1.01 -0.14 -4.97 121.20 115.31 2vvy s ILE 91 Ca -0.16 -3.58 -0.20 0.00 0.00 0.00 0.00 60.65 56.71 2vvy s ILE 91 Cb 0.00 -3.24 -0.21 0.00 0.01 0.00 0.00 42.46 39.02 2vvy s ILE 91 CO 0.78 -0.94 1.14 -0.65 0.00 0.00 0.00 174.94 175.27 2vvy h PRO 92 N 6.28 0.39 -7.14 2.79 0.11 -1.75 -3.37 132.00 129.30 2vvy h PRO 92 Ca 0.05 -0.36 -0.50 0.00 0.11 0.00 0.00 66.00 65.31 2vvy h PRO 92 Cb 0.86 0.09 0.07 0.00 0.11 0.00 0.00 31.00 32.13 2vvy h PRO 92 CO 0.74 1.02 0.40 -0.51 -0.21 0.00 0.00 178.00 179.44 2vvy s ASP 93 N -6.58 5.66 0.15 -2.05 1.01 -1.26 -4.95 116.67 108.65 2vvy s ASP 93 Ca -0.14 2.00 -0.01 0.00 0.71 0.00 0.00 52.55 55.11 2vvy s ASP 93 Cb 0.04 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 2vvy s ASP 93 CO 0.80 -1.26 1.36 -0.08 0.21 0.00 0.00 175.17 176.21 2vvy h GLU 94 N 0.74 0.32 -6.45 8.23 4.57 -2.02 -3.38 114.58 116.59 2vvy h GLU 94 Ca -0.48 -0.33 -0.55 0.00 -1.18 0.00 0.00 59.36 56.82 2vvy h GLU 94 Cb 1.24 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.85 2vvy h GLU 94 CO 0.57 1.01 1.05 -0.65 -1.18 0.00 0.00 179.01 179.81 2vvy s GLN 95 N -3.32 3.34 0.15 1.92 1.11 -1.26 -5.02 119.66 116.57 2vvy s GLN 95 Ca -0.05 0.18 0.01 0.00 0.01 0.00 0.00 55.36 55.51 2vvy s GLN 95 Cb 0.10 -4.10 -0.04 0.00 -1.01 0.00 0.00 33.01 27.95 2vvy s GLN 95 CO 0.85 -1.92 0.31 0.15 0.01 0.00 0.00 175.29 174.69 2vvy s LYS 96 N 5.40 3.48 0.41 2.91 1.02 -1.26 -5.06 119.74 126.63 2vvy s LYS 96 Ca 0.44 -0.45 -0.04 0.00 0.02 0.00 0.00 55.97 55.93 2vvy s LYS 96 Cb -0.09 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2vvy s LYS 96 CO 0.22 0.49 0.69 0.95 -0.92 0.00 0.00 175.35 176.79 2vvy s THR 97 N -1.74 4.96 0.48 2.17 -4.23 -1.26 -4.91 115.64 111.11 2vvy s THR 97 Ca 0.36 0.07 0.20 0.00 -1.18 0.00 0.00 61.69 61.15 2vvy s THR 97 Cb -0.11 -3.83 0.37 0.00 1.34 0.00 0.00 72.50 70.27 2vvy s THR 97 CO 0.28 -0.65 1.96 -0.29 -0.54 0.00 0.00 174.62 175.38 2vvy h ILE 98 N 0.65 0.77 -0.21 2.99 2.10 -1.98 -0.14 117.51 121.69 2vvy h ILE 98 Ca -0.48 -0.07 -0.18 0.00 1.08 0.00 0.00 64.86 65.21 2vvy h ILE 98 Cb 1.20 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 2vvy h ILE 98 CO 0.63 0.04 -0.58 -0.09 -1.08 0.00 0.00 178.15 177.06 2vvy h ARG 99 N 0.21 0.76 -0.57 2.19 2.43 -1.99 -2.51 114.38 114.90 2vvy h ARG 99 Ca 0.31 -0.54 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 2vvy h ARG 99 Cb 0.91 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2vvy h ARG 99 CO -0.06 1.16 0.04 0.93 -1.51 0.00 0.00 179.97 180.54 2vvy h GLU 100 N 0.49 0.95 -0.54 0.20 5.08 -1.47 -0.54 114.58 118.75 2vvy h GLU 100 Ca -0.01 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 2vvy h GLU 100 Cb 1.20 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2vvy h GLU 100 CO 0.13 0.91 0.00 0.82 -1.00 0.00 0.00 179.01 179.87 2vvy h ILE 101 N 0.89 1.26 -0.61 3.13 2.04 -1.15 -1.85 117.51 121.22 2vvy h ILE 101 Ca 0.17 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 2vvy h ILE 101 Cb 0.46 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2vvy h ILE 101 CO 0.02 0.39 0.03 0.28 0.00 0.00 0.00 178.15 178.87 2vvy h SER 102 N 0.83 1.03 -0.40 1.72 0.02 -1.27 -2.42 113.55 113.05 2vvy h SER 102 Ca 0.15 -0.29 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2vvy h SER 102 Cb 0.53 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2vvy h SER 102 CO 0.03 1.07 0.03 0.00 -1.14 0.00 0.00 176.83 176.81 2vvy h ALA 103 N 1.00 0.39 -0.48 3.77 0.00 -0.91 0.25 119.26 123.27 2vvy h ALA 103 Ca 0.18 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2vvy h ALA 103 Cb 0.52 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2vvy h ALA 103 CO 0.03 -0.37 0.30 0.82 0.00 0.00 0.00 179.25 180.02 2vvy h ILE 104 N 0.14 1.14 -0.41 0.00 2.04 -1.07 0.28 117.51 119.63 2vvy h ILE 104 Ca 0.20 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 2vvy h ILE 104 Cb 0.27 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2vvy h ILE 104 CO -0.30 0.14 0.01 0.40 0.00 0.00 0.00 178.15 178.40 2vvy h ILE 105 N 0.65 1.26 -0.33 -0.67 2.04 -1.23 -1.90 117.51 117.31 2vvy h ILE 105 Ca 0.17 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.08 2vvy h ILE 105 Cb -0.02 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 2vvy h ILE 105 CO -0.03 0.34 0.05 1.23 0.00 0.00 0.00 178.15 179.74 2vvy h GLY 106 N 0.56 0.38 0.99 5.37 0.00 -0.07 -1.21 103.07 109.09 2vvy h GLY 106 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2vvy h GLY 106 CO 0.02 -0.03 0.17 -2.00 0.00 0.00 0.00 176.54 174.70 2vvy h LEU 107 N 0.17 0.81 -0.81 3.11 5.85 -0.34 -2.32 115.31 121.78 2vvy h LEU 107 Ca 0.16 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2vvy h LEU 107 Cb 0.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2vvy h LEU 107 CO -0.22 0.81 -0.42 0.00 -0.34 0.00 0.00 178.44 178.27 2vvy h ALA 109 N 1.24 0.80 -0.23 0.00 0.00 -1.13 -1.43 119.26 118.51 2vvy h ALA 109 Ca 0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2vvy h ALA 109 Cb 0.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2vvy h ALA 109 CO 0.07 0.70 -0.15 -0.92 0.00 0.00 0.00 179.25 178.95 2vvy h TYR 110 N 0.29 0.59 -0.93 0.00 3.20 -1.12 -2.31 116.97 116.69 2vvy h TYR 110 Ca 0.00 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 61.75 2vvy h TYR 110 Cb 1.08 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 2vvy h TYR 110 CO 0.03 0.80 0.61 0.00 -1.64 0.00 0.00 178.16 177.97 2vvy h ALA 111 N 0.70 1.40 -0.40 1.82 0.00 -1.05 0.41 119.26 122.13 2vvy h ALA 111 Ca 0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2vvy h ALA 111 Cb 0.67 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2vvy h ALA 111 CO 0.04 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.64 2vvy h ALA 112 N 1.46 0.97 -0.11 0.00 0.00 -1.12 -1.00 119.26 119.45 2vvy h ALA 112 Ca 0.37 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2vvy h ALA 112 Cb 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2vvy h ALA 112 CO -0.11 0.60 -0.64 1.15 0.00 0.00 0.00 179.25 180.25 2vvy h THR 113 N 0.66 1.33 -0.48 0.00 2.02 -0.83 -2.23 112.91 113.40 2vvy h THR 113 Ca 0.11 -1.91 0.06 0.00 0.77 0.00 0.00 66.41 65.43 2vvy h THR 113 Cb 0.64 2.14 -0.05 0.00 -1.74 0.00 0.00 68.15 69.14 2vvy h THR 113 CO 0.04 0.59 0.19 0.22 0.37 0.00 0.00 175.52 176.94 2vvy h TYR 114 N 0.28 0.35 0.00 3.16 3.20 -0.77 -3.17 116.97 120.01 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 1.28 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2vvy h TYR 114 CO 0.10 0.14 -0.56 0.91 -1.64 0.00 0.00 178.16 177.12 2vvy n TRP 115 N -4.97 0.05 -1.27 -3.82 7.02 -0.39 -4.93 117.44 109.12 2vvy n TRP 115 Ca 0.04 0.02 -0.29 0.00 -1.02 0.00 0.00 57.50 56.25 2vvy n TRP 115 Cb 0.17 -0.27 0.15 0.00 -2.42 0.00 0.00 31.31 28.93 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 -3.08 1.59 0.16 6.99 0.00 -0.84 -4.45 107.32 107.70 2vvy s GLY 116 Ca 0.10 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.57 2vvy s GLY 116 CO 0.71 0.28 0.23 0.61 0.00 0.00 0.00 173.10 174.93 2vvy n GLY 117 N -1.36 1.53 0.06 0.20 0.00 0.14 -4.94 105.19 100.82 2vvy n GLY 117 Ca 0.06 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 44.10 2vvy n GLY 117 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2vvy h GLU 118 N 0.00 0.00 0.00 1.61 3.07 -1.96 -3.40 114.58 113.90 2vvy h GLU 118 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2vvy h GLU 118 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2vvy h GLU 118 CO 0.10 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.31 2vvy n ASP 119 N -2.12 0.09 -3.46 1.42 5.68 -1.26 -5.05 116.55 111.86 2vvy n ASP 119 Ca 0.03 -0.55 -0.06 0.00 -0.50 0.00 0.00 54.79 53.70 2vvy n ASP 119 Cb 0.45 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 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 -0.09 -0.04 0.58 2.11 -3.43 -1.26 -5.07 115.29 108.09 2vvy s HIS 120 Ca 0.00 -0.46 -0.04 0.00 -0.80 0.00 0.00 55.06 53.76 2vvy s HIS 120 Cb 0.00 0.74 0.02 0.00 -1.43 0.00 0.00 32.58 31.91 2vvy s HIS 120 CO 0.00 -1.23 0.87 -1.25 -2.00 0.00 0.00 174.74 171.13 2vvy s PRO 121 N -3.02 2.82 0.32 -0.38 0.04 -1.26 -0.68 135.00 132.84 2vvy s PRO 121 Ca 0.14 -0.17 0.07 0.00 0.04 0.00 0.00 61.00 61.08 2vvy s PRO 121 Cb -0.04 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2vvy s PRO 121 CO 0.07 -0.71 -0.04 0.95 0.04 0.00 0.00 177.00 177.32 2vvy s THR 122 N -2.94 1.76 0.27 1.26 -4.23 -1.26 -4.76 115.64 105.73 2vvy s THR 122 Ca 0.54 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 2vvy s THR 122 Cb -0.10 -2.63 0.25 0.00 1.34 0.00 0.00 72.50 71.35 2vvy s THR 122 CO 0.43 -0.19 1.79 0.28 -0.54 0.00 0.00 174.62 176.40 2vvy h SER 123 N 2.12 0.68 -0.34 3.99 0.02 -2.00 -1.17 113.55 116.84 2vvy h SER 123 Ca -0.41 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.46 2vvy h SER 123 Cb 1.24 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2vvy h SER 123 CO 0.70 0.33 -0.36 0.78 -1.14 0.00 0.00 176.83 177.15 2vvy h ASN 124 N 0.76 0.91 -0.40 3.07 2.35 -1.89 -1.44 115.58 118.94 2vvy h ASN 124 Ca 0.46 -0.47 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2vvy h ASN 124 Cb 0.56 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2vvy h ASN 124 CO -0.31 1.20 -0.07 0.77 -1.65 0.00 0.00 177.43 177.36 2vvy h SER 125 N 0.64 0.82 -0.44 5.81 4.64 -1.62 -2.20 113.55 121.20 2vvy h SER 125 Ca 0.05 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2vvy h SER 125 Cb 0.94 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 2vvy h SER 125 CO 0.09 0.92 0.17 -0.07 -0.87 0.00 0.00 176.83 177.08 2vvy h LEU 126 N 0.76 0.61 -2.13 5.97 3.38 -1.18 -2.98 115.31 119.74 2vvy h LEU 126 Ca 0.13 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2vvy h LEU 126 Cb 0.56 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2vvy h LEU 126 CO 0.03 0.62 0.09 0.78 0.09 0.00 0.00 178.44 180.05 2vvy h ASN 127 N 0.57 0.00 -0.74 -0.43 2.35 -0.73 0.74 115.58 117.34 2vvy h ASN 127 Ca 0.15 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2vvy h ASN 127 Cb 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2vvy h ASN 127 CO -0.01 0.00 0.49 0.00 -1.65 0.00 0.00 177.43 176.26 2vvy h ALA 128 N 1.93 1.47 -0.83 -0.83 0.00 -1.25 0.53 119.26 120.27 2vvy h ALA 128 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2vvy h ALA 128 Cb 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2vvy h ALA 128 CO -0.00 0.49 0.38 1.25 0.00 0.00 0.00 179.25 181.38 2vvy h LEU 129 N 1.01 1.10 0.00 0.00 5.85 -0.91 -3.03 115.31 119.33 2vvy h LEU 129 Ca 0.27 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 2vvy h LEU 129 Cb -0.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.61 2vvy h LEU 129 CO -0.06 0.94 -0.59 -0.26 -0.34 0.00 0.00 178.44 178.13 2vvy h PHE 130 N 1.19 0.00 0.00 1.25 0.04 -1.15 -2.83 116.94 115.43 2vvy h PHE 130 Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 2vvy h PHE 130 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2vvy h PHE 130 CO 0.02 0.57 0.00 0.28 -0.60 0.00 0.00 178.31 178.58 2vvy n VAL 131 N -3.24 0.04 0.00 -0.55 0.31 0.10 -1.16 118.33 113.83 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 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.56 0.00 -0.42 7.52 4.77 -1.07 -4.73 117.00 123.64 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 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 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 -0.31 -4.76 120.64 122.87 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 0.32 0.00 -5.03 4.31 4.77 -1.26 -5.13 117.00 114.98 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 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2vvy n LEU 136 CO 0.00 0.00 0.35 0.54 -1.33 0.00 0.00 177.39 176.95 2vvy s ASN 137 N 0.00 5.01 0.35 -1.43 2.20 -1.26 -5.00 114.94 114.81 2vvy s ASN 137 Ca 0.00 -0.92 0.07 0.00 -0.94 0.00 0.00 52.86 51.07 2vvy s ASN 137 Cb 0.00 0.41 0.65 0.00 -2.00 0.00 0.00 41.25 40.31 2vvy s ASN 137 CO 0.00 -1.39 1.85 0.10 -2.94 0.00 0.00 177.10 174.72 2vvy h TYR 138 N 0.16 0.34 -0.02 1.54 -0.00 -2.00 -1.82 116.97 115.17 2vvy h TYR 138 Ca -0.29 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.73 58.32 2vvy h TYR 138 Cb 1.29 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 37.92 2vvy h TYR 138 CO 0.48 0.48 -0.31 0.28 -0.00 0.00 0.00 178.16 179.08 2vvy h VAL 139 N 0.29 1.24 -0.17 -0.90 2.07 -2.00 -2.54 116.25 114.23 2vvy h VAL 139 Ca 0.05 -1.12 -0.17 0.00 0.82 0.00 0.00 66.70 66.29 2vvy h VAL 139 Cb 0.48 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2vvy h VAL 139 CO 0.03 0.32 -0.58 0.44 0.02 0.00 0.00 177.57 177.81 2vvy h ASP 140 N 0.04 0.62 0.31 0.57 3.32 -1.73 -3.10 116.42 116.45 2vvy h ASP 140 Ca 0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 2vvy h ASP 140 Cb 0.58 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2vvy h ASP 140 CO 0.04 1.06 -0.32 1.88 -1.72 0.00 0.00 179.24 180.18 2vvy h TYR 141 N 0.42 0.02 -0.15 4.55 0.05 -1.10 -1.94 116.97 118.82 2vvy h TYR 141 Ca 0.00 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2vvy h TYR 141 Cb 1.13 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 2vvy h TYR 141 CO 0.05 0.34 -0.36 -0.91 -1.05 0.00 0.00 178.16 176.23 2vvy h ASN 142 N 0.01 0.32 0.05 3.88 4.21 -1.42 -2.33 115.58 120.30 2vvy h ASN 142 Ca -0.00 -0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.38 2vvy h ASN 142 Cb 0.58 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2vvy h ASN 142 CO 0.04 0.66 -0.02 0.40 -1.29 0.00 0.00 177.43 177.22 2vvy h ILE 143 N 0.27 0.97 0.00 2.81 2.04 -1.44 -3.27 117.51 118.88 2vvy h ILE 143 Ca 0.03 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2vvy h ILE 143 Cb 0.76 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2vvy h ILE 143 CO 0.06 0.31 0.00 -0.29 0.00 0.00 0.00 178.15 178.23 2vvy h ILE 144 N -0.96 0.00 -0.14 -0.67 6.09 -1.45 -0.16 117.51 120.23 2vvy h ILE 144 Ca -0.01 -0.21 0.04 0.00 -1.37 0.00 0.00 64.86 63.31 2vvy h ILE 144 Cb 0.55 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 2vvy h ILE 144 CO 0.01 0.00 0.11 0.15 -3.07 0.00 0.00 178.15 175.35 2vvy h PHE 145 N 0.00 0.00 0.00 2.19 3.57 -1.46 -1.80 116.94 119.44 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 0.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 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 -4.36 0.09 -1.28 1.11 5.12 -0.07 -2.57 116.66 114.70 2vvy n ARG 146 Ca 0.00 0.32 -0.29 0.00 -1.93 0.00 0.00 57.85 55.96 2vvy n ARG 146 Cb 0.23 -1.67 0.05 0.00 -1.16 0.00 0.00 32.46 29.92 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 -1.83 2.40 0.00 5.56 1.74 -0.68 -5.18 116.66 118.68 2vvy n ARG 147 Ca 0.03 -2.72 0.15 0.00 -0.77 0.00 0.00 57.85 54.54 2vvy n ARG 147 Cb 0.20 -2.07 0.63 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