#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7t n VAL 8 N 0.00 0.01 -1.66 2.46 0.24 -1.26 -4.87 118.33 113.24 1u7t n VAL 8 Ca 0.00 -0.41 -0.48 0.00 -2.04 0.00 0.00 64.34 61.41 1u7t n VAL 8 Cb 0.00 1.11 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 1u7t n VAL 8 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1u7t n LYS 9 N 0.90 1.94 0.00 7.34 4.76 -1.25 -1.47 118.16 130.37 1u7t n LYS 9 Ca 0.16 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 1u7t n LYS 9 Cb 0.51 -2.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.23 1u7t n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u7t n GLY 10 N 3.51 2.58 3.77 0.72 0.00 -0.45 -4.88 105.19 110.44 1u7t n GLY 10 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1u7t n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u7t s LEU 11 N 0.00 3.58 -0.22 0.99 1.43 -0.54 -4.74 118.68 119.18 1u7t s LEU 11 Ca 0.00 2.09 -0.04 0.00 -1.03 0.00 0.00 54.13 55.14 1u7t s LEU 11 Cb 0.00 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 1u7t s LEU 11 CO 0.00 -1.40 -0.02 -0.69 0.23 0.00 0.00 176.35 174.47 1u7t s VAL 12 N -2.04 3.57 -0.11 -1.59 1.01 -1.26 -0.27 120.40 119.71 1u7t s VAL 12 Ca 0.70 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1u7t s VAL 12 Cb -0.22 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1u7t s VAL 12 CO 0.34 0.41 -0.16 0.00 0.00 0.00 0.00 175.10 175.69 1u7t s ALA 13 N 1.43 2.53 -0.28 5.51 0.00 -0.18 -0.90 121.76 129.87 1u7t s ALA 13 Ca 0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1u7t s ALA 13 Cb -0.14 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1u7t s ALA 13 CO -0.01 0.31 0.20 0.08 0.00 0.00 0.00 175.76 176.33 1u7t s VAL 14 N 0.16 5.31 -0.24 0.00 1.01 -0.06 -0.26 120.40 126.31 1u7t s VAL 14 Ca -0.08 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1u7t s VAL 14 Cb -0.15 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1u7t s VAL 14 CO 0.05 0.23 -0.11 -0.63 0.00 0.00 0.00 175.10 174.65 1u7t s ILE 15 N 1.77 1.98 0.44 2.22 1.01 0.27 -1.41 121.20 127.47 1u7t s ILE 15 Ca 0.07 -1.43 -0.21 0.00 0.00 0.00 0.00 60.65 59.08 1u7t s ILE 15 Cb -0.16 -2.09 -0.11 0.00 0.01 0.00 0.00 42.46 40.11 1u7t s ILE 15 CO 0.11 0.03 0.95 0.42 0.00 0.00 0.00 174.94 176.45 1u7t s THR 16 N 1.20 4.40 -1.59 2.92 -4.23 -0.45 -0.39 115.64 117.49 1u7t s THR 16 Ca -0.06 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 1u7t s THR 16 Cb -0.19 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1u7t s THR 16 CO -0.06 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1u7t n GLY 17 N -0.71 0.93 0.01 3.99 0.00 0.10 -2.17 105.19 107.33 1u7t n GLY 17 Ca 0.07 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1u7t n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u7t n GLY 18 N -1.00 -0.98 0.12 -0.02 0.00 -1.15 -2.42 105.19 99.74 1u7t n GLY 18 Ca -0.17 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1u7t n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u7t h ALA 19 N 2.45 1.00 -2.83 4.61 0.00 -1.88 -3.21 119.26 119.39 1u7t h ALA 19 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1u7t h ALA 19 Cb 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 1u7t h ALA 19 CO 0.00 0.00 -0.14 0.45 0.00 0.00 0.00 179.25 179.56 1u7t s SER 20 N -4.61 0.01 0.04 0.00 0.15 -1.02 -4.76 113.70 103.53 1u7t s SER 20 Ca 0.09 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.73 1u7t s SER 20 Cb 0.11 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1u7t s SER 20 CO 0.55 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1u7t n GLY 21 N -0.40 2.17 0.21 9.45 0.00 -1.26 -0.72 105.19 114.63 1u7t n GLY 21 Ca -0.01 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 1u7t n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u7t h LEU 22 N 0.00 0.70 -0.37 0.99 3.38 -1.91 -1.41 115.31 116.69 1u7t h LEU 22 Ca 0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1u7t h LEU 22 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1u7t h LEU 22 CO 0.00 0.93 0.20 1.23 0.09 0.00 0.00 178.44 180.89 1u7t h GLY 23 N 0.46 0.55 0.80 0.83 0.00 -1.58 -0.95 103.07 103.18 1u7t h GLY 23 Ca 0.08 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1u7t h GLY 23 CO 0.04 0.24 0.21 -2.00 0.00 0.00 0.00 176.54 175.03 1u7t h LEU 24 N 0.47 0.31 -1.32 3.11 5.85 -0.86 -0.23 115.31 122.63 1u7t h LEU 24 Ca 0.13 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1u7t h LEU 24 Cb 0.06 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1u7t h LEU 24 CO -0.02 0.22 0.49 0.00 -0.34 0.00 0.00 178.44 178.79 1u7t h ALA 25 N 1.22 1.61 -0.17 1.25 0.00 -0.90 -0.55 119.26 121.72 1u7t h ALA 25 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1u7t h ALA 25 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1u7t h ALA 25 CO -0.12 0.30 -0.03 1.15 0.00 0.00 0.00 179.25 180.54 1u7t h THR 26 N 0.86 1.28 -0.11 0.00 2.02 -0.22 -2.33 112.91 114.41 1u7t h THR 26 Ca 0.31 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.55 1u7t h THR 26 Cb 0.14 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1u7t h THR 26 CO -0.10 0.29 -0.17 0.00 0.37 0.00 0.00 175.52 175.91 1u7t h ALA 27 N 0.73 -0.12 -0.39 6.16 0.00 -0.48 0.47 119.26 125.62 1u7t h ALA 27 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1u7t h ALA 27 Cb 0.46 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1u7t h ALA 27 CO 0.02 -0.63 -0.10 0.93 0.00 0.00 0.00 179.25 179.46 1u7t h GLU 28 N -0.23 -0.00 -0.33 0.00 5.08 -1.07 0.15 114.58 118.18 1u7t h GLU 28 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1u7t h GLU 28 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1u7t h GLU 28 CO -0.24 -0.00 -0.07 -0.09 -1.00 0.00 0.00 179.01 177.61 1u7t h ARG 29 N -0.00 0.64 -0.36 2.33 2.43 -1.11 0.14 114.38 118.45 1u7t h ARG 29 Ca 0.19 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1u7t h ARG 29 Cb 0.29 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1u7t h ARG 29 CO -0.41 0.80 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.69 1u7t h LEU 30 N 0.42 0.70 -0.59 3.80 3.38 -0.47 -0.98 115.31 121.58 1u7t h LEU 30 Ca 0.09 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1u7t h LEU 30 Cb 0.56 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1u7t h LEU 30 CO 0.03 0.91 0.37 0.58 0.09 0.00 0.00 178.44 180.42 1u7t h VAL 31 N 0.49 1.17 -0.10 1.22 2.07 -0.70 -0.55 116.25 119.85 1u7t h VAL 31 Ca 0.09 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1u7t h VAL 31 Cb 0.61 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1u7t h VAL 31 CO 0.04 0.17 0.13 1.23 0.02 0.00 0.00 177.57 179.16 1u7t h GLY 32 N 0.80 0.00 -2.00 2.17 0.00 -0.41 -0.93 103.07 102.70 1u7t h GLY 32 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1u7t h GLY 32 CO -0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.44 1u7t n GLN 33 N -3.65 2.30 -0.01 4.80 1.13 -0.35 -4.93 117.38 116.67 1u7t n GLN 33 Ca -0.00 -2.00 0.00 0.00 -1.94 0.00 0.00 57.00 53.05 1u7t n GLN 33 Cb 0.23 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1u7t n GLN 33 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u7t n GLY 34 N 1.41 0.49 3.92 1.08 0.00 -0.35 -3.86 105.19 107.87 1u7t n GLY 34 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1u7t n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u7t s ALA 35 N -2.02 2.97 0.03 4.61 0.00 -0.42 -1.34 121.76 125.58 1u7t s ALA 35 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1u7t s ALA 35 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1u7t s ALA 35 CO 0.00 -1.45 0.05 -1.12 0.00 0.00 0.00 175.76 173.24 1u7t s SER 36 N -4.54 5.42 0.00 0.00 0.01 0.63 -4.29 113.70 110.93 1u7t s SER 36 Ca 0.61 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.92 1u7t s SER 36 Cb -0.11 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.65 1u7t s SER 36 CO 0.46 0.24 -0.05 0.00 0.41 0.00 0.00 173.24 174.31 1u7t s ALA 37 N -1.22 0.37 -0.25 1.44 0.00 0.90 -1.01 121.76 121.98 1u7t s ALA 37 Ca 0.24 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1u7t s ALA 37 Cb -0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1u7t s ALA 37 CO 0.15 0.06 0.03 0.08 0.00 0.00 0.00 175.76 176.09 1u7t s VAL 38 N -0.29 3.89 -0.53 0.00 1.01 0.64 -1.70 120.40 123.41 1u7t s VAL 38 Ca -0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 1u7t s VAL 38 Cb -0.03 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.53 1u7t s VAL 38 CO -0.00 0.29 0.94 -0.76 0.00 0.00 0.00 175.10 175.58 1u7t s LEU 39 N 1.54 4.07 -0.36 3.92 1.43 0.08 -0.57 118.68 128.78 1u7t s LEU 39 Ca 0.05 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1u7t s LEU 39 Cb -0.15 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1u7t s LEU 39 CO 0.01 -1.20 0.34 -0.22 0.23 0.00 0.00 176.35 175.51 1u7t s LEU 40 N 3.93 4.57 0.37 1.79 0.20 0.47 -0.89 118.68 129.12 1u7t s LEU 40 Ca 0.32 -0.39 -0.16 0.00 0.69 0.00 0.00 54.13 54.59 1u7t s LEU 40 Cb -0.12 -2.29 0.05 0.00 -0.43 0.00 0.00 46.19 43.40 1u7t s LEU 40 CO 0.21 -0.36 0.77 -0.62 -0.29 0.00 0.00 176.35 176.06 1u7t s ASP 41 N 1.74 -0.03 0.55 3.68 -1.08 -1.12 -0.72 116.67 119.68 1u7t s ASP 41 Ca 0.10 -1.05 -0.18 0.00 -0.52 0.00 0.00 52.55 50.89 1u7t s ASP 41 Cb -0.17 0.83 -0.06 0.00 -1.46 0.00 0.00 42.92 42.06 1u7t s ASP 41 CO 0.12 -1.62 1.07 -0.76 0.52 0.00 0.00 175.17 174.50 1u7t s LEU 42 N -3.04 3.68 0.40 -1.34 1.43 -1.24 -0.18 118.68 118.38 1u7t s LEU 42 Ca 0.15 1.96 0.07 0.00 -1.03 0.00 0.00 54.13 55.29 1u7t s LEU 42 Cb -0.05 -4.56 0.83 0.00 0.03 0.00 0.00 46.19 42.44 1u7t s LEU 42 CO 0.11 -1.08 2.02 -0.65 0.23 0.00 0.00 176.35 176.97 1u7t h PRO 43 N 1.00 0.48 -0.00 1.29 0.11 -1.92 -2.68 132.00 130.27 1u7t h PRO 43 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1u7t h PRO 43 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1u7t h PRO 43 CO 0.58 0.38 -0.05 0.27 -0.21 0.00 0.00 178.00 178.96 1u7t n ASN 44 N -4.43 0.51 -3.54 -2.05 6.94 -1.26 -4.83 115.26 106.59 1u7t n ASN 44 Ca 0.02 -0.85 -0.25 0.00 -0.02 0.00 0.00 54.58 53.48 1u7t n ASN 44 Cb 0.11 -0.05 0.19 0.00 -2.36 0.00 0.00 39.78 37.67 1u7t n ASN 44 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1u7t n SER 45 N -0.77 -0.56 -1.95 0.53 3.41 -1.01 -4.95 113.62 108.31 1u7t n SER 45 Ca 0.18 -1.30 -0.20 0.00 -0.26 0.00 0.00 58.87 57.29 1u7t n SER 45 Cb 0.24 -0.86 0.10 0.00 -0.26 0.00 0.00 64.21 63.43 1u7t n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u7t n GLY 46 N -2.80 4.20 0.33 5.00 0.00 -1.26 -4.61 105.19 106.05 1u7t n GLY 46 Ca 0.14 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.00 1u7t n GLY 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u7t h GLY 47 N 2.07 1.25 0.91 -0.02 0.00 -1.85 -2.47 103.07 102.96 1u7t h GLY 47 Ca 0.44 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1u7t h GLY 47 CO 0.91 0.60 0.11 -2.09 0.00 0.00 0.00 176.54 176.07 1u7t h GLU 48 N 1.14 0.23 -0.89 4.80 4.57 -1.94 0.03 114.58 122.53 1u7t h GLU 48 Ca 0.28 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1u7t h GLU 48 Cb 0.13 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 1u7t h GLU 48 CO -0.03 0.15 0.58 0.00 -1.18 0.00 0.00 179.01 178.53 1u7t h ALA 49 N 1.11 1.14 -0.34 2.92 0.00 -1.90 0.16 119.26 122.35 1u7t h ALA 49 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1u7t h ALA 49 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1u7t h ALA 49 CO -0.06 0.49 -0.27 1.96 0.00 0.00 0.00 179.25 181.37 1u7t h GLN 50 N 1.17 0.70 -0.44 0.00 1.08 -0.89 0.80 115.11 117.53 1u7t h GLN 50 Ca 0.34 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1u7t h GLN 50 Cb -0.08 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1u7t h GLN 50 CO -0.09 0.90 0.03 0.00 -0.95 0.00 0.00 178.83 178.72 1u7t h ALA 51 N 1.09 0.59 -0.34 3.87 0.00 -0.50 -1.03 119.26 122.93 1u7t h ALA 51 Ca 0.08 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1u7t h ALA 51 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1u7t h ALA 51 CO 0.06 0.36 0.19 -0.22 0.00 0.00 0.00 179.25 179.64 1u7t h LYS 52 N 0.61 0.38 -0.24 0.00 3.64 -0.44 -2.07 116.57 118.46 1u7t h LYS 52 Ca 0.13 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1u7t h LYS 52 Cb 0.45 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1u7t h LYS 52 CO 0.02 0.25 0.16 0.87 -2.27 0.00 0.00 179.45 178.48 1u7t h LYS 53 N 0.39 0.25 -0.00 1.90 1.57 -0.56 -2.81 116.57 117.31 1u7t h LYS 53 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1u7t h LYS 53 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1u7t h LYS 53 CO -0.07 0.16 -0.23 1.28 -0.57 0.00 0.00 179.45 180.02 1u7t n LEU 54 N -4.50 0.33 0.00 2.94 4.77 -0.42 -5.02 117.00 115.11 1u7t n LEU 54 Ca 0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1u7t n LEU 54 Cb 0.12 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1u7t n LEU 54 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1u7t n GLY 55 N 1.45 -1.85 0.30 -0.72 0.00 -1.06 -4.62 105.19 98.69 1u7t n GLY 55 Ca 0.08 -2.17 0.16 0.00 0.00 0.00 0.00 46.02 44.10 1u7t n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u7t h ASN 56 N 0.00 0.00 -0.25 1.61 -0.26 -1.88 -1.74 115.58 113.06 1u7t h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1u7t h ASN 56 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1u7t h ASN 56 CO 0.00 0.04 0.00 0.59 -1.06 0.00 0.00 177.43 177.00 1u7t n ASN 57 N -3.53 1.55 -3.81 5.81 5.03 -1.26 -4.79 115.26 114.26 1u7t n ASN 57 Ca -0.02 -2.04 -0.18 0.00 0.87 0.00 0.00 54.58 53.20 1u7t n ASN 57 Cb 0.15 -0.23 -0.16 0.00 -1.02 0.00 0.00 39.78 38.52 1u7t n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u7t s VAL 59 N 1.16 1.49 -0.18 0.00 -7.23 -0.69 -4.61 120.40 110.35 1u7t s VAL 59 Ca -0.08 -2.14 -0.08 0.00 -1.81 0.00 0.00 61.98 57.87 1u7t s VAL 59 Cb -0.13 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1u7t s VAL 59 CO -0.02 -0.61 0.09 0.12 -0.31 0.00 0.00 175.10 174.38 1u7t s PHE 60 N -3.13 3.34 -0.29 2.82 5.36 -1.26 -0.74 117.98 124.08 1u7t s PHE 60 Ca 0.21 0.22 0.03 0.00 -0.96 0.00 0.00 56.93 56.43 1u7t s PHE 60 Cb 0.01 -2.10 0.08 0.00 -0.34 0.00 0.00 43.02 40.67 1u7t s PHE 60 CO 0.05 0.26 -0.02 0.00 -1.46 0.00 0.00 175.22 174.05 1u7t s ALA 61 N 0.25 2.50 0.17 11.12 0.00 -0.06 -4.93 121.76 130.81 1u7t s ALA 61 Ca 0.06 -1.99 -0.32 0.00 0.00 0.00 0.00 51.96 49.72 1u7t s ALA 61 Cb -0.12 -1.71 -0.10 0.00 0.00 0.00 0.00 23.12 21.19 1u7t s ALA 61 CO -0.01 -1.43 1.56 -1.25 0.00 0.00 0.00 175.76 174.64 1u7t s PRO 62 N 1.12 4.22 -0.23 0.00 0.04 -1.26 -2.80 135.00 136.09 1u7t s PRO 62 Ca 0.01 2.36 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 1u7t s PRO 62 Cb -0.19 -3.15 0.13 0.00 0.04 0.00 0.00 34.50 31.32 1u7t s PRO 62 CO -0.08 -0.60 1.03 0.00 0.04 0.00 0.00 177.00 177.39 1u7t s ALA 63 N 1.10 -1.97 -0.25 8.56 0.00 0.74 -4.69 121.76 125.26 1u7t s ALA 63 Ca 0.70 1.73 -0.14 0.00 0.00 0.00 0.00 51.96 54.25 1u7t s ALA 63 Cb -0.44 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1u7t s ALA 63 CO 0.32 -0.26 0.33 0.34 0.00 0.00 0.00 175.76 176.49 1u7t s ASP 64 N -0.41 6.26 0.20 0.00 3.68 -1.26 -3.64 116.67 121.51 1u7t s ASP 64 Ca 0.01 0.30 0.22 0.00 2.13 0.00 0.00 52.55 55.21 1u7t s ASP 64 Cb -0.03 -2.19 0.90 0.00 -1.45 0.00 0.00 42.92 40.15 1u7t s ASP 64 CO -0.03 -0.11 1.66 1.33 0.13 0.00 0.00 175.17 178.15 1u7t n VAL 65 N 4.78 0.87 1.80 1.11 0.24 -1.26 -1.41 118.33 124.46 1u7t n VAL 65 Ca -0.10 0.24 0.15 0.00 -2.04 0.00 0.00 64.34 62.59 1u7t n VAL 65 Cb 0.51 -1.13 0.83 0.00 -1.47 0.00 0.00 33.84 32.58 1u7t n VAL 65 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1u7t n THR 66 N -2.08 0.00 -4.09 3.34 -2.24 -1.26 -4.43 114.28 103.52 1u7t n THR 66 Ca 0.02 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 1u7t n THR 66 Cb 0.22 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 67.98 1u7t n THR 66 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1u7t s SER 67 N -2.12 3.77 0.10 3.42 0.15 -0.50 -4.98 113.70 113.55 1u7t s SER 67 Ca 0.42 -0.50 -0.22 0.00 0.70 0.00 0.00 55.95 56.36 1u7t s SER 67 Cb 0.21 -1.62 -0.11 0.00 -1.71 0.00 0.00 66.02 62.80 1u7t s SER 67 CO 0.39 0.01 1.73 -0.08 1.20 0.00 0.00 173.24 176.48 1u7t h GLU 68 N 7.90 -0.01 -0.39 5.44 4.81 -1.86 -1.64 114.58 128.84 1u7t h GLU 68 Ca -0.42 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1u7t h GLU 68 Cb 1.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1u7t h GLU 68 CO 0.61 -0.01 0.15 0.87 -0.73 0.00 0.00 179.01 179.90 1u7t h LYS 69 N -0.01 0.31 -0.45 1.92 1.57 -1.94 0.14 116.57 118.10 1u7t h LYS 69 Ca 0.03 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1u7t h LYS 69 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1u7t h LYS 69 CO -0.08 0.20 0.26 -0.44 -0.57 0.00 0.00 179.45 178.82 1u7t h ASP 70 N 0.31 0.40 -0.23 0.86 5.19 -1.77 0.25 116.42 121.44 1u7t h ASP 70 Ca 0.18 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.45 1u7t h ASP 70 Cb 0.15 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1u7t h ASP 70 CO -0.17 0.29 -0.38 0.58 -3.12 0.00 0.00 179.24 176.43 1u7t h VAL 71 N 0.51 1.28 -0.53 -1.35 2.07 -0.81 0.12 116.25 117.55 1u7t h VAL 71 Ca 0.18 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.19 1u7t h VAL 71 Cb 0.04 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1u7t h VAL 71 CO -0.10 0.51 0.29 1.56 0.02 0.00 0.00 177.57 179.85 1u7t h GLN 72 N 0.64 0.55 -0.28 1.57 4.20 -0.40 0.73 115.11 122.11 1u7t h GLN 72 Ca 0.06 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.77 1u7t h GLN 72 Cb 0.93 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1u7t h GLN 72 CO 0.09 0.37 0.05 1.15 -0.67 0.00 0.00 178.83 179.81 1u7t h THR 73 N 0.57 0.86 -0.68 -0.54 2.02 0.24 -0.14 112.91 115.24 1u7t h THR 73 Ca 0.23 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1u7t h THR 73 Cb 0.09 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1u7t h THR 73 CO -0.13 0.03 0.29 0.00 0.37 0.00 0.00 175.52 176.07 1u7t h ALA 74 N 1.21 1.23 -0.09 6.16 0.00 -0.39 -1.53 119.26 125.85 1u7t h ALA 74 Ca 0.13 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1u7t h ALA 74 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1u7t h ALA 74 CO -0.17 0.57 -0.70 -0.07 0.00 0.00 0.00 179.25 178.88 1u7t h LEU 75 N 0.97 0.49 -0.99 0.00 3.38 -0.26 -1.43 115.31 117.48 1u7t h LEU 75 Ca 0.23 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1u7t h LEU 75 Cb 0.16 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1u7t h LEU 75 CO -0.02 1.04 0.50 0.00 0.09 0.00 0.00 178.44 180.05 1u7t h ALA 76 N 0.95 1.23 -0.66 1.53 0.00 -0.83 -0.90 119.26 120.58 1u7t h ALA 76 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1u7t h ALA 76 Cb 1.27 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1u7t h ALA 76 CO 0.12 0.64 0.29 1.25 0.00 0.00 0.00 179.25 181.54 1u7t h LEU 77 N 1.22 0.88 -0.42 0.00 6.46 -0.96 -1.34 115.31 121.15 1u7t h LEU 77 Ca 0.31 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.86 1u7t h LEU 77 Cb -0.01 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.68 1u7t h LEU 77 CO -0.05 0.79 0.04 0.00 -0.62 0.00 0.00 178.44 178.60 1u7t h ALA 78 N 1.13 0.56 0.25 1.25 0.00 -0.73 0.87 119.26 122.59 1u7t h ALA 78 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1u7t h ALA 78 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u7t h ALA 78 CO -0.02 0.31 -0.12 1.57 0.00 0.00 0.00 179.25 180.99 1u7t h LYS 79 N 0.56 -0.32 -0.88 0.00 2.10 -1.01 0.39 116.57 117.40 1u7t h LYS 79 Ca 0.12 0.02 0.19 0.00 -2.00 0.00 0.00 60.65 58.99 1u7t h LYS 79 Cb 0.43 0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 31.77 1u7t h LYS 79 CO 0.01 -0.16 0.58 0.78 -2.00 0.00 0.00 179.45 178.66 1u7t h GLY 80 N -0.41 0.88 0.63 0.07 0.00 -1.18 1.46 103.07 104.53 1u7t h GLY 80 Ca -0.03 -0.19 -0.32 0.00 0.00 0.00 0.00 47.33 46.78 1u7t h GLY 80 CO 0.06 0.01 -1.66 1.70 0.00 0.00 0.00 176.54 176.65 1u7t h LYS 81 N 0.43 0.28 -0.00 4.80 1.63 -0.24 -3.41 116.57 120.05 1u7t h LYS 81 Ca 0.46 -0.47 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1u7t h LYS 81 Cb 1.10 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1u7t h LYS 81 CO -0.17 1.23 -0.00 1.19 -3.45 0.00 0.00 179.45 178.24 1u7t n PHE 82 N -3.75 0.00 0.00 1.91 3.72 0.13 -5.03 117.46 114.45 1u7t n PHE 82 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1u7t n PHE 82 Cb 0.97 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 1u7t n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u7t n GLY 83 N 0.06 2.96 3.79 1.37 0.00 0.50 -4.93 105.19 108.94 1u7t n GLY 83 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1u7t n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u7t s ARG 84 N -0.20 1.44 -0.10 1.61 1.70 -1.26 -4.89 118.95 117.25 1u7t s ARG 84 Ca 0.00 -0.79 0.01 0.00 -0.47 0.00 0.00 55.73 54.48 1u7t s ARG 84 Cb 0.00 0.50 0.02 0.00 -0.57 0.00 0.00 34.95 34.89 1u7t s ARG 84 CO 0.00 -0.66 -0.12 0.08 -1.08 0.00 0.00 175.30 173.51 1u7t s VAL 85 N -3.56 1.28 -0.14 4.99 1.01 -1.26 -4.77 120.40 117.95 1u7t s VAL 85 Ca 0.11 -0.51 0.16 0.00 0.00 0.00 0.00 61.98 61.74 1u7t s VAL 85 Cb -0.03 -1.20 -0.22 0.00 0.00 0.00 0.00 36.38 34.93 1u7t s VAL 85 CO 0.04 0.40 0.13 0.47 0.00 0.00 0.00 175.10 176.13 1u7t n ASP 86 N 4.28 0.85 -3.86 3.32 9.92 -0.07 -4.63 116.55 126.36 1u7t n ASP 86 Ca -0.19 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.95 1u7t n ASP 86 Cb 0.51 1.10 -0.14 0.00 -0.64 0.00 0.00 41.12 41.95 1u7t n ASP 86 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1u7t s VAL 87 N -2.58 -0.00 -0.03 2.53 1.01 -0.75 -1.69 120.40 118.90 1u7t s VAL 87 Ca -0.08 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1u7t s VAL 87 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 36.38 36.39 1u7t s VAL 87 CO 0.70 0.01 -0.13 0.00 0.00 0.00 0.00 175.10 175.68 1u7t s ALA 88 N 0.08 1.13 -0.12 5.51 0.00 -0.56 -0.88 121.76 126.93 1u7t s ALA 88 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1u7t s ALA 88 Cb -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1u7t s ALA 88 CO -0.00 0.22 -0.04 0.08 0.00 0.00 0.00 175.76 176.02 1u7t s VAL 89 N -0.01 0.82 -0.60 0.00 1.01 -0.50 -0.74 120.40 120.38 1u7t s VAL 89 Ca -0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1u7t s VAL 89 Cb -0.08 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.42 1u7t s VAL 89 CO 0.01 0.26 0.87 0.20 0.00 0.00 0.00 175.10 176.43 1u7t s ASN 90 N 1.78 6.22 -0.01 3.32 -0.87 -0.16 -1.35 114.94 123.88 1u7t s ASN 90 Ca 0.04 -0.87 0.05 0.00 -1.57 0.00 0.00 52.86 50.51 1u7t s ASN 90 Cb -0.13 -2.39 -0.07 0.00 -0.02 0.00 0.00 41.25 38.64 1u7t s ASN 90 CO -0.07 -1.26 0.12 0.00 -2.57 0.00 0.00 177.10 173.31 1u7t n ALA 92 N -1.59 -0.36 -3.55 0.00 0.00 -1.09 -4.68 120.51 109.23 1u7t n ALA 92 Ca -0.01 0.45 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 1u7t n ALA 92 Cb 0.12 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 1u7t n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u7t s GLY 93 N 1.87 -0.41 0.23 0.00 0.00 -1.26 -4.73 107.32 103.01 1u7t s GLY 93 Ca 0.89 0.99 0.03 0.00 0.00 0.00 0.00 44.72 46.64 1u7t s GLY 93 CO 0.53 0.32 0.01 -0.26 0.00 0.00 0.00 173.10 173.70 1u7t s ILE 94 N -3.00 0.91 0.07 0.90 -4.36 -1.26 -5.04 121.20 109.42 1u7t s ILE 94 Ca 0.07 -2.02 0.06 0.00 -0.26 0.00 0.00 60.65 58.50 1u7t s ILE 94 Cb -0.01 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.33 1u7t s ILE 94 CO -0.07 -0.31 -0.15 0.00 0.24 0.00 0.00 174.94 174.65 1u7t s ALA 95 N -3.50 1.27 0.03 2.27 0.00 -1.26 -4.94 121.76 115.62 1u7t s ALA 95 Ca 0.29 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1u7t s ALA 95 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1u7t s ALA 95 CO 0.09 0.20 0.02 0.14 0.00 0.00 0.00 175.76 176.20 1u7t s VAL 96 N -1.19 0.13 -0.21 0.00 -7.23 -1.26 -5.11 120.40 105.54 1u7t s VAL 96 Ca -0.00 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1u7t s VAL 96 Cb -0.10 -0.65 0.04 0.00 0.56 0.00 0.00 36.38 36.23 1u7t s VAL 96 CO 0.02 -0.60 -0.13 0.00 -0.31 0.00 0.00 175.10 174.08 1u7t s ALA 97 N -2.17 2.24 -0.30 1.32 0.00 -1.26 -4.71 121.76 116.88 1u7t s ALA 97 Ca -0.09 -1.35 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 1u7t s ALA 97 Cb -0.04 -1.32 0.14 0.00 0.00 0.00 0.00 23.12 21.89 1u7t s ALA 97 CO -0.03 -0.77 0.80 0.45 0.00 0.00 0.00 175.76 176.21 1u7t s SER 98 N 1.29 -0.87 0.52 0.00 0.15 0.16 -5.03 113.70 109.92 1u7t s SER 98 Ca -0.01 1.23 -0.21 0.00 0.70 0.00 0.00 55.95 57.66 1u7t s SER 98 Cb -0.16 1.85 -0.06 0.00 -1.71 0.00 0.00 66.02 65.94 1u7t s SER 98 CO -0.09 -0.18 1.16 -0.54 1.20 0.00 0.00 173.24 174.80 1u7t s LYS 99 N 2.41 3.46 0.16 5.44 1.02 -1.26 -4.41 119.74 126.55 1u7t s LYS 99 Ca -0.06 1.73 -0.16 0.00 0.02 0.00 0.00 55.97 57.50 1u7t s LYS 99 Cb -0.08 -2.17 0.07 0.00 -0.52 0.00 0.00 37.83 35.13 1u7t s LYS 99 CO -0.18 -0.79 1.73 1.15 -0.92 0.00 0.00 175.35 176.34 1u7t h THR 100 N 1.44 0.82 -3.04 2.17 2.02 -1.93 -3.22 112.91 111.16 1u7t h THR 100 Ca -0.50 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 66.47 1u7t h THR 100 Cb 1.26 0.61 -0.24 0.00 -1.74 0.00 0.00 68.15 68.05 1u7t h THR 100 CO 0.58 0.04 -0.35 -0.47 0.37 0.00 0.00 175.52 175.69 1u7t s TYR 101 N -6.17 -0.27 -0.27 3.16 6.14 -1.26 -2.01 117.35 116.68 1u7t s TYR 101 Ca -0.13 0.62 0.03 0.00 0.64 0.00 0.00 57.07 58.22 1u7t s TYR 101 Cb 0.13 0.10 0.06 0.00 0.42 0.00 0.00 41.96 42.67 1u7t s TYR 101 CO 0.71 -0.23 -0.09 1.21 0.64 0.00 0.00 175.55 177.79 1u7t s ASN 102 N -0.31 4.50 0.02 4.32 3.84 0.23 -4.99 114.94 122.55 1u7t s ASN 102 Ca -0.04 -1.44 -0.22 0.00 0.21 0.00 0.00 52.86 51.36 1u7t s ASN 102 Cb -0.03 -1.57 -0.17 0.00 -0.55 0.00 0.00 41.25 38.93 1u7t s ASN 102 CO 0.01 -0.21 1.28 0.25 -2.79 0.00 0.00 177.10 175.65 1u7t h LEU 103 N 7.78 0.30 -1.43 3.21 5.85 -1.95 0.67 115.31 129.74 1u7t h LEU 103 Ca -0.18 -0.53 0.09 0.00 0.84 0.00 0.00 57.88 58.09 1u7t h LEU 103 Cb 1.04 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1u7t h LEU 103 CO 0.47 0.78 0.47 0.11 -0.34 0.00 0.00 178.44 179.93 1u7t h LYS 104 N -0.16 0.64 0.00 1.25 6.56 -1.97 -1.46 116.57 121.43 1u7t h LYS 104 Ca 0.01 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1u7t h LYS 104 Cb 0.71 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1u7t h LYS 104 CO 0.03 0.42 -1.08 1.63 -2.06 0.00 0.00 179.45 178.40 1u7t n LYS 105 N -4.49 0.50 -1.98 3.15 5.02 -1.20 -4.97 118.16 114.20 1u7t n LYS 105 Ca 0.11 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.35 1u7t n LYS 105 Cb 0.30 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1u7t n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u7t n GLY 106 N 1.25 0.26 3.47 0.72 0.00 0.21 -5.00 105.19 106.09 1u7t n GLY 106 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1u7t n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u7t s GLN 107 N -4.13 2.42 -0.09 1.61 -2.07 0.27 -4.94 119.66 112.73 1u7t s GLN 107 Ca 0.00 -0.75 0.02 0.00 -1.82 0.00 0.00 55.36 52.81 1u7t s GLN 107 Cb 0.00 -2.33 -0.02 0.00 -1.09 0.00 0.00 33.01 29.57 1u7t s GLN 107 CO 0.00 0.61 -0.15 0.99 -1.32 0.00 0.00 175.29 175.42 1u7t s THR 108 N -0.76 2.95 0.18 3.63 2.01 -1.26 0.75 115.64 123.14 1u7t s THR 108 Ca 0.12 -0.73 -0.33 0.00 0.31 0.00 0.00 61.69 61.06 1u7t s THR 108 Cb -0.11 -2.19 -0.14 0.00 0.01 0.00 0.00 72.50 70.07 1u7t s THR 108 CO 0.01 0.56 1.43 1.57 -0.69 0.00 0.00 174.62 177.50 1u7t n HIS 109 N 2.99 2.01 -2.71 4.92 -0.00 -0.85 -4.93 115.22 116.65 1u7t n HIS 109 Ca -0.18 0.43 -0.35 0.00 0.46 0.00 0.00 57.72 58.08 1u7t n HIS 109 Cb 0.52 -2.45 -0.06 0.00 -0.12 0.00 0.00 29.99 27.89 1u7t n HIS 109 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1u7t s THR 110 N 0.36 4.11 0.15 3.57 -4.23 -1.26 -4.95 115.64 113.39 1u7t s THR 110 Ca 0.75 1.49 -0.16 0.00 -1.18 0.00 0.00 61.69 62.58 1u7t s THR 110 Cb -0.73 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 69.43 1u7t s THR 110 CO 0.45 -0.11 1.76 0.25 -0.54 0.00 0.00 174.62 176.43 1u7t h LEU 111 N 2.32 0.17 -1.00 4.79 5.85 -2.01 -2.75 115.31 122.69 1u7t h LEU 111 Ca -0.48 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1u7t h LEU 111 Cb 1.20 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1u7t h LEU 111 CO 0.62 0.13 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.34 1u7t h GLU 112 N 0.30 0.00 -0.79 1.25 4.39 -1.98 0.47 114.58 118.22 1u7t h GLU 112 Ca 0.16 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1u7t h GLU 112 Cb 0.12 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1u7t h GLU 112 CO -0.15 0.19 0.44 -0.44 -1.16 0.00 0.00 179.01 177.89 1u7t h ASP 113 N 0.00 0.97 -0.17 1.42 3.32 -1.88 -0.43 116.42 119.65 1u7t h ASP 113 Ca -0.00 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1u7t h ASP 113 Cb 0.78 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1u7t h ASP 113 CO 0.02 0.77 -0.22 0.15 -1.72 0.00 0.00 179.24 178.25 1u7t h PHE 114 N 1.10 0.54 -0.63 4.55 3.04 -0.81 -3.13 116.94 121.61 1u7t h PHE 114 Ca 0.28 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1u7t h PHE 114 Cb 0.01 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 1u7t h PHE 114 CO 0.01 0.85 0.36 0.37 -2.02 0.00 0.00 178.31 177.87 1u7t h GLN 115 N 0.08 0.87 -0.65 1.11 5.75 -0.99 -2.57 115.11 118.71 1u7t h GLN 115 Ca 0.02 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1u7t h GLN 115 Cb 0.78 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 1u7t h GLN 115 CO 0.05 0.65 0.34 0.00 -2.65 0.00 0.00 178.83 177.22 1u7t h ARG 116 N 0.86 0.92 -0.26 1.69 -0.00 -1.12 0.13 114.38 116.60 1u7t h ARG 116 Ca 0.22 -0.12 -0.19 0.00 -0.50 0.00 0.00 59.98 59.39 1u7t h ARG 116 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 29.82 1u7t h ARG 116 CO -0.04 0.72 -0.57 0.28 0.00 0.00 0.00 179.97 180.36 1u7t h VAL 117 N 0.90 1.28 0.00 2.04 2.07 -1.47 -1.31 116.25 119.75 1u7t h VAL 117 Ca 0.23 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 66.02 1u7t h VAL 117 Cb 0.08 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1u7t h VAL 117 CO -0.03 0.57 -0.18 -0.07 0.02 0.00 0.00 177.57 177.88 1u7t h LEU 118 N 0.61 -0.52 -0.09 2.57 3.38 -1.35 -0.19 115.31 119.73 1u7t h LEU 118 Ca 0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1u7t h LEU 118 Cb 1.18 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1u7t h LEU 118 CO 0.12 -0.24 -0.22 0.44 0.09 0.00 0.00 178.44 178.63 1u7t h ASP 119 N -0.29 -0.67 -0.01 -0.43 3.45 -0.52 0.73 116.42 118.68 1u7t h ASP 119 Ca 0.05 0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 1u7t h ASP 119 Cb 0.36 0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 1u7t h ASP 119 CO -0.17 -0.27 -0.03 0.58 -1.57 0.00 0.00 179.24 177.78 1u7t h VAL 120 N -0.30 1.48 -0.10 -1.35 2.07 -1.23 -0.21 116.25 116.62 1u7t h VAL 120 Ca 0.09 -1.45 -0.20 0.00 0.82 0.00 0.00 66.70 65.95 1u7t h VAL 120 Cb 0.43 2.44 0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1u7t h VAL 120 CO -0.26 0.38 -0.74 0.78 0.02 0.00 0.00 177.57 177.75 1u7t h ASN 121 N -0.56 0.82 0.00 0.57 4.21 -0.94 -3.18 115.58 116.50 1u7t h ASN 121 Ca -0.00 -0.66 0.00 0.00 1.21 0.00 0.00 56.30 56.85 1u7t h ASN 121 Cb 0.64 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1u7t h ASN 121 CO 0.01 1.36 -0.71 -0.11 -1.29 0.00 0.00 177.43 176.68 1u7t n LEU 122 N -4.03 1.49 -0.12 1.61 7.94 0.19 -3.87 117.00 120.20 1u7t n LEU 122 Ca -0.09 0.25 -0.05 0.00 -1.11 0.00 0.00 56.01 55.01 1u7t n LEU 122 Cb 0.73 -0.64 0.03 0.00 0.53 0.00 0.00 43.42 44.06 1u7t n LEU 122 CO 0.51 -0.36 0.92 -0.03 -1.11 0.00 0.00 177.39 177.33 1u7t h MET 123 N -0.71 0.25 -0.42 1.96 4.05 -1.43 -0.30 114.93 118.32 1u7t h MET 123 Ca 0.00 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.47 1u7t h MET 123 Cb 0.71 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.40 1u7t h MET 123 CO 0.00 0.16 0.11 0.78 0.23 0.00 0.00 176.91 178.19 1u7t h GLY 124 N 0.25 0.52 0.99 1.39 0.00 -1.00 0.29 103.07 105.50 1u7t h GLY 124 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1u7t h GLY 124 CO -0.22 -0.02 0.31 -0.84 0.00 0.00 0.00 176.54 175.77 1u7t h THR 125 N 0.25 1.19 -0.72 4.70 2.02 -1.57 -2.21 112.91 116.56 1u7t h THR 125 Ca 0.20 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 1u7t h THR 125 Cb 0.23 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1u7t h THR 125 CO -0.24 0.20 0.23 0.15 0.37 0.00 0.00 175.52 176.23 1u7t h PHE 126 N 0.76 1.15 -0.49 3.16 3.57 0.13 -1.61 116.94 123.60 1u7t h PHE 126 Ca 0.20 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1u7t h PHE 126 Cb 0.05 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 38.39 1u7t h PHE 126 CO -0.01 0.91 0.15 -0.97 -2.23 0.00 0.00 178.31 176.15 1u7t h ASN 127 N 1.07 0.12 -0.55 0.41 -1.24 -0.25 -0.17 115.58 114.98 1u7t h ASN 127 Ca 0.23 0.07 -0.10 0.00 0.71 0.00 0.00 56.30 57.22 1u7t h ASN 127 Cb 0.30 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 1u7t h ASN 127 CO -0.01 0.10 -0.03 0.58 -1.29 0.00 0.00 177.43 176.78 1u7t h VAL 128 N 0.31 1.27 -0.19 2.57 2.07 -1.19 -2.86 116.25 118.23 1u7t h VAL 128 Ca 0.24 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1u7t h VAL 128 Cb 0.27 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1u7t h VAL 128 CO -0.26 0.41 0.11 0.40 0.02 0.00 0.00 177.57 178.25 1u7t h ILE 129 N 0.86 1.09 -0.45 4.57 2.04 -0.59 0.14 117.51 125.18 1u7t h ILE 129 Ca 0.15 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1u7t h ILE 129 Cb 0.58 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1u7t h ILE 129 CO 0.03 0.09 -0.14 0.08 0.00 0.00 0.00 178.15 178.21 1u7t h ARG 130 N 0.22 0.83 0.05 2.37 0.11 -1.07 0.15 114.38 117.05 1u7t h ARG 130 Ca 0.07 -0.30 -0.22 0.00 0.10 0.00 0.00 59.98 59.64 1u7t h ARG 130 Cb 0.04 -0.06 0.02 0.00 1.11 0.00 0.00 29.97 31.08 1u7t h ARG 130 CO -0.01 0.92 -0.87 -0.07 0.10 0.00 0.00 179.97 180.03 1u7t h LEU 131 N 0.74 0.68 -0.93 0.08 3.38 -1.47 -3.15 115.31 114.65 1u7t h LEU 131 Ca 0.12 -0.80 -0.11 0.00 0.09 0.00 0.00 57.88 57.18 1u7t h LEU 131 Cb 0.64 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1u7t h LEU 131 CO 0.04 1.40 -0.53 1.62 0.09 0.00 0.00 178.44 181.07 1u7t h VAL 132 N 0.04 1.34 -0.72 1.22 3.04 -0.63 -2.65 116.25 117.90 1u7t h VAL 132 Ca -0.12 -1.82 -0.01 0.00 -1.01 0.00 0.00 66.70 63.74 1u7t h VAL 132 Cb 1.58 1.99 -0.04 0.00 -2.01 0.00 0.00 31.29 32.82 1u7t h VAL 132 CO 0.17 0.52 0.43 0.00 -1.01 0.00 0.00 177.57 177.67 1u7t h ALA 133 N 1.47 1.40 -0.15 3.17 0.00 -0.73 0.53 119.26 124.95 1u7t h ALA 133 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1u7t h ALA 133 Cb 0.95 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1u7t h ALA 133 CO 0.07 0.51 -0.31 0.78 0.00 0.00 0.00 179.25 180.31 1u7t h GLY 134 N 1.02 0.32 0.85 0.00 0.00 -1.43 0.12 103.07 103.94 1u7t h GLY 134 Ca 0.26 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1u7t h GLY 134 CO -0.05 0.24 -0.22 0.83 0.00 0.00 0.00 176.54 177.35 1u7t h GLU 135 N 0.26 0.52 0.00 4.80 4.39 -1.15 -3.21 114.58 120.19 1u7t h GLU 135 Ca 0.04 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 1u7t h GLU 135 Cb 0.68 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1u7t h GLU 135 CO 0.05 0.86 -0.28 0.52 -1.16 0.00 0.00 179.01 179.00 1u7t h MET 136 N 0.19 0.00 0.00 2.33 2.86 -0.52 -2.28 114.93 117.51 1u7t h MET 136 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1u7t h MET 136 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1u7t h MET 136 CO 0.05 0.28 0.00 0.78 1.06 0.00 0.00 176.91 179.08 1u7t h GLY 137 N 1.34 0.00 1.54 8.32 0.00 -0.98 -0.78 103.07 112.51 1u7t h GLY 137 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u7t h GLY 137 CO 0.04 0.00 -0.29 0.61 0.00 0.00 0.00 176.54 176.90 1u7t n GLN 138 N -2.42 0.14 -2.42 4.80 10.64 -0.86 -4.87 117.38 122.39 1u7t n GLN 138 Ca -0.00 0.08 -0.38 0.00 -1.83 0.00 0.00 57.00 54.86 1u7t n GLN 138 Cb 0.12 -1.63 -0.03 0.00 -0.86 0.00 0.00 30.24 27.85 1u7t n GLN 138 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1u7t s ASN 139 N -3.71 6.78 0.23 2.61 0.01 -0.30 -4.99 114.94 115.56 1u7t s ASN 139 Ca 0.10 2.22 -0.30 0.00 -0.71 0.00 0.00 52.86 54.18 1u7t s ASN 139 Cb 0.15 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 39.12 1u7t s ASN 139 CO 0.64 -0.49 1.29 -1.83 -1.51 0.00 0.00 177.10 175.21 1u7t s GLU 140 N -2.16 4.40 0.53 -0.60 -1.05 -1.26 -4.91 118.70 113.64 1u7t s GLU 140 Ca 0.54 2.06 -0.22 0.00 -0.15 0.00 0.00 54.97 57.20 1u7t s GLU 140 Cb -0.28 -3.17 -0.05 0.00 -0.44 0.00 0.00 34.13 30.18 1u7t s GLU 140 CO 0.35 -0.21 1.34 -2.14 0.95 0.00 0.00 175.26 175.55 1u7t s PRO 141 N -0.49 3.25 0.09 -4.83 0.02 -1.26 -4.80 135.00 126.99 1u7t s PRO 141 Ca 0.54 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.74 1u7t s PRO 141 Cb -0.37 -2.30 0.02 0.00 0.02 0.00 0.00 34.50 31.87 1u7t s PRO 141 CO 0.41 -1.08 0.11 -0.40 -0.33 0.00 0.00 177.00 175.70 1u7t n ASP 142 N -0.91 -0.26 0.28 2.53 5.68 -0.01 -4.74 116.55 119.12 1u7t n ASP 142 Ca 0.10 -0.92 0.17 0.00 -0.50 0.00 0.00 54.79 53.64 1u7t n ASP 142 Cb 0.45 -0.09 0.94 0.00 -1.14 0.00 0.00 41.12 41.29 1u7t n ASP 142 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1u7t h GLN 143 N 0.00 0.00 -0.08 0.11 -0.00 -1.95 0.14 115.11 113.33 1u7t h GLN 143 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1u7t h GLN 143 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1u7t h GLN 143 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.26 1u7t n GLY 144 N -1.30 0.49 1.92 0.06 0.00 -1.26 -4.90 105.19 100.20 1u7t n GLY 144 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1u7t n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u7t n GLY 145 N 1.25 0.46 3.79 -0.02 0.00 0.49 -5.03 105.19 106.13 1u7t n GLY 145 Ca 0.17 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1u7t n GLY 145 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u7t s GLN 146 N -1.02 4.00 -0.01 1.61 0.74 -1.26 -4.44 119.66 119.29 1u7t s GLN 146 Ca 0.00 0.18 0.13 0.00 0.05 0.00 0.00 55.36 55.72 1u7t s GLN 146 Cb 0.00 -3.31 -0.18 0.00 1.10 0.00 0.00 33.01 30.62 1u7t s GLN 146 CO 0.00 0.48 0.42 0.54 -0.55 0.00 0.00 175.29 176.19 1u7t n ARG 147 N 2.70 1.53 -3.61 1.67 1.74 0.24 -0.83 116.66 120.10 1u7t n ARG 147 Ca -0.14 -0.06 -0.02 0.00 -0.77 0.00 0.00 57.85 56.86 1u7t n ARG 147 Cb 0.53 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 30.73 1u7t n ARG 147 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1u7t s GLY 148 N -2.90 -0.31 -0.05 -0.13 0.00 -1.10 -4.78 107.32 98.05 1u7t s GLY 148 Ca -0.00 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.19 1u7t s GLY 148 CO 0.55 0.45 -0.02 0.14 0.00 0.00 0.00 173.10 174.21 1u7t s VAL 149 N -2.24 0.44 -0.13 1.40 1.01 -0.68 -1.88 120.40 118.32 1u7t s VAL 149 Ca 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1u7t s VAL 149 Cb 0.01 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1u7t s VAL 149 CO -0.04 0.23 -0.18 -0.63 0.00 0.00 0.00 175.10 174.48 1u7t s ILE 150 N 1.26 2.50 -0.14 2.22 1.01 -0.08 -1.49 121.20 126.48 1u7t s ILE 150 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.77 1u7t s ILE 150 Cb -0.14 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1u7t s ILE 150 CO -0.02 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 174.63 1u7t s ILE 151 N 0.60 1.85 0.31 2.92 1.01 0.08 -0.93 121.20 127.05 1u7t s ILE 151 Ca -0.10 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.77 1u7t s ILE 151 Cb -0.16 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1u7t s ILE 151 CO 0.03 0.51 0.36 0.20 0.00 0.00 0.00 174.94 176.04 1u7t s ASN 152 N 0.99 5.78 -0.26 3.58 0.02 -0.02 -0.99 114.94 124.03 1u7t s ASN 152 Ca -0.04 -0.24 -0.01 0.00 -1.02 0.00 0.00 52.86 51.55 1u7t s ASN 152 Cb -0.15 -1.29 0.04 0.00 0.02 0.00 0.00 41.25 39.87 1u7t s ASN 152 CO -0.04 -0.29 -0.05 -0.89 0.02 0.00 0.00 177.10 175.85 1u7t s THR 153 N -2.17 2.78 0.00 1.60 2.01 -0.98 -1.40 115.64 117.48 1u7t s THR 153 Ca 0.40 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1u7t s THR 153 Cb -0.08 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1u7t s THR 153 CO 0.29 0.08 0.00 0.00 -0.69 0.00 0.00 174.62 174.29 1u7t n ALA 154 N 4.62 0.00 0.00 7.40 0.00 0.20 -4.96 120.51 127.76 1u7t n ALA 154 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1u7t n ALA 154 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1u7t n ALA 154 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u7t n SER 155 N 0.00 0.00 0.26 0.00 2.88 -1.26 -4.47 113.62 111.03 1u7t n SER 155 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1u7t n SER 155 Cb 0.00 0.00 0.87 0.00 -0.75 0.00 0.00 64.21 64.33 1u7t n SER 155 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1u7t h VAL 156 N 0.20 0.00 0.00 2.46 -1.51 -1.46 -1.36 116.25 114.58 1u7t h VAL 156 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1u7t h VAL 156 Cb 0.00 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1u7t h VAL 156 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1u7t h ALA 157 N 2.03 1.00 0.00 5.19 0.00 -1.84 0.40 119.26 126.04 1u7t h ALA 157 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u7t h ALA 157 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1u7t h ALA 157 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.19 1u7t h ALA 158 N 2.04 1.79 0.00 0.00 0.00 -1.48 -2.79 119.26 118.83 1u7t h ALA 158 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1u7t h ALA 158 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1u7t h ALA 158 CO 0.00 0.07 -1.52 1.19 0.00 0.00 0.00 179.25 178.99 1u7t n PHE 159 N -4.31 0.00 -2.93 0.00 3.01 0.13 -4.73 117.46 108.63 1u7t n PHE 159 Ca -0.03 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.24 1u7t n PHE 159 Cb 0.14 -0.37 -0.02 0.00 -0.01 0.00 0.00 39.48 39.23 1u7t n PHE 159 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1u7t n GLU 160 N -2.44 1.84 -1.71 -1.08 4.71 -0.21 -5.08 120.64 116.66 1u7t n GLU 160 Ca -0.14 -3.84 -0.43 0.00 -0.01 0.00 0.00 57.16 52.75 1u7t n GLU 160 Cb 0.72 -1.80 -0.01 0.00 -1.01 0.00 0.00 31.44 29.34 1u7t n GLU 160 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1u7t n GLY 161 N -0.01 0.84 3.95 0.62 0.00 -1.05 -4.58 105.19 104.96 1u7t n GLY 161 Ca 0.25 0.39 -0.23 0.00 0.00 0.00 0.00 46.02 46.42 1u7t n GLY 161 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u7t s GLN 162 N -1.29 2.48 0.18 1.61 -0.21 -1.26 -4.87 119.66 116.31 1u7t s GLN 162 Ca 0.60 -0.55 -0.33 0.00 0.02 0.00 0.00 55.36 55.10 1u7t s GLN 162 Cb -0.57 -2.37 -0.15 0.00 1.00 0.00 0.00 33.01 30.92 1u7t s GLN 162 CO 0.57 -0.86 1.35 0.28 -2.12 0.00 0.00 175.29 174.51 1u7t n VAL 163 N -2.53 0.64 0.00 1.09 0.31 -1.26 -1.49 118.33 115.08 1u7t n VAL 163 Ca 0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1u7t n VAL 163 Cb 0.60 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1u7t n VAL 163 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u7t n GLY 164 N 2.37 2.26 1.72 2.92 0.00 -1.26 -4.92 105.19 108.29 1u7t n GLY 164 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1u7t n GLY 164 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u7t n GLN 165 N -2.00 4.39 -0.07 1.61 6.02 -0.56 -0.66 117.38 126.10 1u7t n GLN 165 Ca 0.00 -2.82 -0.07 0.00 -0.01 0.00 0.00 57.00 54.10 1u7t n GLN 165 Cb 0.00 -2.15 -0.01 0.00 1.02 0.00 0.00 30.24 29.11 1u7t n GLN 165 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u7t h ALA 166 N 3.86 0.23 -0.15 -1.58 0.00 -1.79 0.21 119.26 120.04 1u7t h ALA 166 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1u7t h ALA 166 Cb 1.77 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1u7t h ALA 166 CO 0.41 -0.43 -0.01 0.00 0.00 0.00 0.00 179.25 179.22 1u7t h ALA 167 N 1.26 0.20 -0.32 0.00 0.00 -1.87 -1.11 119.26 117.42 1u7t h ALA 167 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1u7t h ALA 167 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1u7t h ALA 167 CO -0.25 -0.08 0.16 -0.92 0.00 0.00 0.00 179.25 178.15 1u7t h TYR 168 N -0.01 0.29 -0.78 0.00 3.20 -1.82 -1.48 116.97 116.36 1u7t h TYR 168 Ca 0.04 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1u7t h TYR 168 Cb 0.41 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1u7t h TYR 168 CO 0.04 0.16 0.52 0.77 -1.64 0.00 0.00 178.16 178.01 1u7t h SER 169 N 0.33 0.90 -0.22 -2.11 0.02 -0.52 0.02 113.55 111.97 1u7t h SER 169 Ca 0.13 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1u7t h SER 169 Cb 0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1u7t h SER 169 CO -0.09 0.65 0.13 0.00 -1.14 0.00 0.00 176.83 176.38 1u7t h ALA 170 N 1.51 0.28 -0.59 3.77 0.00 -0.54 0.25 119.26 123.95 1u7t h ALA 170 Ca 0.29 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1u7t h ALA 170 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1u7t h ALA 170 CO -0.06 -0.20 -0.03 0.66 0.00 0.00 0.00 179.25 179.61 1u7t h SER 171 N 0.26 1.04 0.88 0.00 4.64 -0.74 -1.37 113.55 118.26 1u7t h SER 171 Ca 0.08 -0.32 -0.19 0.00 -0.47 0.00 0.00 61.79 60.89 1u7t h SER 171 Cb 0.05 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 1u7t h SER 171 CO -0.01 1.11 -0.89 0.11 -0.87 0.00 0.00 176.83 176.28 1u7t h LYS 172 N 0.95 0.00 -0.27 4.77 1.79 -0.85 -2.42 116.57 120.54 1u7t h LYS 172 Ca 0.16 -0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.53 1u7t h LYS 172 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1u7t h LYS 172 CO 0.04 0.89 -0.24 0.78 -1.08 0.00 0.00 179.45 179.84 1u7t h GLY 173 N 2.65 0.56 0.99 3.86 0.00 -0.82 -1.20 103.07 109.12 1u7t h GLY 173 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1u7t h GLY 173 CO 0.12 0.42 0.23 -1.33 0.00 0.00 0.00 176.54 175.97 1u7t h GLY 174 N 1.01 0.91 0.98 4.60 0.00 -1.09 0.18 103.07 109.66 1u7t h GLY 174 Ca 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1u7t h GLY 174 CO 0.05 0.46 0.27 -2.22 0.00 0.00 0.00 176.54 175.10 1u7t h ILE 175 N 0.78 1.16 -0.19 2.60 1.08 -1.12 -1.46 117.51 120.35 1u7t h ILE 175 Ca 0.19 -0.38 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1u7t h ILE 175 Cb 0.20 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 1u7t h ILE 175 CO -0.02 0.16 0.01 0.58 -0.69 0.00 0.00 178.15 178.19 1u7t h VAL 176 N 0.61 0.88 -0.54 1.67 2.07 -0.88 -2.80 116.25 117.26 1u7t h VAL 176 Ca 0.16 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1u7t h VAL 176 Cb 0.02 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1u7t h VAL 176 CO -0.03 0.01 0.22 1.23 0.02 0.00 0.00 177.57 179.02 1u7t h GLY 177 N 0.07 0.83 0.11 2.17 0.00 -0.26 -1.99 103.07 103.99 1u7t h GLY 177 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1u7t h GLY 177 CO -0.14 0.39 -0.08 1.15 0.00 0.00 0.00 176.54 177.86 1u7t n MET 178 N -4.34 1.22 -0.04 4.80 0.00 -0.58 -4.23 117.12 113.95 1u7t n MET 178 Ca 0.04 -0.61 -0.11 0.00 0.00 0.00 0.00 57.70 57.02 1u7t n MET 178 Cb 0.16 -1.49 -0.04 0.00 0.00 0.00 0.00 33.22 31.85 1u7t n MET 178 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1u7t h THR 179 N 1.50 1.10 0.08 3.17 2.02 -1.08 -2.16 112.91 117.54 1u7t h THR 179 Ca 0.00 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1u7t h THR 179 Cb 0.42 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1u7t h THR 179 CO 0.00 0.09 -0.04 0.25 0.37 0.00 0.00 175.52 176.19 1u7t h LEU 180 N 0.17 -0.09 -1.47 2.58 5.85 -1.76 -2.12 115.31 118.48 1u7t h LEU 180 Ca 0.06 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1u7t h LEU 180 Cb 0.06 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1u7t h LEU 180 CO -0.01 0.34 0.37 1.55 -0.34 0.00 0.00 178.44 180.35 1u7t h PRO 181 N -0.54 0.71 -0.47 5.25 0.13 -1.78 0.31 132.00 135.60 1u7t h PRO 181 Ca -0.01 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1u7t h PRO 181 Cb 0.46 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1u7t h PRO 181 CO 0.02 0.47 -0.12 0.82 -0.23 0.00 0.00 178.00 178.96 1u7t h ILE 182 N 0.73 1.27 -0.99 -3.56 2.04 -1.40 0.20 117.51 115.81 1u7t h ILE 182 Ca 0.21 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1u7t h ILE 182 Cb -0.05 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1u7t h ILE 182 CO -0.05 0.43 0.65 0.00 0.00 0.00 0.00 178.15 179.18 1u7t h ALA 183 N 0.88 1.28 -0.34 1.87 0.00 -0.49 -1.63 119.26 120.82 1u7t h ALA 183 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1u7t h ALA 183 Cb 0.67 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u7t h ALA 183 CO 0.05 0.59 0.09 0.00 0.00 0.00 0.00 179.25 179.98 1u7t h ARG 184 N 1.29 0.54 -0.71 0.00 3.08 0.03 -0.90 114.38 117.71 1u7t h ARG 184 Ca 0.38 -0.12 0.12 0.00 0.07 0.00 0.00 59.98 60.43 1u7t h ARG 184 Cb -0.07 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 29.82 1u7t h ARG 184 CO -0.10 0.58 0.28 -0.44 -1.07 0.00 0.00 179.97 179.22 1u7t h ASP 185 N 0.40 0.28 0.02 7.04 3.45 -0.01 -3.00 116.42 124.59 1u7t h ASP 185 Ca 0.11 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.66 1u7t h ASP 185 Cb 0.28 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1u7t h ASP 185 CO -0.00 0.13 -0.62 0.18 -1.57 0.00 0.00 179.24 177.36 1u7t n LEU 186 N -4.99 1.63 -0.25 1.55 4.77 -0.67 -4.36 117.00 114.68 1u7t n LEU 186 Ca 0.12 -0.63 0.05 0.00 -0.03 0.00 0.00 56.01 55.52 1u7t n LEU 186 Cb 0.36 -0.01 0.18 0.00 -2.33 0.00 0.00 43.42 41.61 1u7t n LEU 186 CO 0.20 0.32 0.96 0.00 -1.33 0.00 0.00 177.39 177.54 1u7t h ALA 187 N 3.59 0.97 0.00 -1.18 0.00 -1.01 0.37 119.26 121.99 1u7t h ALA 187 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u7t h ALA 187 Cb 0.66 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1u7t h ALA 187 CO 0.00 -0.29 0.00 -1.35 0.00 0.00 0.00 179.25 177.61 1u7t h PRO 188 N 0.33 0.00 -0.27 0.00 0.11 -1.77 -1.47 132.00 128.93 1u7t h PRO 188 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1u7t h PRO 188 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1u7t h PRO 188 CO -0.46 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.77 1u7t n ILE 189 N -2.42 1.02 -2.34 4.15 -5.35 0.07 -4.99 119.36 109.51 1u7t n ILE 189 Ca -0.02 -1.02 -0.05 0.00 -0.27 0.00 0.00 62.75 61.40 1u7t n ILE 189 Cb 0.04 0.49 0.01 0.00 -1.74 0.00 0.00 39.64 38.44 1u7t n ILE 189 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u7t n GLY 190 N 0.28 0.37 3.22 3.28 0.00 -0.55 -4.22 105.19 107.57 1u7t n GLY 190 Ca 0.09 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1u7t n GLY 190 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u7t s ILE 191 N -2.56 3.30 0.39 -0.61 1.01 -1.09 -0.59 121.20 121.05 1u7t s ILE 191 Ca 0.05 -1.18 -0.24 0.00 0.00 0.00 0.00 60.65 59.28 1u7t s ILE 191 Cb -0.02 -2.83 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 1u7t s ILE 191 CO 0.06 -0.06 0.99 -0.13 0.00 0.00 0.00 174.94 175.80 1u7t s ARG 192 N 1.33 4.29 -0.10 2.79 0.52 -0.79 -4.34 118.95 122.66 1u7t s ARG 192 Ca -0.03 1.35 -0.01 0.00 -0.52 0.00 0.00 55.73 56.53 1u7t s ARG 192 Cb -0.19 -2.51 0.03 0.00 0.52 0.00 0.00 34.95 32.79 1u7t s ARG 192 CO -0.00 0.00 -0.06 0.08 0.02 0.00 0.00 175.30 175.34 1u7t s VAL 193 N -1.79 0.89 0.13 3.52 1.01 -1.26 -0.90 120.40 121.99 1u7t s VAL 193 Ca 0.57 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.40 1u7t s VAL 193 Cb -0.17 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1u7t s VAL 193 CO 0.22 0.35 -0.12 -0.04 0.00 0.00 0.00 175.10 175.51 1u7t s MET 194 N 1.76 0.99 -0.01 2.72 -1.94 -0.10 0.14 119.30 122.86 1u7t s MET 194 Ca 0.05 -1.30 0.02 0.00 -1.71 0.00 0.00 55.69 52.75 1u7t s MET 194 Cb -0.12 -0.70 -0.00 0.00 2.01 0.00 0.00 34.83 36.01 1u7t s MET 194 CO -0.08 0.11 -0.05 0.99 -0.01 0.00 0.00 175.02 175.98 1u7t s THR 195 N -2.65 0.45 -0.12 2.05 2.01 0.18 -0.84 115.64 116.71 1u7t s THR 195 Ca 0.11 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 1u7t s THR 195 Cb -0.02 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 1u7t s THR 195 CO 0.01 0.14 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.43 1u7t s ILE 196 N 0.03 4.01 -0.66 1.82 1.01 -0.49 -0.17 121.20 126.74 1u7t s ILE 196 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 1u7t s ILE 196 Cb -0.04 -2.72 0.17 0.00 0.01 0.00 0.00 42.46 39.88 1u7t s ILE 196 CO -0.00 0.54 0.49 0.00 0.00 0.00 0.00 174.94 175.97 1u7t s ALA 197 N -0.20 3.67 0.47 9.38 0.00 0.14 0.59 121.76 135.81 1u7t s ALA 197 Ca 0.04 -3.33 -0.23 0.00 0.00 0.00 0.00 51.96 48.44 1u7t s ALA 197 Cb -0.13 -2.73 -0.07 0.00 0.00 0.00 0.00 23.12 20.20 1u7t s ALA 197 CO 0.02 -2.13 1.22 -2.14 0.00 0.00 0.00 175.76 172.74 1u7t s PRO 198 N -0.19 3.63 0.00 0.00 0.02 -1.26 -1.99 135.00 135.21 1u7t s PRO 198 Ca 0.18 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.12 1u7t s PRO 198 Cb -0.19 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1u7t s PRO 198 CO -0.04 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 1u7t n GLY 199 N 0.54 1.34 3.26 0.52 0.00 -0.82 -1.58 105.19 108.45 1u7t n GLY 199 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1u7t n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u7t s LEU 200 N 0.00 2.85 0.05 0.99 1.43 -1.26 -4.78 118.68 117.97 1u7t s LEU 200 Ca 0.00 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1u7t s LEU 200 Cb 0.00 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1u7t s LEU 200 CO 0.00 -0.04 -0.19 -0.36 0.23 0.00 0.00 176.35 175.99 1u7t s PHE 201 N 1.42 1.67 -1.45 0.29 0.40 -1.26 0.06 117.98 119.10 1u7t s PHE 201 Ca 0.04 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.86 1u7t s PHE 201 Cb -0.15 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.41 1u7t s PHE 201 CO -0.05 0.10 2.36 0.41 0.70 0.00 0.00 175.22 178.74 1u7t n GLY 202 N 1.73 4.26 4.01 4.36 0.00 1.00 -4.42 105.19 116.12 1u7t n GLY 202 Ca -0.18 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 1u7t n GLY 202 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u7t s THR 203 N 3.09 2.79 0.54 2.61 -4.23 -1.26 -4.63 115.64 114.55 1u7t s THR 203 Ca 0.52 -0.98 0.37 0.00 -1.18 0.00 0.00 61.69 60.42 1u7t s THR 203 Cb 0.15 -2.81 0.56 0.00 1.34 0.00 0.00 72.50 71.73 1u7t s THR 203 CO -0.07 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.15 1u7t h PRO 204 N 0.50 0.01 -1.01 3.99 0.11 -1.96 0.23 132.00 133.87 1u7t h PRO 204 Ca -0.38 -0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.97 1u7t h PRO 204 Cb 1.28 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 1u7t h PRO 204 CO 0.44 0.01 0.63 1.25 -0.21 0.00 0.00 178.00 180.12 1u7t h LEU 205 N 0.01 0.60 0.00 2.35 5.85 -1.93 -2.47 115.31 119.71 1u7t h LEU 205 Ca 0.58 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 59.27 1u7t h LEU 205 Cb 2.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.30 1u7t h LEU 205 CO -0.02 0.14 -1.50 0.18 -0.34 0.00 0.00 178.44 176.90 1u7t n LEU 206 N -4.73 2.52 0.32 2.25 4.77 0.66 -4.58 117.00 118.21 1u7t n LEU 206 Ca 0.25 -0.04 0.21 0.00 -0.03 0.00 0.00 56.01 56.40 1u7t n LEU 206 Cb 0.75 -0.24 1.10 0.00 -2.33 0.00 0.00 43.42 42.71 1u7t n LEU 206 CO 0.22 0.57 1.14 0.71 -1.33 0.00 0.00 177.39 178.71 1u7t h THR 207 N 0.00 0.05 -0.28 -5.08 1.35 -1.21 -0.63 112.91 107.11 1u7t h THR 207 Ca -0.20 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1u7t h THR 207 Cb 1.33 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1u7t h THR 207 CO -0.02 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.71 1u7t n SER 208 N -3.15 1.55 -4.91 5.36 3.41 -0.93 -4.85 113.62 110.10 1u7t n SER 208 Ca -0.02 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.33 1u7t n SER 208 Cb 0.12 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1u7t n SER 208 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u7t s LEU 209 N -1.03 3.97 0.42 1.04 1.43 -0.25 -5.04 118.68 119.22 1u7t s LEU 209 Ca 0.20 0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 53.79 1u7t s LEU 209 Cb 0.11 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.64 1u7t s LEU 209 CO 0.14 -0.29 0.92 -2.65 0.23 0.00 0.00 176.35 174.70 1u7t n PRO 210 N -1.33 1.17 -0.33 1.29 -0.02 -1.26 -4.62 135.00 129.90 1u7t n PRO 210 Ca -0.02 0.42 0.06 0.00 -2.02 0.00 0.00 63.50 61.94 1u7t n PRO 210 Cb 0.55 -1.92 0.21 0.00 -0.02 0.00 0.00 33.50 32.31 1u7t n PRO 210 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u7t h GLU 211 N 1.38 0.89 -0.89 -0.52 4.81 -1.96 0.15 114.58 118.43 1u7t h GLU 211 Ca -0.43 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1u7t h GLU 211 Cb 1.35 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1u7t h GLU 211 CO 0.56 0.59 0.48 0.87 -0.73 0.00 0.00 179.01 180.77 1u7t h LYS 212 N 0.91 1.25 -0.35 1.92 1.57 -1.99 0.10 116.57 119.99 1u7t h LYS 212 Ca 0.46 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1u7t h LYS 212 Cb 0.44 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1u7t h LYS 212 CO -0.26 0.93 0.06 0.28 -0.57 0.00 0.00 179.45 179.88 1u7t h VAL 213 N 1.25 1.24 -0.16 0.50 2.07 -1.16 -0.20 116.25 119.79 1u7t h VAL 213 Ca 0.31 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1u7t h VAL 213 Cb 0.05 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1u7t h VAL 213 CO -0.05 0.28 -0.05 0.03 0.02 0.00 0.00 177.57 177.80 1u7t h ARG 214 N 0.41 -0.02 -0.83 1.57 3.08 -0.30 -0.07 114.38 118.23 1u7t h ARG 214 Ca 0.11 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.27 1u7t h ARG 214 Cb 0.35 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 1u7t h ARG 214 CO 0.01 -0.01 0.45 -0.91 -1.07 0.00 0.00 179.97 178.43 1u7t h ASN 215 N -0.02 0.61 -0.25 7.04 2.35 -0.67 -0.02 115.58 124.62 1u7t h ASN 215 Ca 0.08 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1u7t h ASN 215 Cb 0.14 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1u7t h ASN 215 CO -0.18 0.32 0.07 0.15 -1.65 0.00 0.00 177.43 176.14 1u7t h PHE 216 N 0.72 0.41 -0.20 1.19 3.57 0.13 0.15 116.94 122.91 1u7t h PHE 216 Ca 0.42 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 1u7t h PHE 216 Cb 0.46 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1u7t h PHE 216 CO -0.07 0.47 0.10 -0.07 -2.23 0.00 0.00 178.31 176.50 1u7t h LEU 217 N 0.24 0.26 -0.91 0.59 3.38 -0.57 -2.11 115.31 116.19 1u7t h LEU 217 Ca 0.08 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1u7t h LEU 217 Cb 0.26 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1u7t h LEU 217 CO -0.00 0.31 0.58 0.00 0.09 0.00 0.00 178.44 179.42 1u7t h ALA 218 N 0.96 1.25 0.00 1.53 0.00 -0.94 -1.57 119.26 120.49 1u7t h ALA 218 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u7t h ALA 218 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1u7t h ALA 218 CO -0.01 0.35 0.11 0.66 0.00 0.00 0.00 179.25 180.36 1u7t h SER 219 N 1.06 0.00 1.04 0.00 4.64 -0.26 -1.50 113.55 118.53 1u7t h SER 219 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1u7t h SER 219 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1u7t h SER 219 CO -0.16 0.00 -0.50 1.56 -0.87 0.00 0.00 176.83 176.86 1u7t h GLN 220 N 0.00 0.00 -5.82 4.77 1.08 -1.11 -3.45 115.11 110.58 1u7t h GLN 220 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 1u7t h GLN 220 Cb 0.21 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.56 1u7t h GLN 220 CO 0.00 0.00 0.39 0.08 -0.95 0.00 0.00 178.83 178.35 1u7t s VAL 221 N -3.17 4.88 0.09 -0.54 1.01 -0.57 -4.82 120.40 117.29 1u7t s VAL 221 Ca 0.07 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 1u7t s VAL 221 Cb 0.13 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.27 1u7t s VAL 221 CO 0.70 -0.01 1.64 -0.65 0.00 0.00 0.00 175.10 176.78 1u7t h PRO 222 N 7.54 -0.59 -1.91 2.72 0.11 -1.84 -3.33 132.00 134.70 1u7t h PRO 222 Ca -0.26 0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.92 1u7t h PRO 222 Cb 1.11 0.13 -0.22 0.00 0.11 0.00 0.00 31.00 32.14 1u7t h PRO 222 CO 0.84 -0.39 0.10 0.12 -0.21 0.00 0.00 178.00 178.46 1u7t s PHE 223 N -6.07 -0.96 0.47 0.65 5.36 -0.95 -4.21 117.98 112.27 1u7t s PHE 223 Ca -0.16 1.93 -0.21 0.00 -0.96 0.00 0.00 56.93 57.53 1u7t s PHE 223 Cb 0.06 0.57 -0.08 0.00 -0.34 0.00 0.00 43.02 43.22 1u7t s PHE 223 CO 0.64 -0.48 1.06 -1.25 -1.46 0.00 0.00 175.22 173.73 1u7t s PRO 224 N 1.54 3.84 -1.41 10.12 0.04 -1.26 -4.49 135.00 143.39 1u7t s PRO 224 Ca -0.10 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1u7t s PRO 224 Cb -0.05 -2.23 0.07 0.00 0.04 0.00 0.00 34.50 32.33 1u7t s PRO 224 CO -0.18 -0.41 2.18 0.43 0.04 0.00 0.00 177.00 179.06 1u7t n SER 225 N -0.72 4.75 -3.61 6.66 7.64 -1.25 -4.80 113.62 122.28 1u7t n SER 225 Ca 0.08 -2.91 -0.10 0.00 1.01 0.00 0.00 58.87 56.95 1u7t n SER 225 Cb 0.51 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 1u7t n SER 225 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u7t s ARG 226 N 2.10 1.47 0.69 1.43 1.70 -1.23 -4.57 118.95 120.54 1u7t s ARG 226 Ca 0.47 -0.68 -0.17 0.00 -0.47 0.00 0.00 55.73 54.88 1u7t s ARG 226 Cb 0.13 0.58 0.01 0.00 -0.57 0.00 0.00 34.95 35.11 1u7t s ARG 226 CO -0.06 -0.66 1.25 1.28 -1.08 0.00 0.00 175.30 176.03 1u7t n LEU 227 N -0.41 5.46 -4.78 -1.89 4.77 -1.26 -4.86 117.00 114.03 1u7t n LEU 227 Ca -0.11 0.76 -0.35 0.00 -0.03 0.00 0.00 56.01 56.28 1u7t n LEU 227 Cb 0.62 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1u7t n LEU 227 CO 0.13 -1.25 0.77 -0.83 -1.33 0.00 0.00 177.39 174.89 1u7t s GLY 228 N -1.57 2.64 -0.14 -0.72 0.00 0.11 -4.66 107.32 102.99 1u7t s GLY 228 Ca 0.80 0.78 -0.22 0.00 0.00 0.00 0.00 44.72 46.08 1u7t s GLY 228 CO 0.43 1.16 0.67 -0.35 0.00 0.00 0.00 173.10 175.01 1u7t s ASP 229 N -1.71 6.84 0.51 1.64 3.68 -1.26 -0.00 116.67 126.36 1u7t s ASP 229 Ca 0.68 1.02 0.34 0.00 2.13 0.00 0.00 52.55 56.72 1u7t s ASP 229 Cb -0.23 -2.38 1.47 0.00 -1.45 0.00 0.00 42.92 40.33 1u7t s ASP 229 CO 0.27 -0.21 1.76 -0.65 0.13 0.00 0.00 175.17 176.47 1u7t h PRO 230 N 7.11 0.08 0.00 4.34 0.11 -1.93 1.40 132.00 143.11 1u7t h PRO 230 Ca -0.36 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1u7t h PRO 230 Cb 1.16 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1u7t h PRO 230 CO 0.77 0.06 -0.06 0.00 -0.21 0.00 0.00 178.00 178.56 1u7t h ALA 231 N 1.42 1.19 0.01 -0.75 0.00 -1.92 -1.72 119.26 117.49 1u7t h ALA 231 Ca 0.64 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 55.27 1u7t h ALA 231 Cb 2.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1u7t h ALA 231 CO -0.10 0.07 -0.97 0.93 0.00 0.00 0.00 179.25 179.18 1u7t h GLU 232 N 0.00 0.41 -0.18 0.00 5.08 0.15 -0.98 114.58 119.07 1u7t h GLU 232 Ca -0.00 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1u7t h GLU 232 Cb 0.24 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1u7t h GLU 232 CO 0.01 1.12 0.06 -0.92 -1.00 0.00 0.00 179.01 178.28 1u7t h TYR 233 N 0.23 0.11 -0.44 4.33 3.20 -1.33 -2.28 116.97 120.79 1u7t h TYR 233 Ca -0.09 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.85 1u7t h TYR 233 Cb 1.61 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.81 1u7t h TYR 233 CO 0.06 0.06 0.17 0.00 -1.64 0.00 0.00 178.16 176.80 1u7t h ALA 234 N 1.11 0.53 -1.00 1.82 0.00 -1.26 0.25 119.26 120.70 1u7t h ALA 234 Ca 0.08 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1u7t h ALA 234 Cb 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 1u7t h ALA 234 CO -0.08 -0.22 0.63 1.25 0.00 0.00 0.00 179.25 180.83 1u7t h HIS 235 N 0.34 1.12 -0.22 0.00 -0.00 -1.01 -1.09 115.15 114.29 1u7t h HIS 235 Ca 0.20 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 60.43 1u7t h HIS 235 Cb 0.18 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1u7t h HIS 235 CO -0.14 0.39 -0.58 1.25 -0.00 0.00 0.00 177.93 178.85 1u7t h LEU 236 N 0.93 0.77 -0.51 0.26 5.85 -0.43 -1.58 115.31 120.60 1u7t h LEU 236 Ca 0.52 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1u7t h LEU 236 Cb 0.60 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1u7t h LEU 236 CO -0.29 1.18 0.21 0.58 -0.34 0.00 0.00 178.44 179.78 1u7t h VAL 237 N 0.52 0.88 -0.77 1.05 2.07 -0.23 -1.82 116.25 117.95 1u7t h VAL 237 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1u7t h VAL 237 Cb 1.15 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1u7t h VAL 237 CO 0.12 0.08 0.42 -0.61 0.02 0.00 0.00 177.57 177.60 1u7t h GLN 238 N 0.42 1.07 -0.65 1.57 4.15 -0.99 -0.67 115.11 120.01 1u7t h GLN 238 Ca 0.24 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1u7t h GLN 238 Cb 0.21 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1u7t h GLN 238 CO -0.21 0.79 0.41 0.00 -1.93 0.00 0.00 178.83 177.89 1u7t h ALA 239 N 1.22 0.83 -0.55 3.38 0.00 -0.73 0.28 119.26 123.70 1u7t h ALA 239 Ca 0.27 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1u7t h ALA 239 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1u7t h ALA 239 CO -0.04 0.29 0.05 0.82 0.00 0.00 0.00 179.25 180.36 1u7t h ILE 240 N 0.88 1.26 -0.85 0.00 2.04 -1.08 0.35 117.51 120.12 1u7t h ILE 240 Ca 0.24 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1u7t h ILE 240 Cb -0.06 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1u7t h ILE 240 CO -0.05 0.37 0.55 0.40 0.00 0.00 0.00 178.15 179.43 1u7t h ILE 241 N 0.81 1.18 0.00 -0.67 2.04 -0.63 -3.12 117.51 117.12 1u7t h ILE 241 Ca 0.16 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.47 1u7t h ILE 241 Cb 0.47 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1u7t h ILE 241 CO 0.02 0.20 -0.83 -0.33 0.00 0.00 0.00 178.15 177.21 1u7t h GLU 242 N 1.10 0.00 -5.83 2.37 5.08 -0.46 -3.43 114.58 113.41 1u7t h GLU 242 Ca 0.32 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 58.06 1u7t h GLU 242 Cb -0.07 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.06 1u7t h GLU 242 CO -0.09 0.82 0.40 1.21 -1.00 0.00 0.00 179.01 180.36 1u7t s ASN 243 N -6.62 6.41 0.28 1.42 3.84 0.07 -4.88 114.94 115.47 1u7t s ASN 243 Ca 0.02 -0.12 0.24 0.00 0.21 0.00 0.00 52.86 53.21 1u7t s ASN 243 Cb 0.09 -2.40 1.04 0.00 -0.55 0.00 0.00 41.25 39.43 1u7t s ASN 243 CO 0.79 -0.96 1.72 -2.65 -2.79 0.00 0.00 177.10 173.21 1u7t n PRO 244 N 6.84 0.20 -0.06 0.43 -0.02 -1.26 -3.05 135.00 138.08 1u7t n PRO 244 Ca 0.03 0.47 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1u7t n PRO 244 Cb 0.48 -1.91 0.12 0.00 -0.02 0.00 0.00 33.50 32.17 1u7t n PRO 244 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1u7t n PHE 245 N -2.29 0.16 -2.80 6.00 -0.00 -1.26 -4.86 117.46 112.40 1u7t n PHE 245 Ca 0.01 -0.10 -0.43 0.00 -0.00 0.00 0.00 57.45 56.94 1u7t n PHE 245 Cb 0.20 -0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.65 1u7t n PHE 245 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1u7t s LEU 246 N -1.53 3.99 -0.20 -2.13 1.43 -1.17 -5.00 118.68 114.07 1u7t s LEU 246 Ca 0.27 0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 1u7t s LEU 246 Cb 0.18 -3.25 0.05 0.00 0.03 0.00 0.00 46.19 43.20 1u7t s LEU 246 CO 0.26 -0.91 0.56 0.21 0.23 0.00 0.00 176.35 176.69 1u7t s ASN 247 N 1.98 -0.57 -0.89 2.29 2.47 -1.26 -4.75 114.94 114.21 1u7t s ASN 247 Ca 0.38 1.07 0.00 0.00 0.42 0.00 0.00 52.86 54.73 1u7t s ASN 247 Cb -0.11 1.09 0.00 0.00 -1.45 0.00 0.00 41.25 40.77 1u7t s ASN 247 CO 0.21 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.97 1u7t n GLY 248 N 2.63 0.95 3.41 1.21 0.00 0.12 -4.98 105.19 108.54 1u7t n GLY 248 Ca -0.14 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1u7t n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u7t s GLU 249 N -2.85 1.52 -0.14 1.61 2.56 -1.25 -4.49 118.70 115.65 1u7t s GLU 249 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 54.97 53.31 1u7t s GLU 249 Cb 0.00 -1.52 -0.01 0.00 2.00 0.00 0.00 34.13 34.60 1u7t s GLU 249 CO 0.00 0.28 -0.15 0.08 -0.56 0.00 0.00 175.26 174.91 1u7t s VAL 250 N -2.56 2.81 -0.19 3.70 1.01 -1.26 -0.65 120.40 123.26 1u7t s VAL 250 Ca 0.26 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1u7t s VAL 250 Cb -0.04 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1u7t s VAL 250 CO 0.11 0.52 -0.14 -0.63 0.00 0.00 0.00 175.10 174.96 1u7t s ILE 251 N 0.51 2.59 -0.01 2.22 1.01 0.76 -4.95 121.20 123.32 1u7t s ILE 251 Ca -0.10 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 1u7t s ILE 251 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1u7t s ILE 251 CO 0.04 0.50 1.23 -0.13 0.00 0.00 0.00 174.94 176.59 1u7t s ARG 252 N 1.27 4.36 -0.47 2.79 0.52 -1.26 -0.68 118.95 125.48 1u7t s ARG 252 Ca 0.03 1.75 0.03 0.00 -0.52 0.00 0.00 55.73 57.03 1u7t s ARG 252 Cb -0.14 -3.50 0.13 0.00 0.52 0.00 0.00 34.95 31.96 1u7t s ARG 252 CO -0.08 -0.42 0.23 -1.17 0.02 0.00 0.00 175.30 173.88 1u7t s LEU 253 N 1.93 3.77 0.00 2.53 2.96 -0.84 -4.92 118.68 124.11 1u7t s LEU 253 Ca 0.58 -2.76 0.00 0.00 -0.22 0.00 0.00 54.13 51.73 1u7t s LEU 253 Cb -0.27 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1u7t s LEU 253 CO 0.25 -0.26 0.21 -0.90 -1.32 0.00 0.00 176.35 174.33 1u7t n ASP 254 N 3.42 0.00 -1.95 3.68 5.68 -1.26 -1.94 116.55 124.18 1u7t n ASP 254 Ca 0.06 -1.04 -0.20 0.00 -0.50 0.00 0.00 54.79 53.10 1u7t n ASP 254 Cb 0.34 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 1u7t n ASP 254 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u7t n GLY 255 N 0.00 0.70 2.27 6.12 0.00 -1.26 -2.44 105.19 110.58 1u7t n GLY 255 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1u7t n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u7t n ALA 256 N -0.36 -0.08 -1.70 4.61 0.00 -1.26 -2.23 120.51 119.49 1u7t n ALA 256 Ca -0.22 0.09 -0.34 0.00 0.00 0.00 0.00 53.44 52.96 1u7t n ALA 256 Cb 0.68 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 19.21 1u7t n ALA 256 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1u7t s ILE 257 N -2.09 3.36 -0.09 0.00 2.07 -1.02 -4.73 121.20 118.70 1u7t s ILE 257 Ca 0.00 0.77 0.01 0.00 -1.41 0.00 0.00 60.65 60.02 1u7t s ILE 257 Cb 0.00 -3.28 0.02 0.00 0.13 0.00 0.00 42.46 39.33 1u7t s ILE 257 CO 0.00 -0.26 -0.11 -0.13 -1.91 0.00 0.00 174.94 172.53 1u7t s ARG 258 N -3.57 1.71 0.17 3.50 1.81 -1.26 -5.02 118.95 116.29 1u7t s ARG 258 Ca 0.69 -0.37 -0.30 0.00 -1.72 0.00 0.00 55.73 54.03 1u7t s ARG 258 Cb -0.21 -1.56 -0.08 0.00 -0.45 0.00 0.00 34.95 32.66 1u7t s ARG 258 CO 0.31 -0.11 1.11 -1.64 -0.68 0.00 0.00 175.30 174.28 1u7t s MET 259 N 1.16 4.58 0.57 3.54 -1.94 -1.26 -5.05 119.30 120.90 1u7t s MET 259 Ca -0.05 1.73 0.03 0.00 -1.71 0.00 0.00 55.69 55.68 1u7t s MET 259 Cb -0.14 -3.28 0.05 0.00 2.01 0.00 0.00 34.83 33.47 1u7t s MET 259 CO -0.02 0.05 0.79 -0.65 -0.01 0.00 0.00 175.02 175.18 1u7t s GLN 260 N -0.31 2.38 0.00 2.03 -1.52 -1.26 -4.89 119.66 116.09 1u7t s GLN 260 Ca 0.50 -0.99 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 1u7t s GLN 260 Cb -0.30 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 1u7t s GLN 260 CO 0.35 -0.82 0.38 -2.30 -0.25 0.00 0.00 175.29 172.65