#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9y s GLN 2 N 0.00 3.64 0.06 2.12 2.00 -1.07 -4.89 119.66 121.53 1p9y s GLN 2 Ca 0.00 0.45 0.05 0.00 -2.00 0.00 0.00 55.36 53.86 1p9y s GLN 2 Cb 0.00 -3.95 -0.04 0.00 0.80 0.00 0.00 33.01 29.82 1p9y s GLN 2 CO 0.00 -1.51 -0.04 0.08 -0.50 0.00 0.00 175.29 173.33 1p9y s VAL 3 N 4.68 3.81 -0.14 1.34 1.01 -1.26 -1.78 120.40 128.05 1p9y s VAL 3 Ca 0.46 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1p9y s VAL 3 Cb -0.07 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.60 1p9y s VAL 3 CO 0.30 0.21 0.33 -0.94 0.00 0.00 0.00 175.10 174.99 1p9y s SER 4 N -2.01 -0.30 -0.06 3.32 1.04 -0.71 -5.01 113.70 109.97 1p9y s SER 4 Ca 0.22 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.35 1p9y s SER 4 Cb -0.11 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1p9y s SER 4 CO 0.14 -0.19 0.07 -0.69 0.98 0.00 0.00 173.24 173.54 1p9y s VAL 5 N 1.57 4.76 0.02 5.02 1.01 -1.26 -1.21 120.40 130.31 1p9y s VAL 5 Ca -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1p9y s VAL 5 Cb -0.10 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1p9y s VAL 5 CO -0.11 0.51 0.04 -1.61 0.00 0.00 0.00 175.10 173.93 1p9y s GLU 6 N -1.24 0.43 -0.12 2.72 2.02 -0.28 -4.99 118.70 117.24 1p9y s GLU 6 Ca 0.17 -0.63 -0.16 0.00 0.02 0.00 0.00 54.97 54.38 1p9y s GLU 6 Cb -0.12 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.23 1p9y s GLU 6 CO 0.07 -0.09 0.39 0.99 0.02 0.00 0.00 175.26 176.65 1p9y s THR 7 N -1.85 5.22 0.00 3.63 2.01 -1.26 -0.35 115.64 123.04 1p9y s THR 7 Ca -0.12 0.78 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1p9y s THR 7 Cb -0.06 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1p9y s THR 7 CO -0.02 0.38 0.00 0.35 -0.69 0.00 0.00 174.62 174.65 1p9y n THR 8 N 3.38 0.00 -3.64 -0.82 -2.24 -0.56 -4.91 114.28 105.49 1p9y n THR 8 Ca -0.10 0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.97 1p9y n THR 8 Cb 0.52 -1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 1p9y n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p9y s GLN 9 N -0.73 0.69 7.02 -0.78 -2.07 -1.25 -5.01 119.66 117.54 1p9y s GLN 9 Ca 0.00 1.14 0.00 0.00 -1.82 0.00 0.00 55.36 54.68 1p9y s GLN 9 Cb 0.00 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 1p9y s GLN 9 CO 0.00 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 1p9y n GLY 10 N 4.03 1.84 0.51 2.60 0.00 -1.26 -1.77 105.19 111.14 1p9y n GLY 10 Ca -0.19 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1p9y n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p9y n LEU 11 N 0.00 1.56 -4.75 0.99 4.77 -1.26 -4.90 117.00 113.40 1p9y n LEU 11 Ca 0.00 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 54.97 1p9y n LEU 11 Cb 0.00 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1p9y n LEU 11 CO 0.00 0.30 0.90 -0.83 -1.33 0.00 0.00 177.39 176.44 1p9y s GLY 12 N -1.72 2.85 0.08 -0.72 0.00 -0.73 -0.69 107.32 106.39 1p9y s GLY 12 Ca 0.34 1.06 0.01 0.00 0.00 0.00 0.00 44.72 46.14 1p9y s GLY 12 CO 0.29 1.80 -0.06 0.50 0.00 0.00 0.00 173.10 175.63 1p9y s ARG 13 N -1.07 0.71 -0.05 2.90 1.81 0.59 -1.50 118.95 122.33 1p9y s ARG 13 Ca 0.50 -1.14 -0.01 0.00 -1.72 0.00 0.00 55.73 53.36 1p9y s ARG 13 Cb -0.35 -0.17 0.03 0.00 -0.45 0.00 0.00 34.95 34.00 1p9y s ARG 13 CO 0.43 -0.01 0.00 0.50 -0.68 0.00 0.00 175.30 175.54 1p9y s ARG 14 N -3.17 0.47 -0.23 3.54 3.52 0.53 -2.38 118.95 121.23 1p9y s ARG 14 Ca 0.05 0.11 -0.07 0.00 -0.13 0.00 0.00 55.73 55.69 1p9y s ARG 14 Cb 0.01 -0.77 -0.03 0.00 -1.56 0.00 0.00 34.95 32.60 1p9y s ARG 14 CO -0.04 -0.24 0.05 0.08 -0.81 0.00 0.00 175.30 174.35 1p9y s VAL 15 N 1.62 4.22 -0.18 7.11 1.01 0.74 -1.13 120.40 133.79 1p9y s VAL 15 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1p9y s VAL 15 Cb -0.13 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1p9y s VAL 15 CO -0.03 0.37 -0.02 -0.89 0.00 0.00 0.00 175.10 174.53 1p9y s THR 16 N 1.42 3.89 -0.04 3.92 2.01 -0.35 0.24 115.64 126.73 1p9y s THR 16 Ca 0.05 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1p9y s THR 16 Cb -0.15 -2.74 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 1p9y s THR 16 CO 0.03 0.45 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.61 1p9y s ILE 17 N 0.76 1.40 -0.18 1.82 1.01 0.50 -1.74 121.20 124.77 1p9y s ILE 17 Ca -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 1p9y s ILE 17 Cb -0.14 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 1p9y s ILE 17 CO 0.02 0.40 -0.10 -0.89 0.00 0.00 0.00 174.94 174.38 1p9y s THR 18 N 0.03 3.05 -0.20 2.92 2.01 -0.74 -1.66 115.64 121.05 1p9y s THR 18 Ca -0.03 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.26 1p9y s THR 18 Cb -0.11 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1p9y s THR 18 CO 0.02 0.48 0.10 -0.63 -0.69 0.00 0.00 174.62 173.89 1p9y s ILE 19 N 1.08 4.99 0.38 1.82 1.01 0.52 -2.60 121.20 128.40 1p9y s ILE 19 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.42 1p9y s ILE 19 Cb -0.15 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 1p9y s ILE 19 CO -0.02 0.42 1.42 0.00 0.00 0.00 0.00 174.94 176.76 1p9y s ALA 20 N 0.60 3.46 0.41 9.38 0.00 -1.26 -1.01 121.76 133.34 1p9y s ALA 20 Ca 0.05 1.45 0.09 0.00 0.00 0.00 0.00 51.96 53.55 1p9y s ALA 20 Cb -0.13 -3.56 0.89 0.00 0.00 0.00 0.00 23.12 20.32 1p9y s ALA 20 CO 0.01 -0.97 2.00 0.00 0.00 0.00 0.00 175.76 176.81 1p9y h ALA 21 N 2.92 1.82 -0.01 0.00 0.00 -1.92 -2.04 119.26 120.02 1p9y h ALA 21 Ca -0.50 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 1p9y h ALA 21 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1p9y h ALA 21 CO 0.64 0.10 -0.65 0.38 0.00 0.00 0.00 179.25 179.72 1p9y h ASP 22 N 0.56 0.07 -0.15 0.00 3.04 -1.91 -2.08 116.42 115.94 1p9y h ASP 22 Ca 0.24 -0.04 -0.09 0.00 -3.24 0.00 0.00 57.03 53.90 1p9y h ASP 22 Cb 0.24 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 38.49 1p9y h ASP 22 CO -0.07 0.70 -0.17 0.28 -2.04 0.00 0.00 179.24 177.94 1p9y h SER 23 N 0.04 0.55 0.01 4.15 0.02 -1.74 0.18 113.55 116.75 1p9y h SER 23 Ca -0.01 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1p9y h SER 23 Cb 1.15 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1p9y h SER 23 CO 0.09 0.74 -0.00 0.40 -1.14 0.00 0.00 176.83 176.92 1p9y h ILE 24 N 0.50 1.39 -0.73 3.27 2.04 -1.38 -2.24 117.51 120.37 1p9y h ILE 24 Ca 0.08 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 1p9y h ILE 24 Cb 0.59 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1p9y h ILE 24 CO 0.04 0.31 0.37 -0.33 0.00 0.00 0.00 178.15 178.54 1p9y h GLU 25 N -0.53 1.02 -0.61 2.37 4.39 -1.25 0.13 114.58 120.10 1p9y h GLU 25 Ca -0.00 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 1p9y h GLU 25 Cb 0.52 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1p9y h GLU 25 CO 0.00 0.77 0.14 1.15 -1.16 0.00 0.00 179.01 179.92 1p9y h THR 26 N 1.02 1.25 -0.16 1.13 2.02 -0.99 -0.80 112.91 116.37 1p9y h THR 26 Ca 0.25 -0.93 -0.14 0.00 0.77 0.00 0.00 66.41 66.36 1p9y h THR 26 Cb 0.07 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1p9y h THR 26 CO -0.04 0.35 -0.50 0.00 0.37 0.00 0.00 175.52 175.70 1p9y h ALA 27 N 1.04 0.83 -0.15 6.16 0.00 -0.78 -1.44 119.26 124.91 1p9y h ALA 27 Ca 0.19 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1p9y h ALA 27 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p9y h ALA 27 CO 0.00 0.67 -0.12 0.28 0.00 0.00 0.00 179.25 180.09 1p9y h VAL 28 N 0.35 1.33 -0.46 0.00 2.07 -0.51 -0.89 116.25 118.15 1p9y h VAL 28 Ca 0.01 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.34 1p9y h VAL 28 Cb 1.01 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1p9y h VAL 28 CO 0.09 0.36 0.25 0.11 0.02 0.00 0.00 177.57 178.40 1p9y h LYS 29 N -0.00 0.47 -0.46 1.57 1.57 -1.12 -0.49 116.57 118.11 1p9y h LYS 29 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1p9y h LYS 29 Cb 0.62 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1p9y h LYS 29 CO 0.03 0.31 0.27 1.03 -0.57 0.00 0.00 179.45 180.52 1p9y h SER 30 N 0.49 0.57 -0.01 0.86 0.87 -1.20 -1.45 113.55 113.67 1p9y h SER 30 Ca 0.20 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 1p9y h SER 30 Cb 0.08 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1p9y h SER 30 CO -0.12 0.47 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.28 1p9y h GLU 31 N 0.61 0.44 -0.76 2.24 4.81 -0.80 -2.56 114.58 118.58 1p9y h GLU 31 Ca 0.16 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1p9y h GLU 31 Cb 0.02 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1p9y h GLU 31 CO -0.03 0.69 0.26 -0.07 -0.73 0.00 0.00 179.01 179.13 1p9y h LEU 32 N 0.39 1.08 -1.39 1.64 3.38 -0.71 0.00 115.31 119.70 1p9y h LEU 32 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1p9y h LEU 32 Cb 0.70 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1p9y h LEU 32 CO 0.05 0.99 0.28 0.58 0.09 0.00 0.00 178.44 180.43 1p9y h VAL 33 N 1.11 1.16 -0.09 1.22 2.07 -0.96 0.55 116.25 121.31 1p9y h VAL 33 Ca 0.25 -0.38 -0.21 0.00 0.82 0.00 0.00 66.70 67.17 1p9y h VAL 33 Cb 0.27 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1p9y h VAL 33 CO -0.01 0.17 -0.81 -1.13 0.02 0.00 0.00 177.57 175.81 1p9y h ASN 34 N 0.70 0.70 -0.42 0.57 -0.73 -0.99 -3.23 115.58 112.18 1p9y h ASN 34 Ca 0.18 -0.48 -0.10 0.00 1.87 0.00 0.00 56.30 57.77 1p9y h ASN 34 Cb 0.01 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 1p9y h ASN 34 CO -0.03 1.26 -0.13 0.58 -0.37 0.00 0.00 177.43 178.74 1p9y h VAL 35 N 0.38 1.28 -0.52 2.57 2.07 -0.36 -2.87 116.25 118.79 1p9y h VAL 35 Ca -0.06 -1.24 0.15 0.00 0.82 0.00 0.00 66.70 66.38 1p9y h VAL 35 Cb 1.42 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1p9y h VAL 35 CO 0.15 0.42 0.39 0.00 0.02 0.00 0.00 177.57 178.55 1p9y h ALA 36 N 0.85 2.46 0.00 1.67 0.00 -0.93 0.51 119.26 123.82 1p9y h ALA 36 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1p9y h ALA 36 Cb 0.67 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1p9y h ALA 36 CO 0.05 -0.66 0.00 0.87 0.00 0.00 0.00 179.25 179.50 1p9y h LYS 37 N 0.00 0.00 0.00 0.00 1.57 -1.52 -2.98 116.57 113.63 1p9y h LYS 37 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1p9y h LYS 37 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1p9y h LYS 37 CO -0.00 0.00 -1.26 1.63 -0.57 0.00 0.00 179.45 179.25 1p9y n LYS 38 N -2.47 0.34 -3.29 3.15 5.02 0.13 -4.14 118.16 116.91 1p9y n LYS 38 Ca 0.04 -0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.90 1p9y n LYS 38 Cb 0.39 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1p9y n LYS 38 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1p9y s VAL 39 N -3.25 4.91 -0.07 -0.18 1.01 -0.97 -4.86 120.40 116.99 1p9y s VAL 39 Ca 0.01 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 1p9y s VAL 39 Cb 0.14 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1p9y s VAL 39 CO 0.84 0.48 0.14 -0.60 0.00 0.00 0.00 175.10 175.96 1p9y s ARG 40 N -0.52 0.02 -1.09 2.72 3.00 -1.26 0.84 118.95 122.66 1p9y s ARG 40 Ca 0.28 0.51 -0.22 0.00 -1.00 0.00 0.00 55.73 55.30 1p9y s ARG 40 Cb -0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 34.95 34.45 1p9y s ARG 40 CO 0.16 -0.29 1.82 0.96 0.00 0.00 0.00 175.30 177.95 1p9y s ILE 41 N 2.12 3.68 0.00 4.11 -0.00 -1.26 -4.72 121.20 125.14 1p9y s ILE 41 Ca 0.02 -0.90 0.00 0.00 -0.00 0.00 0.00 60.65 59.76 1p9y s ILE 41 Cb -0.12 -4.59 0.00 0.00 -0.00 0.00 0.00 42.46 37.75 1p9y s ILE 41 CO -0.05 -1.33 0.00 0.47 -0.00 0.00 0.00 174.94 174.03 1p9y n ASP 42 N 12.22 0.00 -0.16 4.36 8.00 -1.26 -2.41 116.55 137.30 1p9y n ASP 42 Ca 0.42 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.94 1p9y n ASP 42 Cb 0.47 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1p9y n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p9y n GLY 43 N 0.00 0.53 4.01 0.44 0.00 -1.26 -5.09 105.19 103.81 1p9y n GLY 43 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 1p9y n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p9y s LEU 44 N -0.68 3.35 -0.02 0.99 1.43 -1.01 -5.01 118.68 117.73 1p9y s LEU 44 Ca 0.05 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 1p9y s LEU 44 Cb 0.05 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.83 1p9y s LEU 44 CO 0.01 -1.12 2.03 -0.60 0.23 0.00 0.00 176.35 176.89 1p9y s ARG 45 N -4.61 3.91 0.32 1.70 6.06 -1.26 -4.57 118.95 120.50 1p9y s ARG 45 Ca 0.59 2.49 -0.28 0.00 -2.50 0.00 0.00 55.73 56.02 1p9y s ARG 45 Cb -0.08 -4.21 -0.13 0.00 0.06 0.00 0.00 34.95 30.58 1p9y s ARG 45 CO 0.37 -1.22 1.25 1.17 -2.50 0.00 0.00 175.30 174.37 1p9y n LYS 46 N 7.82 1.96 -0.75 5.12 4.81 -1.26 -2.21 118.16 133.65 1p9y n LYS 46 Ca 0.22 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1p9y n LYS 46 Cb 0.42 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1p9y n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p9y n GLY 47 N 1.05 0.62 0.25 3.14 0.00 0.25 -4.93 105.19 105.56 1p9y n GLY 47 Ca 0.07 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1p9y n GLY 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1p9y n LYS 48 N -2.75 1.61 -1.61 1.61 4.81 -0.94 -4.69 118.16 116.19 1p9y n LYS 48 Ca 0.00 -0.70 -0.43 0.00 -0.87 0.00 0.00 58.31 56.31 1p9y n LYS 48 Cb 0.00 -1.08 -0.01 0.00 0.02 0.00 0.00 35.03 33.97 1p9y n LYS 48 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1p9y n VAL 49 N -0.05 2.10 -1.91 3.15 0.31 -1.26 -4.89 118.33 115.78 1p9y n VAL 49 Ca 0.04 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.47 1p9y n VAL 49 Cb 0.20 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1p9y n VAL 49 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1p9y s PRO 50 N -1.74 3.96 0.42 5.55 0.04 -1.26 -4.85 135.00 137.12 1p9y s PRO 50 Ca 0.59 2.37 0.12 0.00 0.04 0.00 0.00 61.00 64.11 1p9y s PRO 50 Cb -0.63 -2.82 0.97 0.00 0.04 0.00 0.00 34.50 32.05 1p9y s PRO 50 CO 0.60 -0.58 2.00 0.52 0.04 0.00 0.00 177.00 179.58 1p9y h MET 51 N 2.73 0.46 0.00 4.56 2.86 -1.99 -1.15 114.93 122.40 1p9y h MET 51 Ca -0.50 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.09 1p9y h MET 51 Cb 1.25 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1p9y h MET 51 CO 0.63 0.30 -0.08 -2.95 1.06 0.00 0.00 176.91 175.86 1p9y h ASN 52 N 0.47 0.00 0.04 1.22 -1.07 -1.99 0.21 115.58 114.46 1p9y h ASN 52 Ca 0.25 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.51 1p9y h ASN 52 Cb 0.36 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.62 1p9y h ASN 52 CO -0.07 0.08 -0.44 0.40 0.07 0.00 0.00 177.43 177.47 1p9y h ILE 53 N 0.00 1.55 -0.96 6.14 1.08 -1.59 -2.30 117.51 121.42 1p9y h ILE 53 Ca -0.00 -2.20 0.02 0.00 -0.39 0.00 0.00 64.86 62.29 1p9y h ILE 53 Cb 0.16 2.95 -0.05 0.00 -3.07 0.00 0.00 36.82 36.81 1p9y h ILE 53 CO 0.01 0.61 0.64 0.58 -0.69 0.00 0.00 178.15 179.30 1p9y h VAL 54 N -0.46 1.23 -0.44 1.67 2.07 -0.91 -0.87 116.25 118.54 1p9y h VAL 54 Ca -0.07 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1p9y h VAL 54 Cb 1.25 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1p9y h VAL 54 CO 0.09 0.23 -0.08 0.00 0.02 0.00 0.00 177.57 177.83 1p9y h ALA 55 N 1.36 0.61 -0.47 1.67 0.00 -0.66 -0.84 119.26 120.92 1p9y h ALA 55 Ca 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1p9y h ALA 55 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1p9y h ALA 55 CO -0.09 0.47 0.21 0.37 0.00 0.00 0.00 179.25 180.22 1p9y h GLN 56 N 0.67 0.69 0.13 0.00 4.15 -0.87 0.14 115.11 120.01 1p9y h GLN 56 Ca 0.12 -0.11 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 1p9y h GLN 56 Cb 0.61 -0.12 0.02 0.00 0.21 0.00 0.00 27.48 28.20 1p9y h GLN 56 CO 0.04 0.60 -1.23 0.00 -1.93 0.00 0.00 178.83 176.31 1p9y h ARG 57 N 0.62 0.45 0.00 1.69 3.08 -1.14 -3.41 114.38 115.66 1p9y h ARG 57 Ca 0.16 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1p9y h ARG 57 Cb 0.15 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1p9y h ARG 57 CO -0.02 1.28 0.00 0.66 -1.07 0.00 0.00 179.97 180.83 1p9y n TYR 58 N -3.68 0.00 -0.24 3.04 4.02 -0.33 -4.82 117.16 115.16 1p9y n TYR 58 Ca -0.11 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.82 1p9y n TYR 58 Cb 0.99 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 40.47 1p9y n TYR 58 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1p9y h GLY 59 N 0.00 0.91 0.84 2.72 0.00 -0.76 0.13 103.07 106.92 1p9y h GLY 59 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1p9y h GLY 59 CO 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 176.54 176.31 1p9y h ALA 60 N 1.60 0.33 -0.72 3.60 0.00 -1.88 -0.68 119.26 121.51 1p9y h ALA 60 Ca 0.39 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1p9y h ALA 60 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1p9y h ALA 60 CO -0.52 0.08 0.29 0.77 0.00 0.00 0.00 179.25 179.87 1p9y h SER 61 N 0.20 0.99 -0.53 0.00 0.02 -1.77 -2.03 113.55 110.44 1p9y h SER 61 Ca 0.07 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1p9y h SER 61 Cb 0.45 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1p9y h SER 61 CO 0.02 0.89 0.05 0.58 -1.14 0.00 0.00 176.83 177.22 1p9y h VAL 62 N 1.03 1.26 -0.68 2.27 2.07 -0.67 -2.14 116.25 119.39 1p9y h VAL 62 Ca 0.24 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1p9y h VAL 62 Cb 0.21 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1p9y h VAL 62 CO -0.02 0.36 0.36 -0.09 0.02 0.00 0.00 177.57 178.20 1p9y h ARG 63 N 0.77 0.94 -0.41 1.57 2.43 -0.82 0.11 114.38 118.99 1p9y h ARG 63 Ca 0.15 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1p9y h ARG 63 Cb 0.46 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1p9y h ARG 63 CO 0.02 0.71 0.05 1.96 -1.51 0.00 0.00 179.97 181.19 1p9y h GLN 64 N 0.95 0.68 -0.31 0.20 4.20 -1.19 -1.85 115.11 117.79 1p9y h GLN 64 Ca 0.24 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1p9y h GLN 64 Cb 0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1p9y h GLN 64 CO -0.04 0.74 0.17 0.22 -0.67 0.00 0.00 178.83 179.26 1p9y h ASP 65 N 0.53 0.28 -0.69 1.46 3.58 -0.72 -1.42 116.42 119.44 1p9y h ASP 65 Ca 0.12 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1p9y h ASP 65 Cb 0.40 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1p9y h ASP 65 CO 0.01 0.20 0.35 0.58 -2.88 0.00 0.00 179.24 177.50 1p9y h VAL 66 N 0.36 1.22 -0.49 2.25 2.07 -0.90 -0.34 116.25 120.42 1p9y h VAL 66 Ca 0.13 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1p9y h VAL 66 Cb 0.01 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1p9y h VAL 66 CO -0.07 0.26 -0.03 -0.07 0.02 0.00 0.00 177.57 177.68 1p9y h LEU 67 N 0.95 0.86 -0.35 2.57 3.38 -1.12 0.71 115.31 122.32 1p9y h LEU 67 Ca 0.24 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1p9y h LEU 67 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1p9y h LEU 67 CO -0.03 0.98 0.00 1.23 0.09 0.00 0.00 178.44 180.71 1p9y h GLY 68 N 0.73 0.67 0.96 0.83 0.00 -1.10 -1.80 103.07 103.36 1p9y h GLY 68 Ca 0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1p9y h GLY 68 CO 0.03 0.45 0.20 -1.80 0.00 0.00 0.00 176.54 175.42 1p9y h ASP 69 N 0.43 0.66 -0.59 0.19 1.82 -0.91 -2.52 116.42 115.49 1p9y h ASP 69 Ca 0.10 -0.16 -0.09 0.00 -0.39 0.00 0.00 57.03 56.49 1p9y h ASP 69 Cb 0.45 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1p9y h ASP 69 CO 0.02 0.64 0.04 -0.07 -1.61 0.00 0.00 179.24 178.25 1p9y h LEU 70 N 0.63 1.01 -0.21 2.28 3.38 -0.83 0.18 115.31 121.75 1p9y h LEU 70 Ca 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1p9y h LEU 70 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1p9y h LEU 70 CO -0.01 1.04 0.14 0.24 0.09 0.00 0.00 178.44 179.94 1p9y h MET 71 N 0.96 0.27 0.03 1.13 2.86 -1.17 -0.01 114.93 119.01 1p9y h MET 71 Ca 0.18 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1p9y h MET 71 Cb 0.51 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1p9y h MET 71 CO 0.02 0.18 -0.01 0.77 1.06 0.00 0.00 176.91 178.93 1p9y h SER 72 N 0.28 -0.03 -0.18 1.22 0.02 -1.35 -2.24 113.55 111.26 1p9y h SER 72 Ca 0.08 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1p9y h SER 72 Cb -0.02 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1p9y h SER 72 CO -0.02 0.26 -0.07 -0.09 -1.14 0.00 0.00 176.83 175.76 1p9y h ARG 73 N -0.33 -0.04 -0.26 3.45 2.43 -0.86 -2.18 114.38 116.59 1p9y h ARG 73 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1p9y h ARG 73 Cb 0.30 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1p9y h ARG 73 CO 0.01 -0.03 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.38 1p9y h ASN 74 N -0.05 0.43 -0.15 -3.80 2.35 -1.03 -2.03 115.58 111.31 1p9y h ASN 74 Ca 0.10 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1p9y h ASN 74 Cb 0.19 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1p9y h ASN 74 CO -0.21 0.61 -0.02 0.15 -1.65 0.00 0.00 177.43 176.30 1p9y h PHE 75 N 0.41 0.31 -0.62 1.19 3.57 -1.10 -0.90 116.94 119.80 1p9y h PHE 75 Ca 0.08 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1p9y h PHE 75 Cb 0.50 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1p9y h PHE 75 CO 0.01 0.54 0.30 0.82 -2.23 0.00 0.00 178.31 177.76 1p9y h ILE 76 N -0.00 1.22 -0.69 1.41 2.04 -1.31 -0.37 117.51 119.81 1p9y h ILE 76 Ca 0.04 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1p9y h ILE 76 Cb 0.43 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1p9y h ILE 76 CO 0.01 0.25 0.27 0.44 0.00 0.00 0.00 178.15 179.12 1p9y h ASP 77 N 0.85 0.94 -0.26 1.72 3.32 -1.33 -1.93 116.42 119.74 1p9y h ASP 77 Ca 0.21 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1p9y h ASP 77 Cb 0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1p9y h ASP 77 CO -0.03 0.84 0.09 0.00 -1.72 0.00 0.00 179.24 178.42 1p9y h ALA 78 N 1.29 0.34 0.00 3.45 0.00 -0.36 -0.77 119.26 123.22 1p9y h ALA 78 Ca 0.23 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1p9y h ALA 78 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p9y h ALA 78 CO -0.02 -0.03 -0.47 -0.84 0.00 0.00 0.00 179.25 177.89 1p9y h ILE 79 N 0.26 1.29 -0.22 0.00 3.07 -0.94 0.86 117.51 121.84 1p9y h ILE 79 Ca 0.09 -1.65 -0.05 0.00 1.55 0.00 0.00 64.86 64.80 1p9y h ILE 79 Cb 0.23 1.90 -0.01 0.00 -0.27 0.00 0.00 36.82 38.67 1p9y h ILE 79 CO -0.00 0.46 -0.04 0.40 -1.05 0.00 0.00 178.15 177.92 1p9y h ILE 80 N 0.00 1.28 -0.02 0.16 2.04 -1.16 0.14 117.51 119.96 1p9y h ILE 80 Ca -0.00 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1p9y h ILE 80 Cb 0.86 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1p9y h ILE 80 CO 0.06 0.31 0.01 0.50 0.00 0.00 0.00 178.15 179.03 1p9y h LYS 81 N 0.15 0.02 0.00 2.37 3.64 -0.93 -2.87 116.57 118.96 1p9y h LYS 81 Ca 0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1p9y h LYS 81 Cb 0.49 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1p9y h LYS 81 CO 0.02 0.20 0.00 0.39 -2.27 0.00 0.00 179.45 177.79 1p9y n GLU 82 N -4.99 0.07 -3.46 1.90 -0.58 0.28 -4.92 120.64 108.94 1p9y n GLU 82 Ca -0.07 0.20 -0.21 0.00 -0.42 0.00 0.00 57.16 56.66 1p9y n GLU 82 Cb 0.11 -1.61 0.07 0.00 -0.57 0.00 0.00 31.44 29.44 1p9y n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1p9y n LYS 83 N -1.74 -7.03 -4.40 3.49 5.02 0.39 -5.01 118.16 108.88 1p9y n LYS 83 Ca 0.05 0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 56.73 1p9y n LYS 83 Cb 0.27 -5.49 -0.10 0.00 -0.02 0.00 0.00 35.03 29.69 1p9y n LYS 83 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p9y s ILE 84 N -3.28 4.05 -0.20 -0.18 1.01 -0.63 -5.04 121.20 116.93 1p9y s ILE 84 Ca 0.50 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1p9y s ILE 84 Cb -0.22 -2.74 0.05 0.00 0.01 0.00 0.00 42.46 39.55 1p9y s ILE 84 CO 0.64 0.49 -0.08 0.20 0.00 0.00 0.00 174.94 176.20 1p9y s ASN 85 N -1.18 3.33 0.54 3.58 0.01 -1.26 -4.63 114.94 115.33 1p9y s ASN 85 Ca 0.16 -0.89 -0.20 0.00 -0.71 0.00 0.00 52.86 51.23 1p9y s ASN 85 Cb -0.11 -1.13 -0.06 0.00 0.41 0.00 0.00 41.25 40.35 1p9y s ASN 85 CO 0.06 -0.17 1.14 -2.84 -1.51 0.00 0.00 177.10 173.77 1p9y s PRO 86 N 1.46 3.38 -0.22 -0.60 0.02 -1.26 -4.14 135.00 133.64 1p9y s PRO 86 Ca -0.02 1.64 -0.16 0.00 0.02 0.00 0.00 61.00 62.48 1p9y s PRO 86 Cb -0.16 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 1p9y s PRO 86 CO -0.08 -0.83 0.43 0.00 -0.33 0.00 0.00 177.00 176.19 1p9y s ALA 87 N -1.74 3.56 0.00 -1.55 0.00 0.54 -4.93 121.76 117.64 1p9y s ALA 87 Ca 0.72 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1p9y s ALA 87 Cb -0.25 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1p9y s ALA 87 CO 0.28 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1p9y n GLY 88 N 4.10 1.16 3.61 0.00 0.00 -1.26 -4.56 105.19 108.25 1p9y n GLY 88 Ca -0.07 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1p9y n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9y s ALA 89 N -1.84 3.58 0.74 4.61 0.00 -1.26 -5.07 121.76 122.52 1p9y s ALA 89 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 1p9y s ALA 89 Cb 0.00 -2.82 0.04 0.00 0.00 0.00 0.00 23.12 20.34 1p9y s ALA 89 CO 0.00 -0.70 1.10 -2.14 0.00 0.00 0.00 175.76 174.02 1p9y s PRO 90 N 2.19 2.37 -0.24 0.00 0.02 -1.26 -4.98 135.00 133.09 1p9y s PRO 90 Ca 0.19 1.26 -0.07 0.00 0.02 0.00 0.00 61.00 62.39 1p9y s PRO 90 Cb -0.16 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1p9y s PRO 90 CO 0.09 -1.57 0.08 0.99 -0.33 0.00 0.00 177.00 176.26 1p9y s THR 91 N -2.71 4.40 -0.03 0.99 2.01 0.41 -4.93 115.64 115.78 1p9y s THR 91 Ca 0.63 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.24 1p9y s THR 91 Cb -0.19 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1p9y s THR 91 CO 0.52 0.35 0.77 -0.31 -0.69 0.00 0.00 174.62 175.26 1p9y s TYR 92 N 1.50 3.63 -0.58 4.92 1.51 -1.26 -0.78 117.35 126.29 1p9y s TYR 92 Ca 0.06 1.39 0.04 0.00 -1.01 0.00 0.00 57.07 57.55 1p9y s TYR 92 Cb -0.15 -2.87 0.14 0.00 -0.11 0.00 0.00 41.96 38.97 1p9y s TYR 92 CO 0.04 0.11 0.34 0.08 -1.11 0.00 0.00 175.55 175.01 1p9y s VAL 93 N 0.66 2.66 0.51 0.71 1.01 0.16 -4.99 120.40 121.10 1p9y s VAL 93 Ca 0.41 -3.63 -0.21 0.00 0.00 0.00 0.00 61.98 58.55 1p9y s VAL 93 Cb -0.19 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 1p9y s VAL 93 CO 0.21 -0.87 1.13 -2.16 0.00 0.00 0.00 175.10 173.41 1p9y s PRO 94 N -0.68 3.55 0.00 2.72 0.04 -1.26 -1.74 135.00 137.63 1p9y s PRO 94 Ca 0.20 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1p9y s PRO 94 Cb -0.18 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1p9y s PRO 94 CO -0.06 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1p9y n GLY 95 N 0.24 0.31 3.70 0.56 0.00 -0.82 -4.93 105.19 104.25 1p9y n GLY 95 Ca 0.10 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1p9y n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p9y s GLU 96 N 1.01 4.40 -0.23 1.61 2.02 -1.26 -5.00 118.70 121.24 1p9y s GLU 96 Ca 0.00 0.97 -0.17 0.00 0.02 0.00 0.00 54.97 55.79 1p9y s GLU 96 Cb 0.00 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1p9y s GLU 96 CO 0.00 -0.09 0.48 -0.47 0.02 0.00 0.00 175.26 175.20 1p9y s TYR 97 N 1.30 3.32 -0.04 1.61 5.04 -1.26 -4.76 117.35 122.56 1p9y s TYR 97 Ca 0.39 0.65 0.05 0.00 -2.44 0.00 0.00 57.07 55.72 1p9y s TYR 97 Cb -0.18 -2.66 -0.01 0.00 0.35 0.00 0.00 41.96 39.47 1p9y s TYR 97 CO 0.17 -0.17 -0.18 0.21 -1.34 0.00 0.00 175.55 174.24 1p9y s LYS 98 N 1.89 1.76 0.21 4.97 2.47 -1.26 -5.11 119.74 124.68 1p9y s LYS 98 Ca 0.21 -0.63 -0.30 0.00 -1.56 0.00 0.00 55.97 53.69 1p9y s LYS 98 Cb -0.15 -1.56 -0.09 0.00 -1.46 0.00 0.00 37.83 34.56 1p9y s LYS 98 CO 0.09 0.28 1.38 -0.51 0.16 0.00 0.00 175.35 176.75 1p9y s LEU 99 N -0.07 4.40 0.00 5.43 1.43 -1.26 -2.60 118.68 126.01 1p9y s LEU 99 Ca -0.02 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1p9y s LEU 99 Cb -0.11 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1p9y s LEU 99 CO 0.02 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.58 1p9y n GLY 100 N 2.44 0.65 3.28 -3.19 0.00 -1.26 -5.04 105.19 102.06 1p9y n GLY 100 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1p9y n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p9y s GLU 101 N -0.23 1.14 0.40 1.61 2.02 -1.07 -4.98 118.70 117.59 1p9y s GLU 101 Ca 0.00 -1.48 -0.25 0.00 0.02 0.00 0.00 54.97 53.26 1p9y s GLU 101 Cb 0.00 -0.79 -0.09 0.00 0.10 0.00 0.00 34.13 33.35 1p9y s GLU 101 CO 0.00 0.11 1.10 -0.51 0.02 0.00 0.00 175.26 175.99 1p9y s ASP 102 N -3.17 6.63 -0.24 -0.19 1.01 -1.26 -4.21 116.67 115.24 1p9y s ASP 102 Ca 0.18 2.18 -0.09 0.00 0.71 0.00 0.00 52.55 55.53 1p9y s ASP 102 Cb 0.01 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1p9y s ASP 102 CO 0.03 -0.59 0.11 0.12 0.21 0.00 0.00 175.17 175.05 1p9y s PHE 103 N -1.54 3.19 -0.10 4.23 5.36 -0.18 -4.87 117.98 124.07 1p9y s PHE 103 Ca 0.58 -0.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.49 1p9y s PHE 103 Cb -0.26 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.16 1p9y s PHE 103 CO 0.33 -0.12 -0.11 0.99 -1.46 0.00 0.00 175.22 174.85 1p9y s THR 104 N 1.26 3.31 0.13 0.12 2.01 -1.26 -0.35 115.64 120.85 1p9y s THR 104 Ca 0.06 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 1p9y s THR 104 Cb -0.14 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 1p9y s THR 104 CO 0.05 0.55 0.22 -0.72 -0.69 0.00 0.00 174.62 174.03 1p9y s TYR 105 N -0.20 0.39 0.19 4.92 -0.85 -0.66 -1.94 117.35 119.18 1p9y s TYR 105 Ca 0.01 -0.78 0.03 0.00 -0.52 0.00 0.00 57.07 55.81 1p9y s TYR 105 Cb -0.13 -0.12 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 1p9y s TYR 105 CO 0.03 -0.63 -0.01 -1.54 -1.52 0.00 0.00 175.55 171.87 1p9y s SER 106 N -2.94 1.48 -0.03 -0.18 1.04 -0.71 -0.37 113.70 111.99 1p9y s SER 106 Ca 0.14 -1.17 0.02 0.00 0.48 0.00 0.00 55.95 55.42 1p9y s SER 106 Cb 0.04 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1p9y s SER 106 CO -0.03 -0.52 -0.07 -0.69 0.98 0.00 0.00 173.24 172.91 1p9y s VAL 107 N -3.54 0.63 0.07 5.02 1.01 0.14 0.36 120.40 124.09 1p9y s VAL 107 Ca 0.24 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.06 1p9y s VAL 107 Cb 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1p9y s VAL 107 CO 0.05 0.21 -0.26 -1.61 0.00 0.00 0.00 175.10 173.50 1p9y s GLU 108 N 0.35 1.72 0.08 2.72 2.02 0.04 -0.19 118.70 125.45 1p9y s GLU 108 Ca -0.05 -1.16 -0.27 0.00 0.02 0.00 0.00 54.97 53.50 1p9y s GLU 108 Cb -0.09 -1.98 0.09 0.00 0.10 0.00 0.00 34.13 32.25 1p9y s GLU 108 CO 0.00 0.50 1.11 -0.59 0.02 0.00 0.00 175.26 176.30 1p9y s PHE 109 N -0.89 -0.09 -0.02 1.61 -0.12 -1.00 -0.45 117.98 117.03 1p9y s PHE 109 Ca 0.13 -0.12 -0.01 0.00 -0.05 0.00 0.00 56.93 56.88 1p9y s PHE 109 Cb -0.10 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1p9y s PHE 109 CO 0.03 -0.58 0.06 -1.21 -0.05 0.00 0.00 175.22 173.48 1p9y s GLU 110 N -2.89 3.03 0.71 1.99 0.41 -1.26 -0.30 118.70 120.39 1p9y s GLU 110 Ca 0.13 -0.48 -0.00 0.00 -0.41 0.00 0.00 54.97 54.21 1p9y s GLU 110 Cb 0.01 -2.84 0.12 0.00 -1.78 0.00 0.00 34.13 29.65 1p9y s GLU 110 CO -0.01 0.66 0.98 0.14 -0.49 0.00 0.00 175.26 176.54 1p9y s VAL 111 N -1.14 2.16 0.18 2.63 -7.23 0.13 -0.34 120.40 116.80 1p9y s VAL 111 Ca 0.21 -0.61 -0.08 0.00 -1.81 0.00 0.00 61.98 59.69 1p9y s VAL 111 Cb -0.12 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1p9y s VAL 111 CO 0.12 0.00 0.28 -0.72 -0.31 0.00 0.00 175.10 174.47 1p9y s TYR 112 N -3.11 0.52 0.19 2.82 -0.85 -1.26 -4.75 117.35 110.92 1p9y s TYR 112 Ca 0.66 -0.87 -0.30 0.00 -0.52 0.00 0.00 57.07 56.04 1p9y s TYR 112 Cb -0.06 -0.11 -0.08 0.00 0.38 0.00 0.00 41.96 42.10 1p9y s TYR 112 CO 0.44 -0.74 0.98 -1.25 -1.52 0.00 0.00 175.55 173.46 1p9y s PRO 113 N -4.01 4.75 0.52 -3.49 0.04 -1.26 -5.04 135.00 126.51 1p9y s PRO 113 Ca 0.21 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 1p9y s PRO 113 Cb 0.03 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1p9y s PRO 113 CO 0.03 0.33 0.86 -1.21 0.04 0.00 0.00 177.00 177.05 1p9y s GLU 114 N -0.69 3.58 0.03 4.56 0.41 -1.26 -4.99 118.70 120.33 1p9y s GLU 114 Ca 0.44 0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 55.09 1p9y s GLU 114 Cb -0.26 -2.29 -0.07 0.00 -1.78 0.00 0.00 34.13 29.73 1p9y s GLU 114 CO 0.32 -0.31 1.64 0.08 -0.49 0.00 0.00 175.26 176.51 1p9y s VAL 115 N -2.85 3.24 0.15 2.63 1.01 -1.26 -4.99 120.40 118.33 1p9y s VAL 115 Ca 0.50 0.58 0.02 0.00 0.00 0.00 0.00 61.98 63.07 1p9y s VAL 115 Cb -0.10 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1p9y s VAL 115 CO 0.47 -0.02 -0.01 -1.83 0.00 0.00 0.00 175.10 173.71 1p9y s GLU 116 N 3.05 1.03 0.00 2.72 -1.05 -1.26 -5.35 118.70 117.83 1p9y s GLU 116 Ca 0.73 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 1p9y s GLU 116 Cb -0.37 -0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.09 1p9y s GLU 116 CO 0.31 -0.11 0.14 1.28 0.95 0.00 0.00 175.26 177.84