#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1khi n SER 28 N 0.00 -0.31 -4.73 1.61 2.88 -1.26 -3.04 113.62 108.77 1khi n SER 28 Ca 0.00 -0.59 -0.34 0.00 -1.33 0.00 0.00 58.87 56.61 1khi n SER 28 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1khi n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1khi s ALA 29 N -3.58 2.17 0.44 -1.46 0.00 -1.26 -1.09 121.76 116.98 1khi s ALA 29 Ca 0.00 0.79 -0.23 0.00 0.00 0.00 0.00 51.96 52.52 1khi s ALA 29 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 1khi s ALA 29 CO 0.00 -1.78 0.95 0.45 0.00 0.00 0.00 175.76 175.38 1khi n SER 30 N -2.72 0.94 -4.77 0.00 2.88 -1.24 -4.76 113.62 103.95 1khi n SER 30 Ca 0.13 0.99 -0.34 0.00 -1.33 0.00 0.00 58.87 58.32 1khi n SER 30 Cb 0.51 -1.33 0.03 0.00 -0.75 0.00 0.00 64.21 62.67 1khi n SER 30 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1khi s GLN 31 N -2.04 3.06 0.24 -1.46 -0.21 -1.26 -4.91 119.66 113.08 1khi s GLN 31 Ca 0.64 1.49 0.01 0.00 0.02 0.00 0.00 55.36 57.52 1khi s GLN 31 Cb -0.55 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1khi s GLN 31 CO 0.56 -1.06 0.14 0.95 -2.12 0.00 0.00 175.29 173.76 1khi s THR 32 N -2.08 0.18 0.07 -0.19 -4.23 -1.26 -0.97 115.64 107.15 1khi s THR 32 Ca 0.70 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1khi s THR 32 Cb -0.22 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1khi s THR 32 CO 0.35 0.00 -0.08 0.68 -0.54 0.00 0.00 174.62 175.03 1khi s VAL 33 N -3.90 0.63 -0.07 2.29 -7.23 -0.54 -4.80 120.40 106.77 1khi s VAL 33 Ca 0.38 -1.46 -0.21 0.00 -1.81 0.00 0.00 61.98 58.89 1khi s VAL 33 Cb 0.06 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1khi s VAL 33 CO 0.15 -0.59 0.61 -0.89 -0.31 0.00 0.00 175.10 174.07 1khi s THR 34 N -2.34 5.06 -0.14 5.32 2.01 -1.26 -1.30 115.64 123.00 1khi s THR 34 Ca -0.00 1.25 0.02 0.00 0.31 0.00 0.00 61.69 63.27 1khi s THR 34 Cb -0.03 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1khi s THR 34 CO -0.02 0.31 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.40 1khi s ILE 35 N 0.53 2.29 0.36 1.82 -1.09 -0.24 -4.95 121.20 119.92 1khi s ILE 35 Ca 0.33 -0.91 -0.28 0.00 -2.23 0.00 0.00 60.65 57.56 1khi s ILE 35 Cb -0.17 -1.93 -0.11 0.00 -1.58 0.00 0.00 42.46 38.67 1khi s ILE 35 CO 0.16 0.54 1.42 -2.84 -1.23 0.00 0.00 174.94 172.99 1khi s PRO 36 N 0.73 4.20 0.52 2.79 0.02 -1.26 -1.70 135.00 140.30 1khi s PRO 36 Ca -0.08 2.44 0.19 0.00 0.02 0.00 0.00 61.00 63.57 1khi s PRO 36 Cb -0.16 -3.01 1.34 0.00 0.02 0.00 0.00 34.50 32.70 1khi s PRO 36 CO 0.00 -0.41 2.15 0.00 -0.33 0.00 0.00 177.00 178.41 1khi n HIS 38 N -4.36 0.00 -1.09 0.00 -0.00 -1.26 -2.22 115.22 106.30 1khi n HIS 38 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.75 1khi n HIS 38 Cb 0.11 -0.09 0.24 0.00 -0.00 0.00 0.00 29.99 30.25 1khi n HIS 38 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1khi n HIS 39 N -1.09 0.98 -4.23 -1.40 -0.00 -0.13 -4.96 115.22 104.38 1khi n HIS 39 Ca 0.16 -1.03 -0.34 0.00 -0.00 0.00 0.00 57.72 56.50 1khi n HIS 39 Cb 0.11 -0.35 -0.14 0.00 -0.00 0.00 0.00 29.99 29.61 1khi n HIS 39 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1khi s ILE 40 N -2.92 3.38 0.27 1.59 1.01 -0.94 -4.91 121.20 118.68 1khi s ILE 40 Ca 0.43 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1khi s ILE 40 Cb 0.35 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 1khi s ILE 40 CO 0.07 0.46 -0.01 -0.13 0.00 0.00 0.00 174.94 175.34 1khi s ARG 41 N 0.97 1.49 0.30 2.79 3.00 -1.26 -5.07 118.95 121.17 1khi s ARG 41 Ca -0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 55.73 53.66 1khi s ARG 41 Cb -0.15 -0.86 -0.13 0.00 0.00 0.00 0.00 34.95 33.81 1khi s ARG 41 CO 0.00 -0.07 1.29 1.28 0.00 0.00 0.00 175.30 177.80 1khi n LEU 42 N -0.54 3.16 0.00 2.53 4.77 -1.26 -1.70 117.00 123.96 1khi n LEU 42 Ca -0.04 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1khi n LEU 42 Cb 0.64 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1khi n LEU 42 CO 0.39 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1khi n GLY 43 N 1.26 3.37 3.76 -0.72 0.00 0.05 -5.00 105.19 107.92 1khi n GLY 43 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1khi n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1khi s ASP 44 N -0.83 5.30 -0.24 1.61 1.01 -0.69 -4.53 116.67 118.32 1khi s ASP 44 Ca 0.00 2.23 -0.11 0.00 0.71 0.00 0.00 52.55 55.38 1khi s ASP 44 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1khi s ASP 44 CO 0.00 -1.51 0.21 -0.63 0.21 0.00 0.00 175.17 173.45 1khi s ILE 45 N -1.83 5.33 0.24 0.77 1.01 -1.26 -0.95 121.20 124.51 1khi s ILE 45 Ca 0.73 0.27 0.05 0.00 0.00 0.00 0.00 60.65 61.71 1khi s ILE 45 Cb -0.26 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1khi s ILE 45 CO 0.33 0.32 -0.05 -0.76 0.00 0.00 0.00 174.94 174.78 1khi s LEU 46 N 1.18 2.37 -0.35 2.97 1.43 -0.24 -4.35 118.68 121.69 1khi s LEU 46 Ca 0.09 -1.18 -0.19 0.00 -1.03 0.00 0.00 54.13 51.83 1khi s LEU 46 Cb -0.14 -0.46 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 1khi s LEU 46 CO 0.06 -0.40 0.57 -0.63 0.23 0.00 0.00 176.35 176.18 1khi s ILE 47 N -3.20 4.96 -0.13 -0.59 -1.09 -0.22 -0.15 121.20 120.77 1khi s ILE 47 Ca 0.27 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 59.18 1khi s ILE 47 Cb 0.04 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1khi s ILE 47 CO 0.09 -0.26 -0.22 -0.76 -1.23 0.00 0.00 174.94 172.56 1khi s LEU 48 N 2.54 2.13 -1.58 2.97 1.43 0.41 -4.64 118.68 121.96 1khi s LEU 48 Ca 0.21 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 1khi s LEU 48 Cb -0.15 -1.45 0.10 0.00 0.03 0.00 0.00 46.19 44.73 1khi s LEU 48 CO 0.14 0.10 0.88 0.00 0.23 0.00 0.00 176.35 177.70 1khi n GLN 49 N 3.95 -4.64 -0.94 1.70 6.02 -1.26 -1.44 117.38 120.76 1khi n GLN 49 Ca -0.20 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1khi n GLN 49 Cb 0.52 -5.31 0.00 0.00 1.02 0.00 0.00 30.24 26.47 1khi n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1khi n GLY 50 N -1.61 0.79 3.04 1.08 0.00 -1.26 -5.04 105.19 102.19 1khi n GLY 50 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1khi n GLY 50 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1khi s ARG 51 N -0.06 0.47 -0.03 1.61 1.70 -0.52 -4.91 118.95 117.21 1khi s ARG 51 Ca 0.00 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.27 1khi s ARG 51 Cb 0.00 -0.21 -0.07 0.00 -0.57 0.00 0.00 34.95 34.10 1khi s ARG 51 CO 0.00 0.03 1.80 -2.14 -1.08 0.00 0.00 175.30 173.91 1khi s PRO 52 N -1.46 4.11 0.06 3.89 0.02 -1.26 -0.44 135.00 139.92 1khi s PRO 52 Ca -0.10 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.28 1khi s PRO 52 Cb -0.09 -4.07 -0.03 0.00 0.02 0.00 0.00 34.50 30.33 1khi s PRO 52 CO 0.00 -0.95 -0.11 0.00 -0.33 0.00 0.00 177.00 175.61 1khi s GLN 54 N -1.71 4.09 0.07 0.00 0.74 -0.27 -1.07 119.66 121.50 1khi s GLN 54 Ca -0.06 0.44 -0.31 0.00 0.05 0.00 0.00 55.36 55.49 1khi s GLN 54 Cb -0.10 -3.65 -0.08 0.00 1.10 0.00 0.00 33.01 30.29 1khi s GLN 54 CO 0.01 -0.38 1.53 0.08 -0.55 0.00 0.00 175.29 175.98 1khi s VAL 55 N 2.38 3.23 -0.16 1.34 1.01 -0.12 -0.74 120.40 127.35 1khi s VAL 55 Ca 0.24 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.99 1khi s VAL 55 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1khi s VAL 55 CO 0.09 0.01 0.15 2.30 0.00 0.00 0.00 175.10 177.65 1khi n ILE 56 N 4.50 0.00 -3.66 2.22 -5.35 0.83 -0.77 119.36 117.13 1khi n ILE 56 Ca 0.14 -0.39 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 1khi n ILE 56 Cb 0.41 0.96 -0.08 0.00 -1.74 0.00 0.00 39.64 39.20 1khi n ILE 56 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1khi s ARG 57 N -1.40 0.68 -0.14 6.28 3.52 -1.04 -4.98 118.95 121.87 1khi s ARG 57 Ca 0.01 0.92 0.01 0.00 -0.13 0.00 0.00 55.73 56.54 1khi s ARG 57 Cb 0.03 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.70 1khi s ARG 57 CO 0.15 -0.11 -0.16 0.42 -0.81 0.00 0.00 175.30 174.79 1khi s ILE 58 N 0.70 1.68 0.33 4.11 1.01 -1.26 -1.33 121.20 126.44 1khi s ILE 58 Ca -0.03 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1khi s ILE 58 Cb -0.05 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1khi s ILE 58 CO -0.05 0.48 0.19 -0.94 0.00 0.00 0.00 174.94 174.62 1khi s SER 59 N 1.20 1.84 -0.12 3.58 1.04 -0.45 -4.97 113.70 115.81 1khi s SER 59 Ca -0.01 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.77 1khi s SER 59 Cb -0.14 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1khi s SER 59 CO -0.07 -0.96 -0.13 -0.89 0.98 0.00 0.00 173.24 172.17 1khi s THR 60 N -3.48 3.07 0.07 2.02 2.01 -1.26 0.08 115.64 118.16 1khi s THR 60 Ca 0.35 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 61.38 1khi s THR 60 Cb 0.03 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.20 1khi s THR 60 CO 0.20 0.53 1.31 -0.55 -0.69 0.00 0.00 174.62 175.42 1khi s SER 61 N 0.21 6.93 0.32 3.53 0.15 0.27 -4.91 113.70 120.21 1khi s SER 61 Ca -0.08 2.16 0.11 0.00 0.70 0.00 0.00 55.95 58.84 1khi s SER 61 Cb -0.15 -2.58 0.55 0.00 -1.71 0.00 0.00 66.02 62.13 1khi s SER 61 CO 0.05 -0.59 1.73 0.00 1.20 0.00 0.00 173.24 175.64 1khi h ALA 62 N 6.96 1.20 0.15 5.45 0.00 -1.96 0.89 119.26 131.94 1khi h ALA 62 Ca -0.41 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 53.79 1khi h ALA 62 Cb 1.21 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1khi h ALA 62 CO 0.85 0.59 -1.28 0.00 0.00 0.00 0.00 179.25 179.41 1khi h ALA 63 N 1.50 0.04 0.00 0.00 0.00 -1.97 -3.40 119.26 115.43 1khi h ALA 63 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1khi h ALA 63 Cb 0.83 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1khi h ALA 63 CO 0.06 0.84 -1.15 0.25 0.00 0.00 0.00 179.25 179.26 1khi n THR 64 N -3.64 0.00 -1.00 0.00 -2.24 -1.23 -5.00 114.28 101.17 1khi n THR 64 Ca -0.11 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1khi n THR 64 Cb 1.02 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1khi n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1khi n GLY 65 N 2.07 0.77 3.91 3.38 0.00 0.31 -5.00 105.19 110.63 1khi n GLY 65 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1khi n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1khi s GLN 66 N -0.00 3.44 0.22 1.61 -0.21 -1.26 -4.68 119.66 118.78 1khi s GLN 66 Ca 0.00 0.20 -0.30 0.00 0.02 0.00 0.00 55.36 55.28 1khi s GLN 66 Cb 0.00 -2.34 -0.09 0.00 1.00 0.00 0.00 33.01 31.58 1khi s GLN 66 CO 0.00 -0.31 1.13 -1.01 -2.12 0.00 0.00 175.29 172.98 1khi s HIS 67 N -2.81 3.53 -0.11 0.91 3.76 -1.26 -0.57 115.29 118.75 1khi s HIS 67 Ca 0.49 1.59 0.03 0.00 -0.15 0.00 0.00 55.06 57.01 1khi s HIS 67 Cb -0.10 -3.33 -0.01 0.00 1.11 0.00 0.00 32.58 30.25 1khi s HIS 67 CO 0.45 -0.77 -0.19 0.50 -0.85 0.00 0.00 174.74 173.88 1khi s ARG 68 N -0.77 3.12 -0.13 1.40 3.52 0.11 -1.42 118.95 124.77 1khi s ARG 68 Ca 0.48 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 1khi s ARG 68 Cb -0.31 -2.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1khi s ARG 68 CO 0.38 0.23 -0.11 0.71 -0.81 0.00 0.00 175.30 175.70 1khi s TYR 69 N 0.26 2.85 -0.19 5.12 1.51 -0.24 -1.34 117.35 125.32 1khi s TYR 69 Ca -0.13 -0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1khi s TYR 69 Cb -0.17 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1khi s TYR 69 CO 0.07 -0.14 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.17 1khi s LEU 70 N 0.27 3.17 0.14 -1.29 2.96 -0.45 -1.99 118.68 121.49 1khi s LEU 70 Ca -0.08 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1khi s LEU 70 Cb -0.15 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1khi s LEU 70 CO 0.05 0.08 0.13 -0.83 -1.32 0.00 0.00 176.35 174.46 1khi s GLY 71 N 0.87 0.85 -0.26 7.98 0.00 -0.23 -0.12 107.32 116.41 1khi s GLY 71 Ca -0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 1khi s GLY 71 CO 0.02 -1.20 0.09 0.14 0.00 0.00 0.00 173.10 172.15 1khi s VAL 72 N -4.03 4.42 -0.01 1.40 1.01 0.08 -1.34 120.40 121.94 1khi s VAL 72 Ca 0.23 -0.18 -0.34 0.00 0.00 0.00 0.00 61.98 61.69 1khi s VAL 72 Cb 0.06 -3.10 -0.12 0.00 0.00 0.00 0.00 36.38 33.22 1khi s VAL 72 CO 0.02 0.30 1.81 -0.67 0.00 0.00 0.00 175.10 176.55 1khi n ASP 73 N 4.94 3.43 0.07 3.32 -0.08 0.26 -1.11 116.55 127.38 1khi n ASP 73 Ca -0.16 1.00 0.09 0.00 -1.51 0.00 0.00 54.79 54.21 1khi n ASP 73 Cb 0.51 -1.40 0.54 0.00 2.34 0.00 0.00 41.12 43.11 1khi n ASP 73 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1khi h LEU 74 N 8.42 0.24 0.01 -2.67 3.38 -1.58 0.18 115.31 123.29 1khi h LEU 74 Ca -0.48 -0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.21 1khi h LEU 74 Cb 1.26 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1khi h LEU 74 CO 0.93 0.17 -1.52 0.49 0.09 0.00 0.00 178.44 178.60 1khi n PHE 75 N -4.49 0.86 0.33 1.13 3.01 -1.26 -4.59 117.46 112.46 1khi n PHE 75 Ca 0.03 0.36 0.12 0.00 1.01 0.00 0.00 57.45 58.96 1khi n PHE 75 Cb 0.19 -1.09 0.04 0.00 -0.01 0.00 0.00 39.48 38.61 1khi n PHE 75 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1khi n THR 76 N -4.35 0.40 -1.09 4.37 -2.24 -1.23 -4.96 114.28 105.18 1khi n THR 76 Ca -0.36 -0.40 -0.03 0.00 -2.27 0.00 0.00 64.05 60.99 1khi n THR 76 Cb 0.74 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 1khi n THR 76 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1khi n LYS 77 N -2.32 -0.88 -2.69 -0.78 4.76 0.64 -4.98 118.16 111.90 1khi n LYS 77 Ca 0.01 0.44 -0.30 0.00 -2.87 0.00 0.00 58.31 55.59 1khi n LYS 77 Cb 0.49 -4.23 -0.02 0.00 -1.84 0.00 0.00 35.03 29.44 1khi n LYS 77 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1khi s GLN 78 N -1.57 3.71 0.07 1.97 -1.52 -1.26 -4.64 119.66 116.43 1khi s GLN 78 Ca 0.00 0.44 -0.20 0.00 -1.95 0.00 0.00 55.36 53.65 1khi s GLN 78 Cb 0.00 -2.35 -0.07 0.00 -0.22 0.00 0.00 33.01 30.37 1khi s GLN 78 CO 0.00 -0.14 0.58 -0.51 -0.25 0.00 0.00 175.29 174.98 1khi s LEU 79 N -4.21 4.53 0.04 2.90 1.43 -1.26 -0.57 118.68 121.54 1khi s LEU 79 Ca 0.51 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1khi s LEU 79 Cb -0.10 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 1khi s LEU 79 CO 0.37 0.26 -0.04 -1.00 0.23 0.00 0.00 176.35 176.17 1khi s HIS 80 N -1.05 0.49 0.02 0.29 3.76 -0.45 -4.96 115.29 113.38 1khi s HIS 80 Ca 0.30 -0.74 0.03 0.00 -0.15 0.00 0.00 55.06 54.49 1khi s HIS 80 Cb -0.20 -0.33 -0.01 0.00 1.11 0.00 0.00 32.58 33.15 1khi s HIS 80 CO 0.19 -0.23 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.56 1khi s GLU 81 N -2.54 0.61 -0.19 1.40 2.02 -1.26 -1.07 118.70 117.67 1khi s GLU 81 Ca -0.04 -0.51 -0.24 0.00 0.02 0.00 0.00 54.97 54.19 1khi s GLU 81 Cb -0.03 -0.53 0.06 0.00 0.10 0.00 0.00 34.13 33.74 1khi s GLU 81 CO -0.04 0.13 0.63 -2.00 0.02 0.00 0.00 175.26 174.00 1khi s GLU 82 N -0.83 0.81 0.29 1.61 2.12 -0.84 -4.57 118.70 117.29 1khi s GLU 82 Ca -0.02 0.70 0.06 0.00 0.36 0.00 0.00 54.97 56.07 1khi s GLU 82 Cb -0.06 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.70 1khi s GLU 82 CO 0.00 -0.15 0.40 -1.12 -0.54 0.00 0.00 175.26 173.86 1khi s SER 83 N -0.07 6.07 0.75 -1.70 0.01 -1.26 -1.08 113.70 116.42 1khi s SER 83 Ca -0.03 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 1khi s SER 83 Cb -0.04 -1.51 0.12 0.00 0.21 0.00 0.00 66.02 64.80 1khi s SER 83 CO 0.03 -0.25 1.05 -0.94 0.41 0.00 0.00 173.24 173.54 1khi s SER 84 N -4.06 4.30 0.05 2.44 1.04 -0.51 -4.98 113.70 111.98 1khi s SER 84 Ca 0.39 0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.78 1khi s SER 84 Cb -0.09 -0.47 -0.00 0.00 0.10 0.00 0.00 66.02 65.56 1khi s SER 84 CO 0.30 -1.91 0.18 0.72 0.98 0.00 0.00 173.24 173.50 1khi s PHE 85 N -3.30 0.11 -0.09 5.02 -0.12 -1.26 -4.68 117.98 113.66 1khi s PHE 85 Ca 0.65 -0.39 -0.14 0.00 -0.05 0.00 0.00 56.93 57.00 1khi s PHE 85 Cb -0.07 -0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 1khi s PHE 85 CO 0.46 -0.45 0.34 0.08 -0.05 0.00 0.00 175.22 175.60 1khi s VAL 86 N -2.91 5.21 0.16 -2.49 1.01 -1.26 -4.36 120.40 115.75 1khi s VAL 86 Ca -0.02 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.71 1khi s VAL 86 Cb 0.01 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1khi s VAL 86 CO -0.06 0.49 -0.17 -0.94 0.00 0.00 0.00 175.10 174.42 1khi s SER 87 N -0.32 2.50 -0.52 3.32 1.04 -0.95 -4.99 113.70 113.77 1khi s SER 87 Ca 0.20 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1khi s SER 87 Cb -0.15 -0.13 0.15 0.00 0.10 0.00 0.00 66.02 65.99 1khi s SER 87 CO 0.08 -0.08 0.32 0.20 0.98 0.00 0.00 173.24 174.75 1khi s ASN 88 N -2.68 3.88 0.08 7.02 -0.87 -1.26 -1.69 114.94 119.42 1khi s ASN 88 Ca 0.15 -3.08 -0.35 0.00 -1.57 0.00 0.00 52.86 48.01 1khi s ASN 88 Cb -0.05 -1.28 -0.17 0.00 -0.02 0.00 0.00 41.25 39.73 1khi s ASN 88 CO 0.06 -0.20 1.59 -0.65 -2.57 0.00 0.00 177.10 175.32 1khi h PRO 89 N 6.22 -0.96 -5.30 -0.60 0.11 -1.97 -3.46 132.00 126.04 1khi h PRO 89 Ca 0.04 0.07 -0.48 0.00 0.11 0.00 0.00 66.00 65.74 1khi h PRO 89 Cb 0.87 0.22 -0.14 0.00 0.11 0.00 0.00 31.00 32.06 1khi h PRO 89 CO 0.58 -0.64 -0.62 0.00 -0.21 0.00 0.00 178.00 177.11 1khi s ALA 90 N -5.96 2.36 0.17 -0.75 0.00 -1.26 -5.05 121.76 111.27 1khi s ALA 90 Ca -0.18 -2.02 -0.33 0.00 0.00 0.00 0.00 51.96 49.42 1khi s ALA 90 Cb 0.04 0.53 -0.14 0.00 0.00 0.00 0.00 23.12 23.55 1khi s ALA 90 CO 0.61 -0.25 1.51 -2.30 0.00 0.00 0.00 175.76 175.34 1khi n PRO 91 N -0.66 2.03 -0.90 0.00 -0.02 -1.26 -1.08 135.00 133.11 1khi n PRO 91 Ca -0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1khi n PRO 91 Cb 0.66 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1khi n PRO 91 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1khi n SER 92 N 3.02 -3.23 -4.30 2.55 7.64 -1.26 -4.96 113.62 113.08 1khi n SER 92 Ca 0.16 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.64 1khi n SER 92 Cb 0.29 -2.03 -0.11 0.00 -1.01 0.00 0.00 64.21 61.35 1khi n SER 92 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1khi s VAL 93 N -1.67 4.14 -0.24 0.44 1.01 -0.24 -5.05 120.40 118.79 1khi s VAL 93 Ca 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 61.98 60.76 1khi s VAL 93 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1khi s VAL 93 CO 0.00 -0.31 0.04 -0.69 0.00 0.00 0.00 175.10 174.14 1khi s VAL 94 N 1.45 4.06 -0.06 2.92 1.01 -1.26 -3.67 120.40 124.85 1khi s VAL 94 Ca 0.01 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1khi s VAL 94 Cb -0.21 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1khi s VAL 94 CO 0.04 0.36 -0.15 0.68 0.00 0.00 0.00 175.10 176.03 1khi s VAL 95 N 1.55 2.94 -0.12 2.92 -7.23 -0.68 -4.99 120.40 114.79 1khi s VAL 95 Ca 0.06 -0.76 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1khi s VAL 95 Cb -0.15 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1khi s VAL 95 CO 0.02 0.58 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.76 1khi s GLN 96 N -0.54 1.21 0.18 4.82 0.74 -1.26 -2.24 119.66 122.57 1khi s GLN 96 Ca 0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 55.36 55.25 1khi s GLN 96 Cb -0.11 -1.55 -0.04 0.00 1.10 0.00 0.00 33.01 32.41 1khi s GLN 96 CO 0.01 -0.33 0.10 0.95 -0.55 0.00 0.00 175.29 175.47 1khi s THR 97 N 1.77 0.04 0.16 -0.34 -4.23 -1.26 -1.03 115.64 110.75 1khi s THR 97 Ca 0.04 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1khi s THR 97 Cb -0.13 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1khi s THR 97 CO -0.07 -0.15 0.03 -0.04 -0.54 0.00 0.00 174.62 173.84 1khi s MET 98 N -4.12 1.04 -0.05 3.99 -1.94 -0.69 -4.54 119.30 112.99 1khi s MET 98 Ca 0.34 -1.50 -0.05 0.00 -1.71 0.00 0.00 55.69 52.77 1khi s MET 98 Cb 0.07 -0.05 -0.04 0.00 2.01 0.00 0.00 34.83 36.82 1khi s MET 98 CO 0.09 -0.19 0.18 -0.51 -0.01 0.00 0.00 175.02 174.58 1khi s LEU 99 N -3.12 4.38 0.17 -0.03 1.43 -1.26 -1.08 118.68 119.17 1khi s LEU 99 Ca 0.24 0.44 0.11 0.00 -1.03 0.00 0.00 54.13 53.89 1khi s LEU 99 Cb 0.07 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1khi s LEU 99 CO 0.03 0.32 -0.23 -0.83 0.23 0.00 0.00 176.35 175.87 1khi s GLY 100 N -1.52 1.60 0.53 -3.19 0.00 -0.42 -1.06 107.32 103.27 1khi s GLY 100 Ca 0.22 -1.56 -0.17 0.00 0.00 0.00 0.00 44.72 43.21 1khi s GLY 100 CO 0.12 -1.59 1.01 2.56 0.00 0.00 0.00 173.10 175.20 1khi s PRO 101 N -2.56 3.78 -0.25 2.90 0.04 -1.26 -1.47 135.00 136.17 1khi s PRO 101 Ca 0.18 1.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.09 1khi s PRO 101 Cb -0.08 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1khi s PRO 101 CO 0.08 -0.42 0.62 0.08 0.04 0.00 0.00 177.00 177.40 1khi s VAL 102 N -2.49 4.99 0.07 -0.36 1.01 -0.15 -4.74 120.40 118.74 1khi s VAL 102 Ca 0.61 1.12 -0.17 0.00 0.00 0.00 0.00 61.98 63.54 1khi s VAL 102 Cb -0.12 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1khi s VAL 102 CO 0.31 0.04 0.53 -0.36 0.00 0.00 0.00 175.10 175.61 1khi s PHE 103 N 2.44 3.75 0.21 5.22 0.40 -1.26 -4.68 117.98 124.05 1khi s PHE 103 Ca 0.26 1.17 0.05 0.00 -0.60 0.00 0.00 56.93 57.81 1khi s PHE 103 Cb -0.16 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.92 1khi s PHE 103 CO 0.09 0.57 0.26 0.15 0.70 0.00 0.00 175.22 176.98 1khi s LYS 104 N -1.30 3.20 -0.22 0.44 1.02 -0.51 -4.85 119.74 117.53 1khi s LYS 104 Ca 0.30 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1khi s LYS 104 Cb -0.18 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1khi s LYS 104 CO 0.18 0.46 -0.12 -0.65 -0.92 0.00 0.00 175.35 174.30 1khi s GLN 105 N -3.59 2.95 0.22 1.68 -0.21 -1.26 0.02 119.66 119.47 1khi s GLN 105 Ca 0.33 -0.88 0.09 0.00 0.02 0.00 0.00 55.36 54.92 1khi s GLN 105 Cb -0.09 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 31.06 1khi s GLN 105 CO 0.27 -0.30 -0.02 0.71 -2.12 0.00 0.00 175.29 173.83 1khi s TYR 106 N 1.32 2.73 0.27 0.91 2.02 -0.84 -4.44 117.35 119.33 1khi s TYR 106 Ca 0.02 -0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 1khi s TYR 106 Cb -0.15 -1.27 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 1khi s TYR 106 CO -0.08 0.57 0.54 1.03 -1.57 0.00 0.00 175.55 176.04 1khi s ARG 107 N -3.30 3.66 -0.29 -0.62 0.52 0.24 -1.55 118.95 117.61 1khi s ARG 107 Ca 0.29 0.04 -0.10 0.00 -0.52 0.00 0.00 55.73 55.44 1khi s ARG 107 Cb -0.08 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 1khi s ARG 107 CO 0.19 0.24 0.16 0.08 0.02 0.00 0.00 175.30 175.98 1khi s VAL 108 N -2.03 4.83 -0.16 3.52 1.01 -1.19 -1.27 120.40 125.11 1khi s VAL 108 Ca 0.44 -0.17 0.15 0.00 0.00 0.00 0.00 61.98 62.40 1khi s VAL 108 Cb -0.11 -3.37 -0.24 0.00 0.00 0.00 0.00 36.38 32.66 1khi s VAL 108 CO 0.28 0.17 0.23 0.18 0.00 0.00 0.00 175.10 175.96 1khi n LEU 109 N 5.01 0.53 -3.49 3.92 4.77 0.25 -4.70 117.00 123.29 1khi n LEU 109 Ca -0.14 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1khi n LEU 109 Cb 0.51 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 1khi n LEU 109 CO 0.33 0.51 0.59 -0.62 -1.33 0.00 0.00 177.39 176.88 1khi s ASP 110 N -5.78 -0.45 -0.06 -1.43 2.15 -1.16 -4.97 116.67 104.98 1khi s ASP 110 Ca -0.11 0.08 0.03 0.00 0.43 0.00 0.00 52.55 52.99 1khi s ASP 110 Cb 0.07 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.15 1khi s ASP 110 CO 0.81 -0.70 -0.14 -0.04 -0.17 0.00 0.00 175.17 174.93 1khi s MET 111 N -3.00 1.82 -0.21 4.34 -1.94 -1.26 0.04 119.30 119.10 1khi s MET 111 Ca 0.02 -0.50 -0.04 0.00 -1.71 0.00 0.00 55.69 53.46 1khi s MET 111 Cb -0.01 -1.50 0.11 0.00 2.01 0.00 0.00 34.83 35.43 1khi s MET 111 CO -0.08 0.10 0.33 -1.14 -0.01 0.00 0.00 175.02 174.21 1khi s GLN 112 N 0.46 0.27 -0.33 2.03 2.00 -0.30 -4.99 119.66 118.80 1khi s GLN 112 Ca -0.12 0.57 -0.29 0.00 -2.00 0.00 0.00 55.36 53.52 1khi s GLN 112 Cb -0.15 -0.45 0.04 0.00 0.80 0.00 0.00 33.01 33.26 1khi s GLN 112 CO 0.04 -0.52 0.48 -0.25 -0.50 0.00 0.00 175.29 174.54 1khi n ASP 113 N 5.36 -4.69 0.00 6.67 8.00 -1.26 -2.40 116.55 128.22 1khi n ASP 113 Ca -0.05 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1khi n ASP 113 Cb 0.50 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1khi n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1khi n GLY 114 N 0.03 2.54 3.65 0.44 0.00 -1.26 -4.96 105.19 105.64 1khi n GLY 114 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1khi n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1khi s SER 115 N -0.28 3.89 0.11 1.61 1.04 -1.01 -3.71 113.70 115.34 1khi s SER 115 Ca 0.00 -1.45 0.02 0.00 0.48 0.00 0.00 55.95 55.01 1khi s SER 115 Cb 0.00 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1khi s SER 115 CO 0.00 -0.56 -0.07 0.27 0.98 0.00 0.00 173.24 173.85 1khi s ILE 116 N -2.77 0.79 -0.33 -1.02 -4.36 -0.61 -1.15 121.20 111.75 1khi s ILE 116 Ca 0.27 -1.94 -0.16 0.00 -0.26 0.00 0.00 60.65 58.57 1khi s ILE 116 Cb 0.08 -1.69 -0.02 0.00 1.25 0.00 0.00 42.46 42.08 1khi s ILE 116 CO 0.14 -0.84 0.40 -0.69 0.24 0.00 0.00 174.94 174.19 1khi s VAL 117 N -3.51 5.13 0.32 8.37 1.01 0.11 -1.33 120.40 130.49 1khi s VAL 117 Ca 0.12 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.43 1khi s VAL 117 Cb 0.04 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1khi s VAL 117 CO -0.04 -0.06 0.02 0.00 0.00 0.00 0.00 175.10 175.02 1khi s ALA 118 N 2.12 3.21 -0.03 5.51 0.00 -0.12 -0.58 121.76 131.86 1khi s ALA 118 Ca 0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 51.96 50.24 1khi s ALA 118 Cb -0.16 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.45 1khi s ALA 118 CO 0.12 0.13 0.07 1.41 0.00 0.00 0.00 175.76 177.48 1khi s MET 119 N -3.71 0.00 1.05 0.00 1.75 -0.39 -0.48 119.30 117.52 1khi s MET 119 Ca 0.34 0.24 -0.15 0.00 -1.25 0.00 0.00 55.69 54.87 1khi s MET 119 Cb -0.03 -0.22 0.21 0.00 2.84 0.00 0.00 34.83 37.64 1khi s MET 119 CO 0.20 -0.16 1.13 0.95 -0.65 0.00 0.00 175.02 176.48 1khi s THR 120 N 1.07 1.87 0.53 10.11 -4.23 -0.32 -0.59 115.64 124.08 1khi s THR 120 Ca -0.09 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.62 1khi s THR 120 Cb -0.12 -2.59 0.31 0.00 1.34 0.00 0.00 72.50 71.44 1khi s THR 120 CO -0.04 0.00 2.12 -0.08 -0.54 0.00 0.00 174.62 176.08 1khi h GLU 121 N -2.04 0.00 -0.07 3.99 4.81 -1.91 -1.80 114.58 117.56 1khi h GLU 121 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1khi h GLU 121 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1khi h GLU 121 CO 0.49 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.02 1khi n THR 122 N -4.41 0.07 -0.04 0.32 -2.24 -1.26 -4.94 114.28 101.77 1khi n THR 122 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1khi n THR 122 Cb 0.22 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1khi n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1khi n GLY 123 N 1.22 0.49 3.67 3.38 0.00 -0.68 -5.05 105.19 108.23 1khi n GLY 123 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1khi n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1khi s ASP 124 N -2.94 6.72 -0.19 1.61 2.15 -1.26 -4.75 116.67 118.02 1khi s ASP 124 Ca 0.00 2.16 -0.18 0.00 0.43 0.00 0.00 52.55 54.96 1khi s ASP 124 Cb 0.00 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 1khi s ASP 124 CO 0.00 -0.88 0.50 -0.69 -0.17 0.00 0.00 175.17 173.93 1khi s VAL 125 N 3.69 5.13 -0.44 1.11 1.01 -1.26 -1.17 120.40 128.46 1khi s VAL 125 Ca 0.70 0.92 -0.09 0.00 0.00 0.00 0.00 61.98 63.51 1khi s VAL 125 Cb -0.32 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.33 1khi s VAL 125 CO 0.27 0.20 0.29 -0.54 0.00 0.00 0.00 175.10 175.33 1khi s LYS 126 N 1.49 2.56 0.39 2.72 -0.14 0.37 -4.99 119.74 122.15 1khi s LYS 126 Ca 0.24 -1.57 0.14 0.00 -1.36 0.00 0.00 55.97 53.41 1khi s LYS 126 Cb -0.15 -3.84 0.81 0.00 -1.68 0.00 0.00 37.83 32.97 1khi s LYS 126 CO 0.09 -1.04 1.87 0.37 -0.76 0.00 0.00 175.35 175.89 1khi h GLN 127 N 8.42 0.00 -1.61 1.68 5.75 -1.83 -0.29 115.11 127.23 1khi h GLN 127 Ca -0.22 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 57.81 1khi h GLN 127 Cb 1.08 0.00 -0.41 0.00 1.07 0.00 0.00 27.48 29.22 1khi h GLN 127 CO 0.80 0.32 -1.06 0.09 -2.65 0.00 0.00 178.83 176.33 1khi n ASN 128 N -4.13 2.10 -4.66 -0.69 3.02 -1.25 -4.12 115.26 105.52 1khi n ASN 128 Ca -0.02 -3.09 -0.42 0.00 -0.03 0.00 0.00 54.58 51.01 1khi n ASN 128 Cb 0.36 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1khi n ASN 128 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1khi s LEU 129 N -2.98 4.27 0.63 3.41 2.96 -0.45 -4.75 118.68 121.78 1khi s LEU 129 Ca 0.38 2.15 -0.15 0.00 -0.22 0.00 0.00 54.13 56.29 1khi s LEU 129 Cb 0.39 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 1khi s LEU 129 CO -0.06 -0.95 1.07 -2.16 -1.32 0.00 0.00 176.35 172.93 1khi s PRO 130 N 4.07 3.10 -0.14 0.98 0.04 -1.26 -1.57 135.00 140.22 1khi s PRO 130 Ca 0.72 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.99 1khi s PRO 130 Cb -0.32 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1khi s PRO 130 CO 0.29 -0.99 -0.22 0.08 0.04 0.00 0.00 177.00 176.20 1khi s VAL 131 N -2.55 2.02 0.46 -0.36 1.01 -1.24 -1.19 120.40 118.55 1khi s VAL 131 Ca 0.63 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1khi s VAL 131 Cb -0.17 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 1khi s VAL 131 CO 0.42 0.54 1.39 -0.51 0.00 0.00 0.00 175.10 176.94 1khi s ILE 132 N 0.80 2.17 -0.99 2.22 2.07 -0.47 -4.92 121.20 122.08 1khi s ILE 132 Ca -0.08 0.15 -0.15 0.00 -1.41 0.00 0.00 60.65 59.16 1khi s ILE 132 Cb -0.16 -3.08 0.19 0.00 0.13 0.00 0.00 42.46 39.54 1khi s ILE 132 CO -0.01 0.02 1.08 -0.62 -1.91 0.00 0.00 174.94 173.49 1khi s ASP 133 N -0.65 6.89 -0.14 4.50 2.15 -1.26 -4.56 116.67 123.60 1khi s ASP 133 Ca 0.63 -2.71 -0.07 0.00 0.43 0.00 0.00 52.55 50.82 1khi s ASP 133 Cb -0.42 -2.31 0.05 0.00 -0.30 0.00 0.00 42.92 39.95 1khi s ASP 133 CO 0.53 -0.71 0.33 -1.58 -0.17 0.00 0.00 175.17 173.56 1khi s GLN 134 N 0.99 0.30 -1.52 4.34 2.00 -1.26 -4.93 119.66 119.57 1khi s GLN 134 Ca 0.30 0.66 -0.11 0.00 -2.00 0.00 0.00 55.36 54.20 1khi s GLN 134 Cb -0.07 -0.07 0.08 0.00 0.80 0.00 0.00 33.01 33.75 1khi s GLN 134 CO -0.07 -0.16 0.83 0.43 -0.50 0.00 0.00 175.29 175.82 1khi n SER 135 N 4.24 -3.38 -3.61 6.67 7.64 -1.26 -1.96 113.62 121.96 1khi n SER 135 Ca -0.24 -0.87 -0.27 0.00 1.01 0.00 0.00 58.87 58.50 1khi n SER 135 Cb 0.54 -3.55 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 1khi n SER 135 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1khi n SER 136 N -2.85 -4.15 -0.27 6.43 7.64 -1.26 -4.86 113.62 114.29 1khi n SER 136 Ca -0.04 -0.58 -0.01 0.00 1.01 0.00 0.00 58.87 59.25 1khi n SER 136 Cb 0.56 -3.38 0.11 0.00 -1.01 0.00 0.00 64.21 60.48 1khi n SER 136 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1khi h LEU 137 N -1.37 0.75 -0.43 -3.43 5.85 -1.66 -1.76 115.31 113.27 1khi h LEU 137 Ca -0.50 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 1khi h LEU 137 Cb 1.33 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1khi h LEU 137 CO 0.61 0.50 0.25 -0.25 -0.34 0.00 0.00 178.44 179.21 1khi h TRP 138 N 0.89 0.58 -0.47 1.25 2.91 -1.86 0.21 115.95 119.45 1khi h TRP 138 Ca 0.32 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.28 1khi h TRP 138 Cb 0.10 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 1khi h TRP 138 CO -0.04 0.42 0.08 -0.91 -1.03 0.00 0.00 178.44 176.96 1khi h ASN 139 N 0.56 0.75 -0.67 2.65 2.35 -1.89 -0.09 115.58 119.24 1khi h ASN 139 Ca 0.15 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 1khi h ASN 139 Cb 0.02 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1khi h ASN 139 CO -0.03 0.82 0.11 0.03 -1.65 0.00 0.00 177.43 176.71 1khi h ARG 140 N 0.65 1.12 -0.15 0.81 3.08 -1.14 -1.76 114.38 117.00 1khi h ARG 140 Ca 0.14 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1khi h ARG 140 Cb 0.39 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1khi h ARG 140 CO 0.01 1.02 0.05 1.25 -1.07 0.00 0.00 179.97 181.23 1khi h LEU 141 N 1.05 0.21 -1.02 3.04 5.85 -0.35 -2.07 115.31 122.01 1khi h LEU 141 Ca 0.20 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1khi h LEU 141 Cb 0.45 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1khi h LEU 141 CO 0.01 0.36 0.27 -0.61 -0.34 0.00 0.00 178.44 178.13 1khi h GLN 142 N 0.06 0.97 -0.38 1.25 4.15 -0.92 0.24 115.11 120.48 1khi h GLN 142 Ca 0.05 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1khi h GLN 142 Cb 0.22 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1khi h GLN 142 CO -0.00 0.79 0.17 -0.22 -1.93 0.00 0.00 178.83 177.63 1khi h LYS 143 N 0.95 0.55 -0.25 1.69 3.64 -1.18 -1.69 116.57 120.29 1khi h LYS 143 Ca 0.22 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 1khi h LYS 143 Cb 0.17 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1khi h LYS 143 CO -0.02 0.51 -0.36 0.00 -2.27 0.00 0.00 179.45 177.31 1khi h ALA 144 N 1.02 0.92 -0.40 5.00 0.00 -1.01 -3.13 119.26 121.65 1khi h ALA 144 Ca 0.13 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1khi h ALA 144 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1khi h ALA 144 CO -0.01 0.62 0.15 0.35 0.00 0.00 0.00 179.25 180.36 1khi h PHE 145 N 0.46 0.62 0.00 0.00 3.57 -0.71 -2.60 116.94 118.28 1khi h PHE 145 Ca 0.05 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1khi h PHE 145 Cb 0.84 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1khi h PHE 145 CO 0.03 0.56 0.00 0.39 -2.23 0.00 0.00 178.31 177.06 1khi n GLU 146 N -4.63 0.56 -0.63 1.11 1.02 -0.66 -1.82 120.64 115.60 1khi n GLU 146 Ca -0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 1khi n GLU 146 Cb 0.15 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1khi n GLU 146 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1khi n SER 147 N -0.75 0.13 0.00 1.62 3.41 -1.00 -4.93 113.62 112.09 1khi n SER 147 Ca 0.07 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1khi n SER 147 Cb 0.03 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1khi n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1khi n GLY 148 N 0.06 0.00 0.25 5.00 0.00 -1.06 -5.05 105.19 104.39 1khi n GLY 148 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1khi n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khi n ARG 149 N 0.00 -0.12 0.28 1.61 1.74 -0.75 0.59 116.66 120.01 1khi n ARG 149 Ca 0.00 1.01 0.15 0.00 -0.77 0.00 0.00 57.85 58.24 1khi n ARG 149 Cb 0.00 -1.51 0.79 0.00 -1.02 0.00 0.00 32.46 30.72 1khi n ARG 149 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1khi h GLY 150 N 0.00 0.00 0.09 -0.13 0.00 -1.89 -2.46 103.07 98.68 1khi h GLY 150 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1khi h GLY 150 CO -0.66 0.00 -0.29 -1.14 0.00 0.00 0.00 176.54 174.45 1khi n SER 151 N -3.49 1.14 -4.73 0.19 3.41 0.20 -4.89 113.62 105.45 1khi n SER 151 Ca -0.02 -0.96 -0.40 0.00 -0.26 0.00 0.00 58.87 57.24 1khi n SER 151 Cb 0.22 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1khi n SER 151 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1khi s VAL 152 N -2.51 4.91 0.08 -3.33 1.01 -0.93 0.20 120.40 119.84 1khi s VAL 152 Ca 0.23 1.48 0.05 0.00 0.00 0.00 0.00 61.98 63.74 1khi s VAL 152 Cb 0.19 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1khi s VAL 152 CO 0.53 0.32 -0.13 -0.13 0.00 0.00 0.00 175.10 175.69 1khi s ARG 153 N 0.34 0.83 -0.04 2.72 1.81 -0.22 -3.20 118.95 121.18 1khi s ARG 153 Ca 0.37 -1.01 0.06 0.00 -1.72 0.00 0.00 55.73 53.44 1khi s ARG 153 Cb -0.19 -0.76 -0.02 0.00 -0.45 0.00 0.00 34.95 33.54 1khi s ARG 153 CO 0.20 0.16 -0.23 0.14 -0.68 0.00 0.00 175.30 174.88 1khi s VAL 154 N -1.55 2.27 -0.11 3.52 -7.23 -0.59 -0.31 120.40 116.39 1khi s VAL 154 Ca -0.00 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.93 1khi s VAL 154 Cb -0.08 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1khi s VAL 154 CO 0.02 0.58 0.67 -0.76 -0.31 0.00 0.00 175.10 175.29 1khi s LEU 155 N -0.47 4.26 -0.06 1.32 1.43 -0.01 -1.98 118.68 123.17 1khi s LEU 155 Ca 0.06 1.06 0.06 0.00 -1.03 0.00 0.00 54.13 54.27 1khi s LEU 155 Cb -0.11 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 1khi s LEU 155 CO 0.01 -0.16 -0.24 -0.69 0.23 0.00 0.00 176.35 175.49 1khi s VAL 156 N 1.15 2.02 -0.18 -1.59 1.01 0.10 -0.65 120.40 122.26 1khi s VAL 156 Ca 0.34 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1khi s VAL 156 Cb -0.17 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1khi s VAL 156 CO 0.15 0.56 0.16 -0.69 0.00 0.00 0.00 175.10 175.27 1khi s VAL 157 N -0.06 5.40 -0.17 2.92 1.01 -0.58 -1.43 120.40 127.50 1khi s VAL 157 Ca -0.06 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1khi s VAL 157 Cb -0.14 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1khi s VAL 157 CO 0.05 0.45 -0.19 -0.44 0.00 0.00 0.00 175.10 174.97 1khi s SER 158 N 0.21 3.23 -0.13 3.32 0.01 -1.26 -1.98 113.70 117.10 1khi s SER 158 Ca 0.10 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 1khi s SER 158 Cb -0.11 -1.49 0.06 0.00 0.21 0.00 0.00 66.02 64.69 1khi s SER 158 CO -0.00 0.02 0.28 -0.62 0.41 0.00 0.00 173.24 173.33 1khi s ASP 159 N 1.16 0.19 -1.34 2.44 2.15 0.09 -3.65 116.67 117.71 1khi s ASP 159 Ca 0.02 0.63 -0.09 0.00 0.43 0.00 0.00 52.55 53.54 1khi s ASP 159 Cb -0.14 0.73 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 1khi s ASP 159 CO -0.09 -0.23 0.49 1.41 -0.17 0.00 0.00 175.17 176.58 1khi n HIS 160 N 5.18 -1.64 0.00 -5.34 8.25 -0.25 -1.31 115.22 120.10 1khi n HIS 160 Ca -0.09 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1khi n HIS 160 Cb 0.50 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.13 1khi n HIS 160 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1khi n GLY 161 N -1.99 2.68 3.83 -1.41 0.00 -1.17 -4.82 105.19 102.31 1khi n GLY 161 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1khi n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1khi s ARG 162 N -0.03 4.15 0.02 1.61 3.00 -0.43 -4.98 118.95 122.29 1khi s ARG 162 Ca 0.00 0.95 0.01 0.00 0.00 0.00 0.00 55.73 56.69 1khi s ARG 162 Cb 0.00 -2.29 -0.02 0.00 0.00 0.00 0.00 34.95 32.64 1khi s ARG 162 CO 0.00 0.05 -0.04 -1.21 0.00 0.00 0.00 175.30 174.09 1khi s GLU 163 N -3.08 0.35 -0.28 3.54 2.02 -1.26 -0.73 118.70 119.27 1khi s GLU 163 Ca 0.59 -0.53 -0.23 0.00 0.02 0.00 0.00 54.97 54.82 1khi s GLU 163 Cb -0.10 -0.09 0.09 0.00 0.10 0.00 0.00 34.13 34.13 1khi s GLU 163 CO 0.15 0.01 0.79 1.41 0.02 0.00 0.00 175.26 177.63 1khi s MET 164 N -1.15 0.73 -0.08 1.61 1.75 -0.84 -4.37 119.30 116.95 1khi s MET 164 Ca -0.10 0.94 -0.30 0.00 -1.25 0.00 0.00 55.69 54.99 1khi s MET 164 Cb -0.08 0.32 -0.02 0.00 2.84 0.00 0.00 34.83 37.89 1khi s MET 164 CO -0.00 -0.10 1.11 0.00 -0.65 0.00 0.00 175.02 175.38 1khi s ALA 165 N 0.61 3.47 -0.44 4.11 0.00 -0.33 -1.52 121.76 127.66 1khi s ALA 165 Ca -0.02 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.52 1khi s ALA 165 Cb -0.05 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 1khi s ALA 165 CO -0.05 -0.71 0.37 1.33 0.00 0.00 0.00 175.76 176.70 1khi n VAL 166 N 4.62 0.00 -3.83 0.00 0.24 0.18 -1.37 118.33 118.18 1khi n VAL 166 Ca 0.10 -0.35 -0.08 0.00 -2.04 0.00 0.00 64.34 61.97 1khi n VAL 166 Cb 0.47 1.02 0.01 0.00 -1.47 0.00 0.00 33.84 33.87 1khi n VAL 166 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1khi s ASP 167 N -1.56 -0.08 0.29 -1.34 -1.08 -1.19 -4.95 116.67 106.75 1khi s ASP 167 Ca 0.04 -0.95 0.02 0.00 -0.52 0.00 0.00 52.55 51.14 1khi s ASP 167 Cb 0.06 0.79 -0.05 0.00 -1.46 0.00 0.00 42.92 42.26 1khi s ASP 167 CO 0.28 -1.54 0.11 0.00 0.52 0.00 0.00 175.17 174.53 1khi s MET 168 N -2.83 1.53 -0.30 4.34 0.23 -1.26 -0.83 119.30 120.18 1khi s MET 168 Ca 0.14 -1.85 -0.12 0.00 -1.03 0.00 0.00 55.69 52.83 1khi s MET 168 Cb -0.05 -0.33 0.17 0.00 -1.53 0.00 0.00 34.83 33.09 1khi s MET 168 CO 0.10 -0.33 0.95 0.21 -2.03 0.00 0.00 175.02 173.91 1khi s LYS 169 N -3.94 0.30 -0.08 3.16 2.20 0.58 -4.81 119.74 117.15 1khi s LYS 169 Ca 0.36 0.65 -0.27 0.00 -0.36 0.00 0.00 55.97 56.35 1khi s LYS 169 Cb 0.07 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1khi s LYS 169 CO 0.15 -0.21 0.87 0.14 -0.36 0.00 0.00 175.35 175.93 1khi s VAL 170 N 2.70 4.91 -0.22 4.02 -7.23 -1.26 -1.06 120.40 122.26 1khi s VAL 170 Ca 0.01 1.77 -0.34 0.00 -1.81 0.00 0.00 61.98 61.61 1khi s VAL 170 Cb -0.09 -4.19 -0.11 0.00 0.56 0.00 0.00 36.38 32.55 1khi s VAL 170 CO -0.16 0.12 2.04 0.52 -0.31 0.00 0.00 175.10 177.31 1khi n VAL 171 N 4.22 0.38 -0.52 1.32 0.31 0.13 -4.90 118.33 119.27 1khi n VAL 171 Ca 0.04 -0.22 -0.20 0.00 -0.01 0.00 0.00 64.34 63.96 1khi n VAL 171 Cb 0.50 -1.86 0.02 0.00 -0.91 0.00 0.00 33.84 31.59 1khi n VAL 171 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1khi n HIS 172 N 8.54 -0.98 0.56 3.52 1.44 -1.26 -5.05 115.22 121.99 1khi n HIS 172 Ca 0.31 0.29 0.07 0.00 -2.01 0.00 0.00 57.72 56.38 1khi n HIS 172 Cb 0.28 -0.72 0.06 0.00 0.12 0.00 0.00 29.99 29.73 1khi n HIS 172 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94