#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pea s LEU 9 N 0.00 3.83 -0.11 1.53 2.96 -1.26 -0.76 118.68 124.87 1pea s LEU 9 Ca 0.00 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1pea s LEU 9 Cb 0.00 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1pea s LEU 9 CO 0.00 0.20 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.45 1pea s ILE 10 N 0.21 1.46 -0.14 6.68 1.01 0.06 -4.40 121.20 126.08 1pea s ILE 10 Ca 0.04 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 1pea s ILE 10 Cb -0.12 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1pea s ILE 10 CO 0.00 0.43 0.55 -0.83 0.00 0.00 0.00 174.94 175.10 1pea s GLY 11 N 1.03 2.29 -0.36 6.18 0.00 0.45 -0.93 107.32 115.97 1pea s GLY 11 Ca -0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.38 1pea s GLY 11 CO -0.02 1.01 0.16 1.08 0.00 0.00 0.00 173.10 175.34 1pea s LEU 12 N 1.13 4.59 -0.97 0.66 1.43 0.11 -1.04 118.68 124.60 1pea s LEU 12 Ca 0.28 -1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.13 1pea s LEU 12 Cb -0.16 -1.94 0.25 0.00 0.03 0.00 0.00 46.19 44.37 1pea s LEU 12 CO 0.11 -0.38 0.92 -0.76 0.23 0.00 0.00 176.35 176.48 1pea s LEU 13 N 1.46 6.39 -0.02 1.79 1.43 -0.24 -3.46 118.68 126.03 1pea s LEU 13 Ca 0.00 -3.23 0.01 0.00 -1.03 0.00 0.00 54.13 49.88 1pea s LEU 13 Cb -0.20 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1pea s LEU 13 CO 0.04 -0.39 -0.01 -0.36 0.23 0.00 0.00 176.35 175.87 1pea s PHE 14 N -0.68 0.30 0.44 0.29 0.08 -1.26 -0.40 117.98 116.75 1pea s PHE 14 Ca 0.25 -0.01 -0.23 0.00 0.12 0.00 0.00 56.93 57.05 1pea s PHE 14 Cb -0.10 -0.35 -0.08 0.00 -0.57 0.00 0.00 43.02 41.92 1pea s PHE 14 CO -0.09 -0.10 1.15 -1.12 -0.10 0.00 0.00 175.22 174.96 1pea s SER 15 N 0.77 6.31 -0.03 1.36 0.01 -1.26 -4.40 113.70 116.46 1pea s SER 15 Ca -0.08 2.27 0.09 0.00 1.31 0.00 0.00 55.95 59.54 1pea s SER 15 Cb -0.11 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.39 1pea s SER 15 CO -0.01 -0.82 0.16 1.21 0.41 0.00 0.00 173.24 174.19 1pea n GLU 16 N -0.34 0.77 -4.35 12.44 4.07 -1.26 -3.76 120.64 128.22 1pea n GLU 16 Ca 0.06 -0.06 -0.18 0.00 -0.06 0.00 0.00 57.16 56.92 1pea n GLU 16 Cb 0.48 -1.21 -0.10 0.00 -0.06 0.00 0.00 31.44 30.55 1pea n GLU 16 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1pea s THR 17 N -2.53 0.60 0.00 6.31 -4.23 -1.26 -4.80 115.64 109.73 1pea s THR 17 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1pea s THR 17 Cb 0.05 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1pea s THR 17 CO 0.36 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 1pea n GLY 18 N -0.54 -1.79 0.36 3.99 0.00 -1.26 -3.93 105.19 102.01 1pea n GLY 18 Ca -0.00 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.90 1pea n GLY 18 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1pea h VAL 19 N 0.00 0.99 -0.20 1.61 3.04 -1.92 -2.81 116.25 116.96 1pea h VAL 19 Ca 0.00 -0.25 -0.11 0.00 -1.01 0.00 0.00 66.70 65.33 1pea h VAL 19 Cb 0.00 0.20 -0.07 0.00 -2.01 0.00 0.00 31.29 29.41 1pea h VAL 19 CO 0.00 0.13 -0.31 0.35 -1.01 0.00 0.00 177.57 176.73 1pea n THR 20 N -4.49 2.40 -0.33 3.17 -2.24 -1.26 -0.13 114.28 111.39 1pea n THR 20 Ca 0.11 -3.06 -0.03 0.00 -2.27 0.00 0.00 64.05 58.80 1pea n THR 20 Cb 0.27 -0.32 0.09 0.00 -2.10 0.00 0.00 70.33 68.28 1pea n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pea h ALA 21 N 1.05 1.14 -0.36 6.98 0.00 -1.67 -0.58 119.26 125.81 1pea h ALA 21 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1pea h ALA 21 Cb 1.33 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1pea h ALA 21 CO 0.22 0.53 -0.00 -0.44 0.00 0.00 0.00 179.25 179.56 1pea h ASP 22 N 1.21 0.62 -0.08 0.00 3.32 -1.86 -0.85 116.42 118.78 1pea h ASP 22 Ca 0.33 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1pea h ASP 22 Cb -0.13 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 1pea h ASP 22 CO -0.07 0.78 -0.12 -0.29 -1.72 0.00 0.00 179.24 177.82 1pea h ILE 23 N 0.45 1.39 0.00 0.35 6.09 -1.88 -2.85 117.51 121.06 1pea h ILE 23 Ca 0.10 -1.35 -0.01 0.00 -1.37 0.00 0.00 64.86 62.23 1pea h ILE 23 Cb 0.46 2.08 -0.00 0.00 0.47 0.00 0.00 36.82 39.83 1pea h ILE 23 CO 0.02 0.38 -0.05 -0.33 -3.07 0.00 0.00 178.15 175.09 1pea h GLU 24 N -0.22 0.00 -0.52 2.19 5.08 -1.11 0.10 114.58 120.10 1pea h GLU 24 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1pea h GLU 24 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1pea h GLU 24 CO 0.03 0.05 -0.13 -0.09 -1.00 0.00 0.00 179.01 177.87 1pea h ARG 25 N 0.00 1.00 -0.68 2.33 2.43 -1.13 0.11 114.38 118.45 1pea h ARG 25 Ca -0.00 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1pea h ARG 25 Cb 0.10 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1pea h ARG 25 CO 0.01 1.06 0.44 1.03 -1.51 0.00 0.00 179.97 180.99 1pea h SER 26 N 0.88 0.79 -0.03 -3.80 0.87 -0.77 -1.49 113.55 110.00 1pea h SER 26 Ca 0.13 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 1pea h SER 26 Cb 0.70 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1pea h SER 26 CO 0.05 0.58 -0.65 1.56 -0.53 0.00 0.00 176.83 177.84 1pea h GLN 27 N 0.92 0.49 -0.43 2.24 4.20 -0.79 -2.95 115.11 118.80 1pea h GLN 27 Ca 0.25 -0.49 0.04 0.00 0.06 0.00 0.00 58.65 58.50 1pea h GLN 27 Cb -0.09 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1pea h GLN 27 CO -0.05 1.13 0.21 -0.09 -0.67 0.00 0.00 178.83 179.36 1pea h ARG 28 N 0.04 0.41 -0.83 1.46 2.43 -0.55 -2.32 114.38 115.02 1pea h ARG 28 Ca -0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1pea h ARG 28 Cb 1.33 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1pea h ARG 28 CO 0.13 0.27 0.45 1.88 -1.51 0.00 0.00 179.97 181.19 1pea h TYR 29 N 0.42 1.13 -0.05 2.20 0.05 -1.31 0.23 116.97 119.64 1pea h TYR 29 Ca 0.19 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.90 1pea h TYR 29 Cb 0.10 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 1pea h TYR 29 CO -0.11 0.78 -0.19 0.78 -1.05 0.00 0.00 178.16 178.38 1pea h GLY 30 N 1.18 0.08 0.69 3.88 0.00 -1.34 -0.22 103.07 107.33 1pea h GLY 30 Ca 0.29 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 1pea h GLY 30 CO -0.05 0.05 -0.28 0.00 0.00 0.00 0.00 176.54 176.26 1pea h ALA 31 N 1.74 0.14 -0.93 3.60 0.00 -0.65 -2.58 119.26 120.58 1pea h ALA 31 Ca 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1pea h ALA 31 Cb 0.38 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1pea h ALA 31 CO 0.03 0.16 0.61 -0.07 0.00 0.00 0.00 179.25 179.98 1pea h LEU 32 N -0.14 1.02 -1.07 0.00 3.38 -0.45 -1.96 115.31 116.09 1pea h LEU 32 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1pea h LEU 32 Cb 0.91 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1pea h LEU 32 CO 0.06 0.71 0.15 0.25 0.09 0.00 0.00 178.44 179.70 1pea h LEU 33 N 1.19 0.75 -0.67 1.67 6.46 -1.06 0.21 115.31 123.87 1pea h LEU 33 Ca 0.37 -0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.90 1pea h LEU 33 Cb -0.03 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 1pea h LEU 33 CO -0.11 0.73 -0.09 0.00 -0.62 0.00 0.00 178.44 178.35 1pea h ALA 34 N 1.38 0.87 -0.01 1.25 0.00 -0.95 -2.17 119.26 119.63 1pea h ALA 34 Ca 0.18 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1pea h ALA 34 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1pea h ALA 34 CO -0.01 0.65 -0.71 0.28 0.00 0.00 0.00 179.25 179.46 1pea h VAL 35 N 0.85 1.49 0.21 0.00 2.07 -0.93 -1.62 116.25 118.32 1pea h VAL 35 Ca 0.14 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 1pea h VAL 35 Cb 0.62 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1pea h VAL 35 CO 0.04 0.69 -0.14 -0.08 0.02 0.00 0.00 177.57 178.10 1pea h GLU 36 N 0.03 -0.32 -0.96 1.57 4.57 -0.25 -0.49 114.58 118.72 1pea h GLU 36 Ca -0.01 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.32 1pea h GLU 36 Cb 1.26 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 29.83 1pea h GLU 36 CO 0.10 -0.21 0.59 1.96 -1.18 0.00 0.00 179.01 180.26 1pea h GLN 37 N -0.33 0.88 -0.18 1.92 4.20 -1.45 0.27 115.11 120.42 1pea h GLN 37 Ca -0.03 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1pea h GLN 37 Cb 0.27 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1pea h GLN 37 CO 0.02 0.58 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.63 1pea h LEU 38 N 0.90 0.25 0.02 1.46 3.38 -1.20 -2.89 115.31 117.23 1pea h LEU 38 Ca 0.49 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.38 1pea h LEU 38 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1pea h LEU 38 CO -0.29 0.35 -0.19 0.78 0.09 0.00 0.00 178.44 179.19 1pea h ASN 39 N 0.26 0.13 -0.12 -0.43 2.35 0.83 -2.15 115.58 116.45 1pea h ASN 39 Ca 0.06 -0.90 -0.67 0.00 -0.55 0.00 0.00 56.30 54.24 1pea h ASN 39 Cb 0.28 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.62 1pea h ASN 39 CO 0.01 1.01 3.65 0.54 -1.65 0.00 0.00 177.43 180.99 1pea n ARG 40 N -4.53 3.78 -0.10 0.81 5.12 0.72 -0.40 116.66 122.05 1pea n ARG 40 Ca -0.10 -2.31 0.00 0.00 -1.93 0.00 0.00 57.85 53.50 1pea n ARG 40 Cb 0.52 -2.77 0.00 0.00 -1.16 0.00 0.00 32.46 29.05 1pea n ARG 40 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1pea n GLU 41 N 3.36 0.00 -0.11 5.56 1.02 -1.18 -4.81 120.64 124.48 1pea n GLU 41 Ca 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1pea n GLU 41 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1pea n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pea n GLY 42 N 0.00 0.60 6.37 0.62 0.00 0.44 -4.89 105.19 108.33 1pea n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pea n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pea n GLY 43 N -2.01 1.06 2.93 -0.02 0.00 0.47 -2.85 105.19 104.77 1pea n GLY 43 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 1pea n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pea s VAL 44 N 0.00 -0.65 0.00 1.61 1.01 -0.82 -4.53 120.40 117.02 1pea s VAL 44 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1pea s VAL 44 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1pea s VAL 44 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1pea n GLY 45 N 5.37 0.38 3.82 4.51 0.00 -1.26 -3.04 105.19 114.96 1pea n GLY 45 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1pea n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pea n GLY 46 N -2.19 0.99 3.80 -0.02 0.00 -1.13 -4.96 105.19 101.68 1pea n GLY 46 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1pea n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pea s ARG 47 N -0.24 3.45 0.33 1.61 0.52 -1.17 -4.89 118.95 118.56 1pea s ARG 47 Ca 0.00 -0.23 -0.27 0.00 -0.52 0.00 0.00 55.73 54.71 1pea s ARG 47 Cb 0.00 -3.12 -0.09 0.00 0.52 0.00 0.00 34.95 32.26 1pea s ARG 47 CO 0.00 0.67 1.07 -1.25 0.02 0.00 0.00 175.30 175.81 1pea s PRO 48 N -0.74 4.45 -0.19 3.54 0.04 -1.26 -1.95 135.00 138.89 1pea s PRO 48 Ca 0.13 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.60 1pea s PRO 48 Cb -0.12 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 1pea s PRO 48 CO 0.03 0.08 0.74 0.42 0.04 0.00 0.00 177.00 178.30 1pea s ILE 49 N -1.38 4.94 -0.08 0.56 1.01 -1.26 -4.49 121.20 120.51 1pea s ILE 49 Ca 0.50 1.42 0.01 0.00 0.00 0.00 0.00 60.65 62.58 1pea s ILE 49 Cb -0.27 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1pea s ILE 49 CO 0.35 0.06 -0.10 -1.83 0.00 0.00 0.00 174.94 173.42 1pea s GLU 50 N 2.08 2.82 0.26 2.79 -1.05 0.06 -4.96 118.70 120.71 1pea s GLU 50 Ca 0.34 -0.61 0.09 0.00 -0.15 0.00 0.00 54.97 54.63 1pea s GLU 50 Cb -0.16 -2.55 -0.04 0.00 -0.44 0.00 0.00 34.13 30.94 1pea s GLU 50 CO 0.11 0.56 0.07 0.95 0.95 0.00 0.00 175.26 177.90 1pea s THR 51 N -0.54 3.80 0.06 1.83 -4.23 -1.26 -0.76 115.64 114.54 1pea s THR 51 Ca 0.08 -1.73 0.08 0.00 -1.18 0.00 0.00 61.69 58.93 1pea s THR 51 Cb -0.12 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.65 1pea s THR 51 CO 0.02 -0.36 -0.21 -0.76 -0.54 0.00 0.00 174.62 172.76 1pea s LEU 52 N -3.73 2.21 0.00 4.79 1.02 -0.10 -4.91 118.68 117.96 1pea s LEU 52 Ca 0.32 -0.58 -0.02 0.00 0.02 0.00 0.00 54.13 53.87 1pea s LEU 52 Cb -0.07 -0.97 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 1pea s LEU 52 CO 0.22 0.14 0.04 -0.44 0.02 0.00 0.00 176.35 176.32 1pea s SER 53 N -1.40 0.10 -0.11 2.29 0.01 -1.26 0.09 113.70 113.41 1pea s SER 53 Ca 0.08 -0.24 -0.13 0.00 1.31 0.00 0.00 55.95 56.97 1pea s SER 53 Cb -0.09 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.30 1pea s SER 53 CO 0.03 -0.23 0.36 -1.58 0.41 0.00 0.00 173.24 172.23 1pea s GLN 54 N -0.97 0.48 -0.42 12.44 0.74 -1.22 -5.00 119.66 125.71 1pea s GLN 54 Ca -0.11 0.36 -0.20 0.00 0.05 0.00 0.00 55.36 55.47 1pea s GLN 54 Cb -0.06 0.23 0.02 0.00 1.10 0.00 0.00 33.01 34.29 1pea s GLN 54 CO -0.00 -0.08 0.60 0.34 -0.55 0.00 0.00 175.29 175.60 1pea s ASP 55 N -0.13 6.31 0.00 6.67 2.15 -1.26 -4.16 116.67 126.26 1pea s ASP 55 Ca -0.03 -0.32 0.27 0.00 0.43 0.00 0.00 52.55 52.90 1pea s ASP 55 Cb -0.03 -2.30 0.84 0.00 -0.30 0.00 0.00 42.92 41.13 1pea s ASP 55 CO 0.01 -0.71 1.62 -2.65 -0.17 0.00 0.00 175.17 173.27 1pea n PRO 56 N 6.10 1.09 -2.31 4.34 -0.02 -1.26 -4.92 135.00 138.03 1pea n PRO 56 Ca -0.03 -0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 60.64 1pea n PRO 56 Cb 0.48 -1.49 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 1pea n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pea n GLY 57 N 1.29 -0.23 2.29 -1.23 0.00 -1.26 -2.22 105.19 103.83 1pea n GLY 57 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1pea n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pea n GLY 58 N -0.86 0.36 3.39 -0.02 0.00 -1.25 -4.39 105.19 102.40 1pea n GLY 58 Ca -0.21 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1pea n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pea s ASP 59 N -2.56 4.51 0.54 1.61 -1.08 -0.94 -4.93 116.67 113.81 1pea s ASP 59 Ca 0.00 -0.29 0.23 0.00 -0.52 0.00 0.00 52.55 51.97 1pea s ASP 59 Cb 0.00 -1.76 1.41 0.00 -1.46 0.00 0.00 42.92 41.12 1pea s ASP 59 CO 0.00 0.05 2.07 1.55 0.52 0.00 0.00 175.17 179.36 1pea h PRO 60 N 7.58 0.00 0.00 4.34 0.13 -1.89 -1.45 132.00 140.70 1pea h PRO 60 Ca -0.36 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 1pea h PRO 60 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1pea h PRO 60 CO 0.60 0.00 -0.77 -0.44 -0.23 0.00 0.00 178.00 177.16 1pea h ASP 61 N 0.00 0.00 1.30 1.44 3.32 -1.94 -2.66 116.42 117.87 1pea h ASP 61 Ca 0.13 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1pea h ASP 61 Cb 0.56 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1pea h ASP 61 CO -0.00 0.77 -0.73 0.03 -1.72 0.00 0.00 179.24 177.59 1pea h ARG 62 N 0.00 0.00 -0.24 3.56 3.08 -1.58 -2.42 114.38 116.78 1pea h ARG 62 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1pea h ARG 62 Cb 1.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.56 1pea h ARG 62 CO 0.10 0.45 -0.19 1.88 -1.07 0.00 0.00 179.97 181.14 1pea h TYR 63 N 0.00 0.64 -0.31 3.04 -1.99 -1.27 -0.62 116.97 116.46 1pea h TYR 63 Ca -0.04 -0.18 -0.02 0.00 2.00 0.00 0.00 58.73 60.49 1pea h TYR 63 Cb 1.43 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 40.01 1pea h TYR 63 CO 0.00 0.86 0.13 -0.09 -0.00 0.00 0.00 178.16 179.06 1pea h ARG 64 N 0.25 0.46 -0.14 4.88 1.12 -1.52 0.22 114.38 119.64 1pea h ARG 64 Ca 0.04 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1pea h ARG 64 Cb 0.73 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 1pea h ARG 64 CO 0.05 0.45 0.09 1.25 -3.11 0.00 0.00 179.97 178.70 1pea h LEU 65 N 0.35 0.16 -0.32 3.80 6.46 -1.45 0.11 115.31 124.43 1pea h LEU 65 Ca 0.10 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1pea h LEU 65 Cb 0.16 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1pea h LEU 65 CO -0.01 0.13 0.14 0.00 -0.62 0.00 0.00 178.44 178.09 1pea h ALA 67 N 0.99 0.37 -0.86 0.00 0.00 -0.81 0.11 119.26 119.07 1pea h ALA 67 Ca 0.11 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1pea h ALA 67 Cb 0.14 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1pea h ALA 67 CO -0.01 -0.33 0.56 0.93 0.00 0.00 0.00 179.25 180.40 1pea h GLU 68 N 0.20 0.97 -0.08 0.00 5.08 -0.54 0.18 114.58 120.39 1pea h GLU 68 Ca 0.16 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 1pea h GLU 68 Cb 0.18 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1pea h GLU 68 CO -0.21 0.64 -0.71 0.22 -1.00 0.00 0.00 179.01 177.95 1pea h ASP 69 N 1.00 0.76 -0.31 1.42 3.58 -0.42 0.17 116.42 122.62 1pea h ASP 69 Ca 0.36 -0.68 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 1pea h ASP 69 Cb 0.15 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1pea h ASP 69 CO -0.12 1.32 0.18 -0.26 -2.88 0.00 0.00 179.24 177.48 1pea h PHE 70 N 0.26 0.42 0.24 0.28 0.04 -0.28 0.37 116.94 118.27 1pea h PHE 70 Ca -0.07 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1pea h PHE 70 Cb 1.36 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1pea h PHE 70 CO 0.11 0.33 -0.12 0.82 -0.60 0.00 0.00 178.31 178.86 1pea h ILE 71 N 0.39 0.00 0.00 -0.55 2.04 -1.02 -1.16 117.51 117.20 1pea h ILE 71 Ca 0.11 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1pea h ILE 71 Cb 0.05 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1pea h ILE 71 CO -0.02 0.00 -0.12 0.03 0.00 0.00 0.00 178.15 178.04 1pea h ARG 72 N -0.78 0.00 0.00 2.37 -0.00 -0.75 -2.83 114.38 112.40 1pea h ARG 72 Ca -0.03 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.34 1pea h ARG 72 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.20 1pea h ARG 72 CO 0.05 0.12 -1.41 0.09 0.00 0.00 0.00 179.97 178.83 1pea n ASN 73 N -3.63 3.44 -0.71 7.04 3.02 0.08 -4.62 115.26 119.88 1pea n ASN 73 Ca -0.02 -0.04 0.10 0.00 -0.03 0.00 0.00 54.58 54.59 1pea n ASN 73 Cb 0.25 -0.08 0.29 0.00 -0.61 0.00 0.00 39.78 39.62 1pea n ASN 73 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pea n ARG 74 N -2.69 1.92 -3.65 3.52 5.12 -0.88 -4.93 116.66 115.07 1pea n ARG 74 Ca -0.13 -1.40 -0.27 0.00 -1.93 0.00 0.00 57.85 54.13 1pea n ARG 74 Cb 0.64 -1.39 0.03 0.00 -1.16 0.00 0.00 32.46 30.57 1pea n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pea n GLY 75 N 1.20 -0.50 3.72 -0.13 0.00 -1.06 -4.94 105.19 103.48 1pea n GLY 75 Ca 0.16 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 1pea n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pea s VAL 76 N -3.21 4.94 -0.03 1.61 1.01 -0.49 -4.92 120.40 119.31 1pea s VAL 76 Ca 0.56 1.62 0.01 0.00 0.00 0.00 0.00 61.98 64.17 1pea s VAL 76 Cb -0.28 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1pea s VAL 76 CO 0.69 0.26 0.06 0.54 0.00 0.00 0.00 175.10 176.65 1pea n ARG 77 N 3.59 6.21 -5.08 2.72 5.12 -1.26 -4.22 116.66 123.73 1pea n ARG 77 Ca 0.00 -0.04 -0.31 0.00 -1.93 0.00 0.00 57.85 55.57 1pea n ARG 77 Cb 0.51 -0.57 -0.17 0.00 -1.16 0.00 0.00 32.46 31.08 1pea n ARG 77 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1pea s PHE 78 N -0.98 2.37 0.03 -1.55 0.40 -1.26 -0.27 117.98 116.73 1pea s PHE 78 Ca 0.00 -0.98 0.01 0.00 -0.60 0.00 0.00 56.93 55.36 1pea s PHE 78 Cb 0.00 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 1pea s PHE 78 CO 0.02 -0.41 -0.05 -0.51 0.70 0.00 0.00 175.22 174.98 1pea s LEU 79 N 0.43 2.24 -0.07 -0.37 1.02 -0.09 -0.41 118.68 121.42 1pea s LEU 79 Ca -0.17 -0.50 0.05 0.00 0.02 0.00 0.00 54.13 53.52 1pea s LEU 79 Cb -0.17 -0.01 -0.00 0.00 0.02 0.00 0.00 46.19 46.03 1pea s LEU 79 CO 0.07 -0.25 -0.22 -0.69 0.02 0.00 0.00 176.35 175.29 1pea s VAL 80 N -1.37 1.81 0.00 -1.59 1.01 -0.21 -0.78 120.40 119.28 1pea s VAL 80 Ca -0.13 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1pea s VAL 80 Cb -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1pea s VAL 80 CO -0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1pea n GLY 81 N 3.27 -0.04 0.00 4.51 0.00 -0.95 -1.08 105.19 110.90 1pea n GLY 81 Ca -0.19 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1pea n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pea n TYR 83 N -0.96 -0.30 -1.93 0.00 9.36 -1.26 -4.55 117.16 117.52 1pea n TYR 83 Ca 0.00 0.05 -0.42 0.00 3.32 0.00 0.00 57.90 60.86 1pea n TYR 83 Cb 0.00 0.19 -0.03 0.00 -0.63 0.00 0.00 39.34 38.88 1pea n TYR 83 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1pea s MET 84 N -1.31 4.22 0.31 2.98 -1.94 -1.26 -4.88 119.30 117.40 1pea s MET 84 Ca 0.00 2.38 0.07 0.00 -1.71 0.00 0.00 55.69 56.43 1pea s MET 84 Cb 0.00 -3.12 0.79 0.00 2.01 0.00 0.00 34.83 34.51 1pea s MET 84 CO 0.00 -0.56 1.75 0.77 -0.01 0.00 0.00 175.02 176.98 1pea h SER 85 N 5.96 0.71 0.02 3.03 0.02 -1.97 -1.65 113.55 119.67 1pea h SER 85 Ca -0.44 0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 1pea h SER 85 Cb 1.21 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1pea h SER 85 CO 0.86 0.19 -0.25 1.12 -1.14 0.00 0.00 176.83 177.61 1pea h HIS 86 N 0.67 0.42 -0.25 3.45 2.07 -1.98 -1.10 115.15 118.43 1pea h HIS 86 Ca 0.60 -0.08 -0.17 0.00 -2.85 0.00 0.00 60.37 57.87 1pea h HIS 86 Cb 1.03 -0.11 -0.00 0.00 2.57 0.00 0.00 27.41 30.90 1pea h HIS 86 CO -0.02 0.60 -0.51 1.79 -3.07 0.00 0.00 177.93 176.72 1pea h THR 87 N 0.34 1.30 -0.49 6.12 1.35 -1.66 -1.38 112.91 118.49 1pea h THR 87 Ca 0.05 -1.72 -0.01 0.00 -0.55 0.00 0.00 66.41 64.18 1pea h THR 87 Cb 0.62 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 1pea h THR 87 CO 0.04 0.55 0.26 -0.09 -0.25 0.00 0.00 175.52 176.04 1pea h ARG 88 N 0.55 0.68 0.00 4.72 2.43 -1.10 -2.13 114.38 119.52 1pea h ARG 88 Ca 0.02 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1pea h ARG 88 Cb 1.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1pea h ARG 88 CO 0.11 0.54 -0.21 0.87 -1.51 0.00 0.00 179.97 179.77 1pea h LYS 89 N 0.64 0.00 -0.23 0.20 1.57 -1.11 -0.90 116.57 116.74 1pea h LYS 89 Ca 0.17 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 1pea h LYS 89 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1pea h LYS 89 CO -0.03 0.21 -0.49 0.00 -0.57 0.00 0.00 179.45 178.57 1pea h ALA 90 N 1.79 0.71 0.06 3.86 0.00 -0.60 -3.29 119.26 121.79 1pea h ALA 90 Ca -0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1pea h ALA 90 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pea h ALA 90 CO 0.03 0.67 -1.16 0.28 0.00 0.00 0.00 179.25 179.07 1pea h VAL 91 N 0.50 1.56 -0.76 0.00 2.07 -1.14 -3.39 116.25 115.10 1pea h VAL 91 Ca 0.02 -3.22 0.17 0.00 0.82 0.00 0.00 66.70 64.50 1pea h VAL 91 Cb 1.03 2.86 -0.12 0.00 -1.52 0.00 0.00 31.29 33.54 1pea h VAL 91 CO 0.10 0.92 0.13 -0.03 0.02 0.00 0.00 177.57 178.70 1pea h MET 92 N 0.03 0.20 -0.57 1.57 -1.53 -1.23 0.74 114.93 114.13 1pea h MET 92 Ca -0.08 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.13 1pea h MET 92 Cb 1.87 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 32.85 1pea h MET 92 CO 0.16 0.13 0.23 -1.35 0.14 0.00 0.00 176.91 176.22 1pea h PRO 93 N 0.21 0.83 0.59 0.39 0.11 -1.75 -0.62 132.00 131.76 1pea h PRO 93 Ca 0.43 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 1pea h PRO 93 Cb 0.76 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.73 1pea h PRO 93 CO -0.57 0.68 -0.28 0.28 -0.21 0.00 0.00 178.00 177.89 1pea h VAL 94 N 0.82 0.39 -0.88 3.15 2.07 -1.12 -1.45 116.25 119.23 1pea h VAL 94 Ca 0.20 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1pea h VAL 94 Cb 0.16 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1pea h VAL 94 CO -0.02 0.02 0.49 -0.37 0.02 0.00 0.00 177.57 177.71 1pea h VAL 95 N -0.87 1.25 -0.68 2.57 -1.51 -1.12 -1.77 116.25 114.12 1pea h VAL 95 Ca -0.08 -0.62 -0.07 0.00 -1.23 0.00 0.00 66.70 64.69 1pea h VAL 95 Cb 0.64 0.06 -0.03 0.00 -2.13 0.00 0.00 31.29 29.83 1pea h VAL 95 CO 0.13 0.28 0.13 -0.33 -1.23 0.00 0.00 177.57 176.56 1pea h GLU 96 N 1.23 1.11 0.06 5.19 5.08 -1.04 -1.18 114.58 125.03 1pea h GLU 96 Ca 0.31 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1pea h GLU 96 Cb 0.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1pea h GLU 96 CO -0.05 1.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.93 1pea h ARG 97 N 1.04 -0.07 0.00 2.33 3.08 -0.98 -2.70 114.38 117.08 1pea h ARG 97 Ca 0.21 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1pea h ARG 97 Cb 0.42 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1pea h ARG 97 CO 0.01 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 1pea n ALA 98 N -2.19 2.19 -1.84 0.04 0.00 -0.69 -4.85 120.51 113.18 1pea n ALA 98 Ca -0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 1pea n ALA 98 Cb 0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 1pea n ALA 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pea n ASP 99 N -0.86 -4.42 -4.39 0.00 8.00 -0.53 -4.95 116.55 109.40 1pea n ASP 99 Ca 0.10 0.28 -0.26 0.00 0.71 0.00 0.00 54.79 55.63 1pea n ASP 99 Cb 0.05 -3.90 0.15 0.00 -0.02 0.00 0.00 41.12 37.40 1pea n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pea s ALA 100 N -2.53 3.18 -0.02 2.24 0.00 -0.70 -4.93 121.76 119.00 1pea s ALA 100 Ca 0.00 -1.68 0.05 0.00 0.00 0.00 0.00 51.96 50.33 1pea s ALA 100 Cb 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 1pea s ALA 100 CO 0.00 -1.94 -0.16 -0.51 0.00 0.00 0.00 175.76 173.14 1pea s LEU 101 N -5.46 1.99 -0.04 0.00 1.43 0.63 -4.70 118.68 112.53 1pea s LEU 101 Ca 0.71 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 1pea s LEU 101 Cb -0.03 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.32 1pea s LEU 101 CO 0.48 0.18 -0.15 -0.22 0.23 0.00 0.00 176.35 176.88 1pea s LEU 102 N -0.25 1.85 -0.23 1.79 2.96 -0.49 -0.91 118.68 123.40 1pea s LEU 102 Ca 0.03 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.55 1pea s LEU 102 Cb -0.08 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 1pea s LEU 102 CO 0.00 0.11 0.12 0.00 -1.32 0.00 0.00 176.35 175.26 1pea s TYR 104 N 1.08 3.40 -0.30 0.00 5.04 0.13 -2.24 117.35 124.46 1pea s TYR 104 Ca 0.06 -1.75 -0.04 0.00 -2.44 0.00 0.00 57.07 52.89 1pea s TYR 104 Cb -0.14 -3.40 -0.04 0.00 0.35 0.00 0.00 41.96 38.73 1pea s TYR 104 CO 0.04 -0.96 3.03 -0.35 -1.34 0.00 0.00 175.55 175.97 1pea n PRO 105 N 4.94 2.24 -3.83 4.97 -0.04 -1.26 0.27 135.00 142.28 1pea n PRO 105 Ca -0.09 -1.86 -0.12 0.00 -0.04 0.00 0.00 63.50 61.39 1pea n PRO 105 Cb 0.41 -2.07 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 1pea n PRO 105 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1pea s THR 106 N -1.16 0.08 0.40 0.52 2.01 -1.26 -4.57 115.64 111.66 1pea s THR 106 Ca 0.60 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.70 1pea s THR 106 Cb 0.36 -0.59 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 1pea s THR 106 CO -0.14 -0.37 1.07 -2.16 -0.69 0.00 0.00 174.62 172.33 1pea s PRO 107 N -1.63 4.12 0.29 4.92 0.04 -1.26 -3.09 135.00 138.39 1pea s PRO 107 Ca -0.12 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 1pea s PRO 107 Cb -0.05 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1pea s PRO 107 CO 0.01 -0.19 0.62 1.52 0.04 0.00 0.00 177.00 179.00 1pea s TYR 108 N -1.63 0.16 -0.02 0.56 1.13 -0.88 -4.92 117.35 111.75 1pea s TYR 108 Ca 0.58 -0.60 0.28 0.00 -1.41 0.00 0.00 57.07 55.93 1pea s TYR 108 Cb -0.23 0.47 1.46 0.00 -1.10 0.00 0.00 41.96 42.56 1pea s TYR 108 CO 0.29 -1.19 1.86 1.05 -2.51 0.00 0.00 175.55 175.05 1pea h GLU 109 N 2.10 0.00 0.00 -3.49 9.09 -1.86 -3.32 114.58 117.10 1pea h GLU 109 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1pea h GLU 109 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1pea h GLU 109 CO 0.31 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.78 1pea n GLY 110 N -0.96 -1.75 3.88 1.06 0.00 -1.26 -4.58 105.19 101.58 1pea n GLY 110 Ca -0.01 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1pea n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pea n PHE 111 N 0.00 -2.37 -3.77 1.61 3.72 -0.51 -4.96 117.46 111.18 1pea n PHE 111 Ca 0.00 0.92 -0.13 0.00 -0.05 0.00 0.00 57.45 58.19 1pea n PHE 111 Cb 0.00 -4.09 -0.10 0.00 -0.94 0.00 0.00 39.48 34.35 1pea n PHE 111 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1pea s GLU 112 N -6.59 0.47 -0.03 -1.08 2.12 -1.26 -5.05 118.70 107.27 1pea s GLU 112 Ca 0.65 0.21 -0.03 0.00 0.36 0.00 0.00 54.97 56.17 1pea s GLU 112 Cb -0.32 0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.29 1pea s GLU 112 CO 0.82 -0.09 0.08 -0.47 -0.54 0.00 0.00 175.26 175.06 1pea s TYR 113 N -0.36 -0.07 -0.19 5.30 5.04 -1.26 -5.00 117.35 120.82 1pea s TYR 113 Ca -0.05 0.17 -0.14 0.00 -2.44 0.00 0.00 57.07 54.60 1pea s TYR 113 Cb -0.03 0.02 0.05 0.00 0.35 0.00 0.00 41.96 42.35 1pea s TYR 113 CO 0.02 -0.06 0.48 0.45 -1.34 0.00 0.00 175.55 175.09 1pea s SER 114 N -0.10 -0.54 0.26 4.32 0.15 -1.26 -5.03 113.70 111.49 1pea s SER 114 Ca -0.02 0.99 0.25 0.00 0.70 0.00 0.00 55.95 57.88 1pea s SER 114 Cb -0.01 0.95 0.94 0.00 -1.71 0.00 0.00 66.02 66.19 1pea s SER 114 CO 0.00 -0.18 1.74 -0.65 1.20 0.00 0.00 173.24 175.35 1pea h PRO 115 N 6.02 0.00 -0.49 5.44 0.11 -2.00 -3.21 132.00 137.88 1pea h PRO 115 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1pea h PRO 115 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pea h PRO 115 CO 0.23 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.11 1pea n ASN 116 N -2.30 4.20 -3.87 -2.05 4.13 -1.26 -4.91 115.26 109.19 1pea n ASN 116 Ca 0.03 -2.51 -0.20 0.00 1.68 0.00 0.00 54.58 53.58 1pea n ASN 116 Cb 0.30 -0.50 -0.16 0.00 -1.54 0.00 0.00 39.78 37.87 1pea n ASN 116 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pea s ILE 117 N -1.93 0.49 -0.32 2.41 1.01 -1.21 -1.39 121.20 120.25 1pea s ILE 117 Ca 0.43 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.90 1pea s ILE 117 Cb 0.29 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 1pea s ILE 117 CO 0.19 0.22 0.18 -0.69 0.00 0.00 0.00 174.94 174.84 1pea s VAL 118 N 1.04 4.74 -0.39 2.92 1.01 0.81 -4.74 120.40 125.79 1pea s VAL 118 Ca -0.09 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 1pea s VAL 118 Cb -0.14 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1pea s VAL 118 CO -0.01 0.02 0.76 -0.31 0.00 0.00 0.00 175.10 175.56 1pea s TYR 119 N 1.63 3.07 -2.59 5.22 1.51 -0.05 0.20 117.35 126.35 1pea s TYR 119 Ca 0.05 0.37 0.21 0.00 -1.01 0.00 0.00 57.07 56.69 1pea s TYR 119 Cb -0.17 -3.45 0.20 0.00 -0.11 0.00 0.00 41.96 38.42 1pea s TYR 119 CO 0.07 -0.81 1.20 0.41 -1.11 0.00 0.00 175.55 175.31 1pea n GLY 120 N 4.72 0.85 3.69 0.71 0.00 0.14 -2.66 105.19 112.65 1pea n GLY 120 Ca 0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1pea n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pea s GLY 121 N -1.71 2.12 0.22 -0.02 0.00 -1.18 -4.64 107.32 102.11 1pea s GLY 121 Ca 0.26 -1.97 -0.30 0.00 0.00 0.00 0.00 44.72 42.71 1pea s GLY 121 CO 0.27 -1.87 1.40 2.56 0.00 0.00 0.00 173.10 175.46 1pea s PRO 122 N -3.81 4.31 0.76 2.90 0.04 -1.26 -4.70 135.00 133.25 1pea s PRO 122 Ca 0.37 2.21 -0.10 0.00 0.04 0.00 0.00 61.00 63.52 1pea s PRO 122 Cb 0.01 -3.14 0.07 0.00 0.04 0.00 0.00 34.50 31.47 1pea s PRO 122 CO 0.21 -0.37 1.12 0.00 0.04 0.00 0.00 177.00 178.00 1pea s ALA 123 N 0.12 2.84 0.37 8.56 0.00 -1.26 -2.06 121.76 130.32 1pea s ALA 123 Ca 0.59 -0.71 0.17 0.00 0.00 0.00 0.00 51.96 52.01 1pea s ALA 123 Cb -0.40 -2.85 1.08 0.00 0.00 0.00 0.00 23.12 20.96 1pea s ALA 123 CO 0.41 -1.50 1.71 -1.35 0.00 0.00 0.00 175.76 175.03 1pea h PRO 124 N -0.86 0.38 0.00 0.00 0.11 -1.81 -0.94 132.00 128.87 1pea h PRO 124 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pea h PRO 124 Cb 1.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pea h PRO 124 CO 0.64 0.25 0.00 0.27 -0.21 0.00 0.00 178.00 178.95 1pea n ASN 125 N -4.81 0.02 -0.00 -2.05 6.94 -1.26 -0.33 115.26 113.76 1pea n ASN 125 Ca 0.29 0.51 0.07 0.00 -0.02 0.00 0.00 54.58 55.43 1pea n ASN 125 Cb 0.94 -0.51 -0.10 0.00 -2.36 0.00 0.00 39.78 37.75 1pea n ASN 125 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pea n GLN 126 N -1.52 1.23 0.04 -3.83 6.02 -0.36 -4.50 117.38 114.47 1pea n GLN 126 Ca 0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1pea n GLN 126 Cb 0.14 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1pea n GLN 126 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1pea n ASN 127 N -1.72 0.19 -0.15 1.08 0.23 -1.16 -4.71 115.26 109.02 1pea n ASN 127 Ca -0.00 0.14 -0.09 0.00 -0.53 0.00 0.00 54.58 54.10 1pea n ASN 127 Cb 0.32 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 1pea n ASN 127 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1pea h SER 128 N 0.00 0.60 0.14 0.53 0.02 -0.94 -2.27 113.55 111.62 1pea h SER 128 Ca 0.00 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1pea h SER 128 Cb 0.28 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1pea h SER 128 CO 0.00 0.59 -0.11 0.00 -1.14 0.00 0.00 176.83 176.17 1pea h ALA 129 N 1.03 -0.24 -0.70 3.77 0.00 -1.33 -1.46 119.26 120.32 1pea h ALA 129 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1pea h ALA 129 Cb 0.17 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1pea h ALA 129 CO -0.01 -0.64 0.35 -1.35 0.00 0.00 0.00 179.25 177.60 1pea h PRO 130 N -0.26 1.01 -0.24 0.00 0.11 -1.80 -3.21 132.00 127.61 1pea h PRO 130 Ca -0.01 -0.14 0.02 0.00 0.11 0.00 0.00 66.00 65.98 1pea h PRO 130 Cb 0.23 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1pea h PRO 130 CO -0.01 0.78 0.11 1.25 -0.21 0.00 0.00 178.00 179.93 1pea h LEU 131 N 0.98 0.17 -0.58 2.35 5.85 -1.18 -2.12 115.31 120.78 1pea h LEU 131 Ca 0.24 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1pea h LEU 131 Cb 0.09 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1pea h LEU 131 CO -0.03 0.13 0.26 0.00 -0.34 0.00 0.00 178.44 178.46 1pea h ALA 132 N 1.12 0.75 -0.42 1.25 0.00 -1.31 0.35 119.26 121.00 1pea h ALA 132 Ca 0.10 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1pea h ALA 132 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1pea h ALA 132 CO -0.07 -0.11 0.03 0.00 0.00 0.00 0.00 179.25 179.10 1pea h ALA 133 N 1.35 1.27 0.03 0.00 0.00 -1.51 -1.34 119.26 119.05 1pea h ALA 133 Ca 0.27 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 1pea h ALA 133 Cb 0.25 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pea h ALA 133 CO -0.23 0.50 -1.07 -0.92 0.00 0.00 0.00 179.25 177.53 1pea h TYR 134 N 0.63 0.94 -0.32 0.00 5.03 -0.70 -2.02 116.97 120.53 1pea h TYR 134 Ca 0.13 -0.53 -0.05 0.00 2.58 0.00 0.00 58.73 60.86 1pea h TYR 134 Cb 0.35 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1pea h TYR 134 CO 0.02 1.37 0.01 -0.07 -1.32 0.00 0.00 178.16 178.16 1pea h LEU 135 N 0.33 0.54 0.23 2.82 3.38 0.03 -3.11 115.31 119.53 1pea h LEU 135 Ca -0.13 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1pea h LEU 135 Cb 1.72 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1pea h LEU 135 CO 0.20 0.71 -0.11 0.40 0.09 0.00 0.00 178.44 179.73 1pea h ILE 136 N 0.36 0.81 -0.47 1.22 2.04 -1.32 0.41 117.51 120.56 1pea h ILE 136 Ca 0.09 -0.78 -0.35 0.00 1.00 0.00 0.00 64.86 64.82 1pea h ILE 136 Cb 0.42 1.22 -0.11 0.00 -0.74 0.00 0.00 36.82 37.61 1pea h ILE 136 CO 0.01 0.16 0.19 0.54 0.00 0.00 0.00 178.15 179.05 1pea n ARG 137 N -5.05 2.32 0.00 2.37 1.74 -0.76 -2.65 116.66 114.62 1pea n ARG 137 Ca -0.09 -1.67 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 1pea n ARG 137 Cb 0.26 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 1pea n ARG 137 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1pea n HIS 138 N 1.86 0.00 0.00 -1.55 8.25 -1.18 -4.83 115.22 117.77 1pea n HIS 138 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 1pea n HIS 138 Cb 0.72 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 1pea n HIS 138 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1pea n TYR 139 N 0.00 0.00 -1.46 4.41 4.01 0.14 -5.04 117.16 119.23 1pea n TYR 139 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1pea n TYR 139 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1pea n TYR 139 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pea n GLY 140 N 2.75 -1.85 0.08 2.72 0.00 -0.99 -4.92 105.19 102.98 1pea n GLY 140 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.68 1pea n GLY 140 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pea n GLU 141 N -0.66 3.59 -3.32 1.61 0.28 -1.26 -3.74 120.64 117.15 1pea n GLU 141 Ca 0.00 -0.25 -0.39 0.00 -0.16 0.00 0.00 57.16 56.36 1pea n GLU 141 Cb 0.00 -0.88 -0.08 0.00 1.43 0.00 0.00 31.44 31.91 1pea n GLU 141 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1pea s ARG 142 N -1.28 4.13 0.05 3.44 0.52 -1.26 0.22 118.95 124.77 1pea s ARG 142 Ca 0.04 0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 1pea s ARG 142 Cb 0.05 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 1pea s ARG 142 CO 0.20 -0.17 -0.10 0.54 0.02 0.00 0.00 175.30 175.79 1pea s VAL 143 N 1.72 0.78 -0.07 3.52 0.11 -0.74 0.06 120.40 125.78 1pea s VAL 143 Ca 0.20 -1.11 0.05 0.00 -2.93 0.00 0.00 61.98 58.19 1pea s VAL 143 Cb -0.15 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1pea s VAL 143 CO 0.09 -0.27 -0.24 0.54 -3.33 0.00 0.00 175.10 171.89 1pea s VAL 144 N -1.24 2.17 -0.07 2.04 0.11 -0.81 -0.78 120.40 121.83 1pea s VAL 144 Ca -0.06 -1.02 -0.12 0.00 -2.93 0.00 0.00 61.98 57.86 1pea s VAL 144 Cb -0.09 -1.80 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1pea s VAL 144 CO 0.01 0.57 0.29 -0.36 -3.33 0.00 0.00 175.10 172.28 1pea s PHE 145 N -0.07 3.64 -0.04 1.54 0.08 0.73 -0.97 117.98 122.89 1pea s PHE 145 Ca -0.06 0.77 -0.01 0.00 0.12 0.00 0.00 56.93 57.75 1pea s PHE 145 Cb -0.15 -2.17 0.03 0.00 -0.57 0.00 0.00 43.02 40.16 1pea s PHE 145 CO 0.05 0.62 0.04 -1.50 -0.10 0.00 0.00 175.22 174.32 1pea s ILE 146 N -0.83 -0.01 0.15 0.64 1.10 -0.75 -0.45 121.20 121.05 1pea s ILE 146 Ca 0.20 0.28 0.00 0.00 -0.51 0.00 0.00 60.65 60.62 1pea s ILE 146 Cb -0.14 -0.18 -0.04 0.00 0.15 0.00 0.00 42.46 42.24 1pea s ILE 146 CO 0.09 0.15 0.03 -0.83 -2.11 0.00 0.00 174.94 172.27 1pea s GLY 147 N 1.64 1.07 0.69 1.50 0.00 -0.32 -0.45 107.32 111.45 1pea s GLY 147 Ca -0.02 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 43.08 1pea s GLY 147 CO -0.03 -1.43 1.06 -0.56 0.00 0.00 0.00 173.10 172.14 1pea s SER 148 N -3.09 5.47 -1.27 1.64 0.01 -0.82 -1.43 113.70 114.21 1pea s SER 148 Ca 0.24 1.49 -0.13 0.00 1.31 0.00 0.00 55.95 58.85 1pea s SER 148 Cb 0.07 -2.38 0.14 0.00 0.21 0.00 0.00 66.02 64.06 1pea s SER 148 CO 0.02 -1.37 1.67 -0.67 0.41 0.00 0.00 173.24 173.31 1pea n ASP 149 N -3.07 5.02 -2.80 2.44 2.03 0.19 -4.52 116.55 115.85 1pea n ASP 149 Ca 0.07 -2.99 -0.11 0.00 0.52 0.00 0.00 54.79 52.28 1pea n ASP 149 Cb 0.54 -1.59 0.01 0.00 -0.72 0.00 0.00 41.12 39.36 1pea n ASP 149 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pea n TYR 150 N 5.76 -1.97 -0.17 -0.67 4.11 -1.26 -4.79 117.16 118.16 1pea n TYR 150 Ca 0.41 -1.98 0.03 0.00 -0.00 0.00 0.00 57.90 56.36 1pea n TYR 150 Cb 0.41 0.75 0.31 0.00 -0.00 0.00 0.00 39.34 40.81 1pea n TYR 150 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.86 177.83 1pea h ILE 151 N 1.96 1.13 0.53 -3.48 2.10 -1.98 -3.12 117.51 114.65 1pea h ILE 151 Ca -0.30 -0.30 -0.03 0.00 1.08 0.00 0.00 64.86 65.32 1pea h ILE 151 Cb 1.18 0.19 0.01 0.00 -1.09 0.00 0.00 36.82 37.10 1pea h ILE 151 CO 0.39 0.16 -0.25 0.22 -1.08 0.00 0.00 178.15 177.58 1pea h TYR 152 N 0.87 -0.66 -0.55 2.19 3.20 -1.95 -1.81 116.97 118.26 1pea h TYR 152 Ca 0.26 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.16 1pea h TYR 152 Cb -0.01 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1pea h TYR 152 CO -0.00 -0.40 0.31 -1.35 -1.64 0.00 0.00 178.16 175.08 1pea h PRO 153 N -0.72 0.58 0.07 1.82 0.11 -1.79 0.08 132.00 132.15 1pea h PRO 153 Ca -0.07 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.01 1pea h PRO 153 Cb 0.55 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1pea h PRO 153 CO 0.12 0.38 -0.12 0.00 -0.21 0.00 0.00 178.00 178.18 1pea h ARG 154 N 0.59 -0.22 -0.24 1.05 3.08 -1.58 0.29 114.38 117.35 1pea h ARG 154 Ca 0.23 0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.19 1pea h ARG 154 Cb 0.09 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1pea h ARG 154 CO -0.13 -0.15 -0.32 0.93 -1.07 0.00 0.00 179.97 179.23 1pea h GLU 155 N -0.23 0.50 -0.39 0.04 4.39 -1.26 -1.89 114.58 115.74 1pea h GLU 155 Ca 0.02 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 1pea h GLU 155 Cb 0.25 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1pea h GLU 155 CO -0.07 0.76 -0.02 0.77 -1.16 0.00 0.00 179.01 179.29 1pea h SER 156 N 0.43 0.70 0.91 1.42 0.02 -0.60 -2.56 113.55 113.87 1pea h SER 156 Ca 0.05 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 1pea h SER 156 Cb 0.77 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1pea h SER 156 CO 0.06 0.85 -0.25 0.78 -1.14 0.00 0.00 176.83 177.13 1pea h ASN 157 N 0.52 0.00 0.31 3.07 2.35 -0.37 -1.10 115.58 120.37 1pea h ASN 157 Ca 0.11 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1pea h ASN 157 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1pea h ASN 157 CO 0.02 0.25 -0.15 -0.74 -1.65 0.00 0.00 177.43 175.17 1pea h HIS 158 N 0.00 -0.38 -0.10 1.19 -0.00 -0.95 -1.03 115.15 113.87 1pea h HIS 158 Ca -0.00 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 1pea h HIS 158 Cb 0.77 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 1pea h HIS 158 CO 0.00 -0.20 -0.38 0.28 -0.00 0.00 0.00 177.93 177.63 1pea h VAL 159 N -0.47 1.29 0.00 5.26 2.07 -1.31 -2.03 116.25 121.07 1pea h VAL 159 Ca -0.04 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1pea h VAL 159 Cb 0.35 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1pea h VAL 159 CO 0.07 0.42 0.00 -0.03 0.02 0.00 0.00 177.57 178.05 1pea h MET 160 N 0.18 0.00 0.46 1.57 -1.53 -1.07 -1.70 114.93 112.84 1pea h MET 160 Ca 0.02 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.26 1pea h MET 160 Cb 0.75 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.81 1pea h MET 160 CO 0.06 0.00 -0.22 -0.09 0.14 0.00 0.00 176.91 176.80 1pea h ARG 161 N 0.00 -0.59 -0.64 0.39 2.43 -0.45 -1.69 114.38 113.82 1pea h ARG 161 Ca 0.00 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 1pea h ARG 161 Cb 0.64 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.25 1pea h ARG 161 CO 0.00 -0.29 0.23 0.45 -1.51 0.00 0.00 179.97 178.85 1pea h HIS 162 N -0.98 0.39 -0.52 2.20 3.86 -1.15 -2.00 115.15 116.95 1pea h HIS 162 Ca -0.06 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 1pea h HIS 162 Cb 0.58 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1pea h HIS 162 CO 0.02 0.07 0.06 -0.07 0.86 0.00 0.00 177.93 178.87 1pea h LEU 163 N 0.40 0.85 -0.34 2.43 4.07 -1.35 -1.96 115.31 119.41 1pea h LEU 163 Ca 0.33 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1pea h LEU 163 Cb 0.44 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1pea h LEU 163 CO -0.34 0.91 0.09 1.88 -1.08 0.00 0.00 178.44 179.90 1pea h TYR 164 N 0.76 0.55 -0.44 1.13 -1.99 -0.60 -3.00 116.97 113.37 1pea h TYR 164 Ca 0.15 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.85 1pea h TYR 164 Cb 0.44 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 1pea h TYR 164 CO 0.03 0.56 0.24 0.00 -0.00 0.00 0.00 178.16 178.99 1pea h ARG 165 N 0.39 0.46 -0.15 4.88 2.47 -1.37 0.92 114.38 121.97 1pea h ARG 165 Ca 0.11 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1pea h ARG 165 Cb 0.27 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1pea h ARG 165 CO -0.00 0.30 0.34 0.37 0.56 0.00 0.00 179.97 181.54 1pea h GLN 166 N 0.47 0.00 -0.23 0.04 5.75 -1.22 0.19 115.11 120.11 1pea h GLN 166 Ca 0.19 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.58 1pea h GLN 166 Cb 0.07 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.56 1pea h GLN 166 CO -0.12 0.00 -0.19 0.72 -2.65 0.00 0.00 178.83 176.59 1pea n HIS 167 N -3.27 0.72 -3.23 3.99 8.25 -0.53 -4.97 115.22 116.18 1pea n HIS 167 Ca 0.01 -1.50 -0.20 0.00 -0.26 0.00 0.00 57.72 55.78 1pea n HIS 167 Cb 0.44 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 1pea n HIS 167 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pea n GLY 168 N -1.10 -0.48 3.98 -1.41 0.00 0.68 -4.94 105.19 101.92 1pea n GLY 168 Ca 0.28 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 1pea n GLY 168 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pea s GLY 169 N -2.55 1.76 -0.09 -0.02 0.00 0.21 -4.99 107.32 101.63 1pea s GLY 169 Ca 0.32 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.48 1pea s GLY 169 CO 0.40 -0.99 -0.12 -1.59 0.00 0.00 0.00 173.10 170.80 1pea s THR 170 N -3.29 1.25 -0.50 0.90 2.01 0.13 -4.34 115.64 111.79 1pea s THR 170 Ca 0.67 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.99 1pea s THR 170 Cb -0.05 -1.17 0.06 0.00 0.01 0.00 0.00 72.50 71.35 1pea s THR 170 CO 0.46 0.39 0.59 -0.69 -0.69 0.00 0.00 174.62 174.69 1pea s VAL 171 N 1.06 4.92 0.03 3.82 1.01 -1.26 -1.80 120.40 128.18 1pea s VAL 171 Ca -0.06 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1pea s VAL 171 Cb -0.15 -4.28 -0.16 0.00 0.00 0.00 0.00 36.38 31.80 1pea s VAL 171 CO -0.01 -0.78 1.31 -0.07 0.00 0.00 0.00 175.10 175.55 1pea h LEU 172 N 9.58 0.32 -7.84 3.92 3.38 -1.35 -3.47 115.31 119.84 1pea h LEU 172 Ca -0.28 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.11 1pea h LEU 172 Cb 1.10 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.62 1pea h LEU 172 CO 0.96 0.76 -0.34 -1.61 0.09 0.00 0.00 178.44 178.29 1pea s GLU 173 N -4.23 0.92 -0.28 1.13 0.41 -1.26 -5.05 118.70 110.34 1pea s GLU 173 Ca -0.14 -0.99 -0.03 0.00 -0.41 0.00 0.00 54.97 53.40 1pea s GLU 173 Cb 0.04 0.36 0.09 0.00 -1.78 0.00 0.00 34.13 32.85 1pea s GLU 173 CO 0.74 -0.31 0.11 -2.00 -0.49 0.00 0.00 175.26 173.31 1pea s GLU 174 N -3.88 0.45 -0.05 1.61 2.12 -1.26 -0.20 118.70 117.50 1pea s GLU 174 Ca 0.07 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.68 1pea s GLU 174 Cb 0.04 -1.63 -0.03 0.00 0.26 0.00 0.00 34.13 32.77 1pea s GLU 174 CO -0.09 -0.95 -0.04 0.42 -0.54 0.00 0.00 175.26 174.06 1pea s ILE 175 N 1.87 3.94 -0.01 -3.70 1.01 0.41 -4.99 121.20 119.73 1pea s ILE 175 Ca 0.08 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.31 1pea s ILE 175 Cb -0.17 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1pea s ILE 175 CO -0.28 0.54 -0.18 -0.31 0.00 0.00 0.00 174.94 174.71 1pea s TYR 176 N -0.90 1.58 0.13 3.97 2.02 -1.26 -1.18 117.35 121.71 1pea s TYR 176 Ca 0.14 -0.31 0.08 0.00 -0.37 0.00 0.00 57.07 56.62 1pea s TYR 176 Cb -0.11 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 1pea s TYR 176 CO 0.04 -0.02 -0.20 0.96 -1.57 0.00 0.00 175.55 174.77 1pea s ILE 177 N -0.46 1.79 0.84 2.71 -4.36 -0.51 -4.91 121.20 116.29 1pea s ILE 177 Ca 0.07 -1.74 -0.13 0.00 -0.26 0.00 0.00 60.65 58.59 1pea s ILE 177 Cb -0.07 -1.72 0.08 0.00 1.25 0.00 0.00 42.46 42.01 1pea s ILE 177 CO -0.00 -0.18 1.07 -2.65 0.24 0.00 0.00 174.94 173.41 1pea n PRO 178 N 0.68 0.03 0.20 0.37 -0.02 -1.26 0.56 135.00 135.56 1pea n PRO 178 Ca -0.16 0.08 0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1pea n PRO 178 Cb 0.55 -2.33 0.41 0.00 -0.02 0.00 0.00 33.50 32.12 1pea n PRO 178 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1pea h LEU 179 N -1.11 0.00 -7.02 2.45 3.38 -1.94 -3.28 115.31 107.79 1pea h LEU 179 Ca -0.45 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.90 1pea h LEU 179 Cb 1.30 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.63 1pea h LEU 179 CO 0.44 0.33 -0.57 -1.22 0.09 0.00 0.00 178.44 177.51 1pea n TYR 180 N -4.00 3.32 -3.09 1.13 4.01 -1.26 -4.56 117.16 112.71 1pea n TYR 180 Ca -0.02 -4.31 -0.37 0.00 -0.16 0.00 0.00 57.90 53.05 1pea n TYR 180 Cb 0.38 -0.63 -0.06 0.00 -0.31 0.00 0.00 39.34 38.72 1pea n TYR 180 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1pea s PRO 181 N -1.56 4.29 0.36 -0.72 0.04 -1.24 -5.09 135.00 131.08 1pea s PRO 181 Ca 0.26 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.15 1pea s PRO 181 Cb -0.03 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1pea s PRO 181 CO -0.16 0.42 0.64 -1.54 0.04 0.00 0.00 177.00 176.40 1pea s SER 182 N -1.58 6.40 0.54 6.66 1.04 -1.26 -4.95 113.70 120.55 1pea s SER 182 Ca 0.42 0.79 0.25 0.00 0.48 0.00 0.00 55.95 57.89 1pea s SER 182 Cb -0.17 -2.18 1.42 0.00 0.10 0.00 0.00 66.02 65.19 1pea s SER 182 CO 0.21 -0.33 2.02 0.44 0.98 0.00 0.00 173.24 176.56 1pea h ASP 183 N 1.15 0.00 0.25 7.02 3.32 -1.98 -0.40 116.42 125.77 1pea h ASP 183 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1pea h ASP 183 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1pea h ASP 183 CO 0.64 0.00 -0.26 0.44 -1.72 0.00 0.00 179.24 178.34 1pea h ASP 184 N 0.00 -0.69 -0.50 6.45 3.32 -1.98 0.55 116.42 123.57 1pea h ASP 184 Ca 0.20 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.37 1pea h ASP 184 Cb 0.86 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 1pea h ASP 184 CO -0.00 -0.37 0.24 0.44 -1.72 0.00 0.00 179.24 177.82 1pea h ASP 185 N -0.54 0.32 -0.75 6.45 3.32 -1.47 0.15 116.42 123.90 1pea h ASP 185 Ca -0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1pea h ASP 185 Cb 0.50 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1pea h ASP 185 CO -0.06 0.22 0.40 -0.07 -1.72 0.00 0.00 179.24 178.01 1pea h LEU 186 N 0.46 0.96 -0.28 1.55 3.38 -0.84 -0.74 115.31 119.80 1pea h LEU 186 Ca 0.23 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1pea h LEU 186 Cb 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pea h LEU 186 CO -0.17 0.79 -0.72 1.56 0.09 0.00 0.00 178.44 179.98 1pea h GLN 187 N 1.07 0.67 0.00 1.13 7.50 0.11 -1.76 115.11 123.83 1pea h GLN 187 Ca 0.27 -0.52 -0.08 0.00 0.50 0.00 0.00 58.65 58.82 1pea h GLN 187 Cb 0.06 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 1pea h GLN 187 CO -0.04 1.14 -0.39 0.00 -1.50 0.00 0.00 178.83 178.04 1pea h ARG 188 N 0.47 0.00 -0.03 1.46 3.08 -0.90 -2.87 114.38 115.58 1pea h ARG 188 Ca -0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1pea h ARG 188 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1pea h ARG 188 CO 0.14 0.39 -0.22 0.00 -1.07 0.00 0.00 179.97 179.21 1pea h ALA 189 N 1.61 0.07 0.00 0.04 0.00 -0.84 -2.93 119.26 117.22 1pea h ALA 189 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1pea h ALA 189 Cb 0.93 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1pea h ALA 189 CO 0.05 0.07 -0.10 0.28 0.00 0.00 0.00 179.25 179.55 1pea h VAL 190 N -0.37 0.94 -0.30 0.00 2.07 -1.37 -0.66 116.25 116.56 1pea h VAL 190 Ca -0.02 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1pea h VAL 190 Cb 0.90 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1pea h VAL 190 CO 0.05 0.10 -0.00 -0.08 0.02 0.00 0.00 177.57 177.65 1pea h GLU 191 N 0.00 0.54 -0.26 1.57 4.57 -1.51 0.43 114.58 119.91 1pea h GLU 191 Ca -0.00 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 57.96 1pea h GLU 191 Cb 0.19 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1pea h GLU 191 CO 0.01 0.68 -0.04 0.00 -1.18 0.00 0.00 179.01 178.48 1pea h ARG 192 N 0.33 0.40 -0.06 1.92 3.08 -0.98 -1.04 114.38 118.04 1pea h ARG 192 Ca 0.09 -0.08 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1pea h ARG 192 Cb 0.44 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.44 1pea h ARG 192 CO 0.02 0.46 -0.88 0.82 -1.07 0.00 0.00 179.97 179.32 1pea h ILE 193 N 0.39 1.33 -0.17 2.04 2.04 -0.76 -2.90 117.51 119.48 1pea h ILE 193 Ca 0.08 -2.20 -0.01 0.00 1.00 0.00 0.00 64.86 63.74 1pea h ILE 193 Cb 0.32 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1pea h ILE 193 CO 0.01 0.67 0.08 0.22 0.00 0.00 0.00 178.15 179.14 1pea h TYR 194 N 0.37 0.25 0.00 1.37 3.20 0.51 -2.89 116.97 119.78 1pea h TYR 194 Ca -0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1pea h TYR 194 Cb 1.50 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1pea h TYR 194 CO 0.07 0.28 0.00 1.96 -1.64 0.00 0.00 178.16 178.84 1pea h GLN 195 N 0.14 0.00 0.00 1.82 1.08 -1.30 -3.21 115.11 113.64 1pea h GLN 195 Ca 0.06 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1pea h GLN 195 Cb 0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1pea h GLN 195 CO -0.01 0.00 -0.16 0.00 -0.95 0.00 0.00 178.83 177.71 1pea h ALA 196 N 2.05 1.08 -5.73 3.87 0.00 -1.29 -3.48 119.26 115.77 1pea h ALA 196 Ca 0.00 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.42 1pea h ALA 196 Cb 0.68 -0.03 0.15 0.00 0.00 0.00 0.00 17.79 18.59 1pea h ALA 196 CO 0.00 0.21 -0.80 0.54 0.00 0.00 0.00 179.25 179.20 1pea n ARG 197 N -3.40 -5.55 -3.04 0.00 5.12 -1.21 -5.00 116.66 103.57 1pea n ARG 197 Ca -0.00 0.79 -0.23 0.00 -1.93 0.00 0.00 57.85 56.48 1pea n ARG 197 Cb 0.36 -5.68 0.01 0.00 -1.16 0.00 0.00 32.46 25.99 1pea n ARG 197 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pea s ALA 198 N -3.43 3.72 -0.14 7.54 0.00 -1.26 -5.01 121.76 123.16 1pea s ALA 198 Ca 0.07 -0.99 0.20 0.00 0.00 0.00 0.00 51.96 51.25 1pea s ALA 198 Cb -0.01 -2.17 -0.15 0.00 0.00 0.00 0.00 23.12 20.79 1pea s ALA 198 CO 0.75 -0.30 0.74 -0.25 0.00 0.00 0.00 175.76 176.70 1pea n ASP 199 N -2.03 0.57 -3.79 0.00 8.00 0.11 -4.59 116.55 114.81 1pea n ASP 199 Ca 0.00 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 1pea n ASP 199 Cb 0.57 0.78 -0.12 0.00 -0.02 0.00 0.00 41.12 42.33 1pea n ASP 199 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pea s VAL 200 N -3.17 -0.01 -0.29 2.53 1.01 -0.96 -4.04 120.40 115.47 1pea s VAL 200 Ca -0.04 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1pea s VAL 200 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1pea s VAL 200 CO 0.83 0.01 0.15 -0.69 0.00 0.00 0.00 175.10 175.40 1pea s VAL 201 N 0.33 4.75 -0.33 2.92 1.01 -0.98 -1.92 120.40 126.18 1pea s VAL 201 Ca -0.02 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1pea s VAL 201 Cb -0.03 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1pea s VAL 201 CO -0.01 0.18 0.31 0.12 0.00 0.00 0.00 175.10 175.69 1pea s PHE 202 N 1.66 3.22 -0.28 5.22 5.36 -0.15 -1.03 117.98 131.98 1pea s PHE 202 Ca 0.06 -0.06 -0.11 0.00 -0.96 0.00 0.00 56.93 55.86 1pea s PHE 202 Cb -0.16 -2.57 -0.05 0.00 -0.34 0.00 0.00 43.02 39.90 1pea s PHE 202 CO 0.07 -0.38 0.18 0.45 -1.46 0.00 0.00 175.22 174.08 1pea s SER 203 N 1.73 5.96 -0.27 6.13 0.15 0.47 -1.82 113.70 126.06 1pea s SER 203 Ca 0.09 -0.02 0.09 0.00 0.70 0.00 0.00 55.95 56.81 1pea s SER 203 Cb -0.17 -2.11 0.46 0.00 -1.71 0.00 0.00 66.02 62.50 1pea s SER 203 CO 0.11 -0.05 1.34 0.35 1.20 0.00 0.00 173.24 176.20 1pea n THR 204 N 5.03 2.43 -2.92 6.45 -2.24 0.40 -4.14 114.28 119.29 1pea n THR 204 Ca -0.14 -3.15 -0.41 0.00 -2.27 0.00 0.00 64.05 58.08 1pea n THR 204 Cb 0.52 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 1pea n THR 204 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1pea s VAL 205 N -3.44 4.94 0.31 2.28 1.01 -1.25 -1.95 120.40 122.31 1pea s VAL 205 Ca 0.43 1.61 0.09 0.00 0.00 0.00 0.00 61.98 64.11 1pea s VAL 205 Cb 0.39 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1pea s VAL 205 CO -0.03 0.12 0.01 0.68 0.00 0.00 0.00 175.10 175.87 1pea s VAL 206 N 1.58 2.89 0.00 2.92 -7.23 -1.26 -4.65 120.40 114.65 1pea s VAL 206 Ca 0.39 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1pea s VAL 206 Cb -0.17 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1pea s VAL 206 CO 0.16 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1pea n GLY 207 N -0.93 2.24 0.26 2.32 0.00 -1.26 -3.61 105.19 104.21 1pea n GLY 207 Ca -0.05 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.54 1pea n GLY 207 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pea h THR 208 N 0.00 0.61 0.00 2.61 2.02 -0.86 -1.93 112.91 115.36 1pea h THR 208 Ca 0.00 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1pea h THR 208 Cb 0.00 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1pea h THR 208 CO 0.00 0.06 -0.02 1.23 0.37 0.00 0.00 175.52 177.16 1pea h GLY 209 N 0.34 0.00 0.04 2.16 0.00 -1.80 -3.21 103.07 100.60 1pea h GLY 209 Ca 0.38 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.74 1pea h GLY 209 CO -0.43 0.00 -0.47 -0.84 0.00 0.00 0.00 176.54 174.79 1pea h THR 210 N 0.00 0.08 -0.15 4.70 2.02 -1.48 0.29 112.91 118.36 1pea h THR 210 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1pea h THR 210 Cb 0.06 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1pea h THR 210 CO 0.00 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.73 1pea h ALA 211 N -0.17 1.45 -0.14 6.16 0.00 -1.74 -0.93 119.26 123.89 1pea h ALA 211 Ca 0.04 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1pea h ALA 211 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pea h ALA 211 CO -0.36 0.39 -0.61 0.93 0.00 0.00 0.00 179.25 179.59 1pea h GLU 212 N 0.23 0.50 0.53 0.00 5.08 -1.45 -2.25 114.58 117.22 1pea h GLU 212 Ca 0.05 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1pea h GLU 212 Cb 0.43 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1pea h GLU 212 CO 0.03 0.96 -0.26 1.25 -1.00 0.00 0.00 179.01 179.99 1pea h LEU 213 N 0.37 -0.61 -0.64 1.33 5.85 0.19 -0.84 115.31 120.96 1pea h LEU 213 Ca -0.01 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.79 1pea h LEU 213 Cb 1.17 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.25 1pea h LEU 213 CO 0.11 -0.30 0.08 1.88 -0.34 0.00 0.00 178.44 179.87 1pea h TYR 214 N -0.92 0.10 -0.29 1.25 -1.99 -1.17 -0.16 116.97 113.79 1pea h TYR 214 Ca -0.07 0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 1pea h TYR 214 Cb 0.62 0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 1pea h TYR 214 CO -0.00 -0.11 -0.09 -0.09 -0.00 0.00 0.00 178.16 177.87 1pea h ARG 215 N 0.19 0.57 -0.84 4.88 2.43 -1.44 -1.89 114.38 118.28 1pea h ARG 215 Ca 0.34 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1pea h ARG 215 Cb 0.55 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1pea h ARG 215 CO -0.49 0.78 0.55 0.00 -1.51 0.00 0.00 179.97 179.30 1pea h ALA 216 N 0.77 1.08 -0.58 2.80 0.00 0.20 0.19 119.26 123.72 1pea h ALA 216 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1pea h ALA 216 Cb 0.58 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1pea h ALA 216 CO 0.03 0.44 0.03 0.82 0.00 0.00 0.00 179.25 180.56 1pea h ILE 217 N 1.11 1.26 -0.31 0.00 2.04 -1.01 -0.37 117.51 120.23 1pea h ILE 217 Ca 0.32 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1pea h ILE 217 Cb -0.09 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1pea h ILE 217 CO -0.08 0.40 0.16 0.00 0.00 0.00 0.00 178.15 178.62 1pea h ALA 218 N 0.98 0.40 0.00 1.87 0.00 -0.47 -1.90 119.26 120.14 1pea h ALA 218 Ca 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1pea h ALA 218 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pea h ALA 218 CO 0.02 -0.05 -0.17 0.00 0.00 0.00 0.00 179.25 179.05 1pea h ARG 219 N 0.37 0.00 0.13 0.00 3.08 -0.21 -0.61 114.38 117.14 1pea h ARG 219 Ca 0.11 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.88 1pea h ARG 219 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1pea h ARG 219 CO -0.02 0.17 -1.24 -0.09 -1.07 0.00 0.00 179.97 177.73 1pea h ARG 220 N 0.00 0.30 -0.20 0.04 9.65 -0.69 -3.32 114.38 120.15 1pea h ARG 220 Ca -0.00 -0.49 -0.15 0.00 -1.10 0.00 0.00 59.98 58.23 1pea h ARG 220 Cb 0.48 0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 1pea h ARG 220 CO 0.02 1.23 -0.51 1.88 2.80 0.00 0.00 179.97 185.39 1pea h TYR 221 N 0.09 0.70 0.00 2.20 0.05 -0.61 -3.48 116.97 115.91 1pea h TYR 221 Ca -0.14 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.40 1pea h TYR 221 Cb 1.96 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 39.56 1pea h TYR 221 CO 0.07 0.96 0.00 0.41 -1.05 0.00 0.00 178.16 178.55 1pea n GLY 222 N 0.19 2.80 3.77 3.88 0.00 -0.31 -4.73 105.19 110.80 1pea n GLY 222 Ca -0.03 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1pea n GLY 222 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pea s ASP 223 N -4.00 7.24 0.05 1.61 1.01 -1.26 -4.96 116.67 116.36 1pea s ASP 223 Ca 0.00 1.47 0.00 0.00 0.71 0.00 0.00 52.55 54.73 1pea s ASP 223 Cb 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1pea s ASP 223 CO 0.00 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1pea n GLY 224 N 1.98 -2.63 0.00 0.21 0.00 -1.26 -4.98 105.19 98.51 1pea n GLY 224 Ca -0.05 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1pea n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pea n ARG 225 N -2.21 0.00 -4.18 1.61 3.00 -1.26 -5.01 116.66 108.60 1pea n ARG 225 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.67 1pea n ARG 225 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.38 1pea n ARG 225 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1pea s ARG 226 N 0.00 0.61 0.64 5.56 1.70 -1.26 -5.10 118.95 121.10 1pea s ARG 226 Ca 0.00 -0.57 -0.18 0.00 -0.47 0.00 0.00 55.73 54.51 1pea s ARG 226 Cb 0.00 -0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 33.85 1pea s ARG 226 CO 0.00 0.12 1.29 -1.25 -1.08 0.00 0.00 175.30 174.39 1pea s PRO 227 N -0.97 2.58 0.67 3.89 0.04 -1.26 -4.99 135.00 134.96 1pea s PRO 227 Ca -0.03 2.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1pea s PRO 227 Cb -0.07 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 1pea s PRO 227 CO 0.00 -1.58 1.06 -1.25 0.04 0.00 0.00 177.00 175.27 1pea s PRO 228 N -3.36 3.07 -0.26 0.56 0.04 -1.26 -4.80 135.00 128.99 1pea s PRO 228 Ca 0.82 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 1pea s PRO 228 Cb -0.37 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1pea s PRO 228 CO 0.40 -1.00 0.10 0.42 0.04 0.00 0.00 177.00 176.96 1pea s ILE 229 N -2.94 4.50 0.17 0.56 1.01 -1.26 -2.31 121.20 120.92 1pea s ILE 229 Ca 0.59 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 1pea s ILE 229 Cb -0.14 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1pea s ILE 229 CO 0.51 0.30 0.40 0.00 0.00 0.00 0.00 174.94 176.15 1pea s ALA 230 N 1.64 3.78 0.15 9.38 0.00 -0.20 0.11 121.76 136.62 1pea s ALA 230 Ca 0.06 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 1pea s ALA 230 Cb -0.15 -2.13 0.06 0.00 0.00 0.00 0.00 23.12 20.89 1pea s ALA 230 CO 0.05 0.60 0.54 0.45 0.00 0.00 0.00 175.76 177.40 1pea s SER 231 N -2.59 -0.47 -0.00 0.00 0.15 -0.20 -0.39 113.70 110.20 1pea s SER 231 Ca 0.41 -0.10 0.09 0.00 0.70 0.00 0.00 55.95 57.05 1pea s SER 231 Cb -0.12 0.56 -0.10 0.00 -1.71 0.00 0.00 66.02 64.65 1pea s SER 231 CO 0.25 -0.93 0.35 0.18 1.20 0.00 0.00 173.24 174.29 1pea n LEU 232 N -0.33 0.34 -0.06 3.45 4.77 -1.26 -2.66 117.00 121.25 1pea n LEU 232 Ca -0.17 -0.41 -0.08 0.00 -0.03 0.00 0.00 56.01 55.32 1pea n LEU 232 Cb 0.65 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1pea n LEU 232 CO 0.14 0.09 -0.88 0.35 -1.33 0.00 0.00 177.39 175.75 1pea n THR 233 N -1.32 0.67 -1.63 -5.08 -2.24 -1.26 -4.81 114.28 98.61 1pea n THR 233 Ca 0.01 -0.26 -0.49 0.00 -2.27 0.00 0.00 64.05 61.04 1pea n THR 233 Cb 0.16 -0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 67.43 1pea n THR 233 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1pea n THR 234 N -2.82 0.00 -4.08 4.28 -1.04 -1.26 -4.94 114.28 104.43 1pea n THR 234 Ca -0.21 -0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.76 1pea n THR 234 Cb 0.73 -1.19 -0.01 0.00 -1.82 0.00 0.00 70.33 68.03 1pea n THR 234 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1pea n SER 235 N 3.00 0.49 0.29 8.00 3.41 -1.26 -4.91 113.62 122.64 1pea n SER 235 Ca 0.18 -1.41 0.15 0.00 -0.26 0.00 0.00 58.87 57.52 1pea n SER 235 Cb 0.24 0.25 0.88 0.00 -0.26 0.00 0.00 64.21 65.32 1pea n SER 235 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1pea h GLU 236 N 0.00 0.00 -0.31 4.33 3.07 -1.92 0.64 114.58 120.39 1pea h GLU 236 Ca -0.05 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.66 1pea h GLU 236 Cb 0.23 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1pea h GLU 236 CO 0.08 0.03 -0.36 0.00 -1.40 0.00 0.00 179.01 177.36 1pea h ALA 237 N 1.97 0.46 0.18 3.43 0.00 -1.92 0.71 119.26 124.09 1pea h ALA 237 Ca -0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 1pea h ALA 237 Cb 0.08 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.80 1pea h ALA 237 CO 0.00 0.54 -1.21 0.93 0.00 0.00 0.00 179.25 179.51 1pea h GLU 238 N 0.56 0.50 -0.81 0.00 3.07 -1.82 -3.26 114.58 112.82 1pea h GLU 238 Ca 0.04 -0.78 0.05 0.00 -0.50 0.00 0.00 59.36 58.17 1pea h GLU 238 Cb 0.95 0.28 -0.05 0.00 -0.84 0.00 0.00 28.75 29.09 1pea h GLU 238 CO 0.09 1.36 0.53 0.28 -1.40 0.00 0.00 179.01 179.87 1pea h VAL 239 N 0.05 1.09 -0.05 3.13 2.07 -0.85 -0.01 116.25 121.67 1pea h VAL 239 Ca -0.20 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1pea h VAL 239 Cb 1.93 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1pea h VAL 239 CO 0.23 0.17 0.25 0.00 0.02 0.00 0.00 177.57 178.24 1pea h ALA 240 N 1.54 1.36 -0.57 1.67 0.00 -0.89 -1.44 119.26 120.94 1pea h ALA 240 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1pea h ALA 240 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pea h ALA 240 CO -0.11 -0.28 0.00 1.63 0.00 0.00 0.00 179.25 180.50 1pea n LYS 241 N -3.09 2.49 -4.49 0.00 4.76 -0.02 -4.97 118.16 112.84 1pea n LYS 241 Ca -0.01 -2.11 -0.23 0.00 -2.87 0.00 0.00 58.31 53.09 1pea n LYS 241 Cb 0.32 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 31.90 1pea n LYS 241 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1pea s MET 242 N -1.33 1.70 0.09 1.97 -1.94 -0.54 -4.92 119.30 114.32 1pea s MET 242 Ca 0.39 -1.91 -0.23 0.00 -1.71 0.00 0.00 55.69 52.23 1pea s MET 242 Cb 0.21 -1.23 -0.07 0.00 2.01 0.00 0.00 34.83 35.76 1pea s MET 242 CO 0.25 -0.04 0.71 -1.83 -0.01 0.00 0.00 175.02 174.10 1pea s GLU 243 N -3.76 4.44 0.61 2.03 -1.05 -1.26 -4.89 118.70 114.82 1pea s GLU 243 Ca 0.33 0.99 0.27 0.00 -0.15 0.00 0.00 54.97 56.41 1pea s GLU 243 Cb 0.06 -3.30 1.36 0.00 -0.44 0.00 0.00 34.13 31.81 1pea s GLU 243 CO 0.15 0.48 1.77 0.77 0.95 0.00 0.00 175.26 179.37 1pea h SER 244 N 4.93 0.00 1.38 0.83 0.02 -1.94 0.41 113.55 119.17 1pea h SER 244 Ca -0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 1pea h SER 244 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1pea h SER 244 CO 0.67 0.00 -0.63 -2.24 -1.14 0.00 0.00 176.83 173.49 1pea h ASP 245 N 0.00 0.00 0.28 3.07 2.03 -1.93 0.02 116.42 119.89 1pea h ASP 245 Ca 0.21 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.17 1pea h ASP 245 Cb 1.39 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.88 1pea h ASP 245 CO -0.00 0.09 -1.77 0.58 -1.03 0.00 0.00 179.24 177.11 1pea h VAL 246 N 0.00 0.88 -0.00 4.15 2.07 -0.68 -3.39 116.25 119.28 1pea h VAL 246 Ca -0.01 -2.56 -0.04 0.00 0.82 0.00 0.00 66.70 64.91 1pea h VAL 246 Cb 1.08 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1pea h VAL 246 CO 0.01 0.82 -0.17 0.00 0.02 0.00 0.00 177.57 178.25 1pea h ALA 247 N 0.31 0.02 -2.45 1.67 0.00 -0.97 -3.46 119.26 114.39 1pea h ALA 247 Ca -0.34 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 1pea h ALA 247 Cb 2.05 0.01 0.09 0.00 0.00 0.00 0.00 17.79 19.94 1pea h ALA 247 CO 0.13 0.02 0.59 -0.85 0.00 0.00 0.00 179.25 179.15 1pea n GLU 248 N -4.57 2.12 0.00 0.00 0.28 -0.01 -2.83 120.64 115.64 1pea n GLU 248 Ca -0.10 0.75 0.00 0.00 -0.16 0.00 0.00 57.16 57.66 1pea n GLU 248 Cb 0.46 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 30.95 1pea n GLU 248 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pea n GLY 249 N 1.58 2.06 3.78 -1.84 0.00 -0.93 -4.95 105.19 104.90 1pea n GLY 249 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1pea n GLY 249 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pea s GLN 250 N -0.75 4.05 -0.07 1.61 -1.52 -1.13 -4.55 119.66 117.29 1pea s GLN 250 Ca 0.00 1.63 0.01 0.00 -1.95 0.00 0.00 55.36 55.05 1pea s GLN 250 Cb 0.00 -2.53 -0.03 0.00 -0.22 0.00 0.00 33.01 30.23 1pea s GLN 250 CO 0.00 -0.27 -0.08 0.08 -0.25 0.00 0.00 175.29 174.77 1pea s VAL 251 N -1.59 3.63 -0.01 1.09 1.01 0.12 -2.37 120.40 122.27 1pea s VAL 251 Ca 0.59 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1pea s VAL 251 Cb -0.25 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 1pea s VAL 251 CO 0.31 0.59 0.09 -0.69 0.00 0.00 0.00 175.10 175.41 1pea s VAL 252 N -0.75 0.06 -0.14 2.92 1.01 -1.19 -1.03 120.40 121.28 1pea s VAL 252 Ca 0.11 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1pea s VAL 252 Cb -0.11 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1pea s VAL 252 CO 0.01 -0.29 -0.21 0.54 0.00 0.00 0.00 175.10 175.15 1pea s VAL 253 N -0.95 2.02 -0.01 2.92 0.11 -1.09 -1.97 120.40 121.43 1pea s VAL 253 Ca -0.10 -0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 57.83 1pea s VAL 253 Cb -0.06 -1.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.03 1pea s VAL 253 CO 0.01 0.54 0.34 0.00 -3.33 0.00 0.00 175.10 172.65 1pea s ALA 254 N 0.85 -0.85 -2.00 1.54 0.00 -0.74 -4.66 121.76 115.90 1pea s ALA 254 Ca -0.07 0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.36 1pea s ALA 254 Cb -0.15 0.09 0.51 0.00 0.00 0.00 0.00 23.12 23.56 1pea s ALA 254 CO -0.02 -0.28 0.99 -0.35 0.00 0.00 0.00 175.76 176.09 1pea n PRO 255 N 1.20 0.55 -3.52 0.00 -0.04 -1.25 -1.41 135.00 130.53 1pea n PRO 255 Ca -0.21 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.17 1pea n PRO 255 Cb 0.56 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.76 1pea n PRO 255 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1pea s TYR 256 N -2.00 -0.34 0.03 0.54 5.04 -1.26 -4.60 117.35 114.76 1pea s TYR 256 Ca 0.13 0.19 -0.11 0.00 -2.44 0.00 0.00 57.07 54.84 1pea s TYR 256 Cb 0.06 0.55 0.01 0.00 0.35 0.00 0.00 41.96 42.92 1pea s TYR 256 CO 0.10 -0.57 0.23 -0.06 -1.34 0.00 0.00 175.55 173.91 1pea s PHE 257 N -3.16 -0.02 0.40 4.97 0.08 -1.26 -4.32 117.98 114.66 1pea s PHE 257 Ca 0.05 -0.11 0.10 0.00 0.12 0.00 0.00 56.93 57.09 1pea s PHE 257 Cb -0.01 0.02 0.82 0.00 -0.57 0.00 0.00 43.02 43.28 1pea s PHE 257 CO -0.08 -0.42 1.94 0.66 -0.10 0.00 0.00 175.22 177.22 1pea h SER 258 N 3.58 0.24 -0.21 1.36 4.64 -1.90 -3.19 113.55 118.06 1pea h SER 258 Ca -0.31 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1pea h SER 258 Cb 1.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1pea h SER 258 CO 0.45 0.36 0.00 -1.54 -0.87 0.00 0.00 176.83 175.23 1pea n SER 259 N -4.31 2.58 -4.77 4.97 3.41 -1.26 -4.80 113.62 109.44 1pea n SER 259 Ca -0.00 -2.30 -0.38 0.00 -0.26 0.00 0.00 58.87 55.92 1pea n SER 259 Cb 0.24 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1pea n SER 259 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pea s ILE 260 N -1.63 3.32 0.27 -1.33 -4.36 -1.21 -4.95 121.20 111.32 1pea s ILE 260 Ca 0.19 1.11 -0.00 0.00 -0.26 0.00 0.00 60.65 61.69 1pea s ILE 260 Cb 0.14 -3.62 0.27 0.00 1.25 0.00 0.00 42.46 40.50 1pea s ILE 260 CO 0.06 0.10 1.68 -2.24 0.24 0.00 0.00 174.94 174.78 1pea h ASP 261 N 2.74 0.12 -3.35 4.36 3.04 -1.95 -3.41 116.42 117.96 1pea h ASP 261 Ca -0.48 0.16 -0.52 0.00 -3.24 0.00 0.00 57.03 52.94 1pea h ASP 261 Cb 1.23 0.19 0.22 0.00 -1.04 0.00 0.00 39.33 39.92 1pea h ASP 261 CO 0.63 -0.05 -0.58 0.35 -2.04 0.00 0.00 179.24 177.56 1pea n THR 262 N -5.13 0.00 0.10 1.15 -2.24 -1.26 -4.84 114.28 102.06 1pea n THR 262 Ca 0.18 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1pea n THR 262 Cb 0.57 -0.64 0.27 0.00 -2.10 0.00 0.00 70.33 68.44 1pea n THR 262 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1pea h PRO 263 N -1.63 0.24 -0.31 -0.78 0.13 -1.97 -2.60 132.00 125.07 1pea h PRO 263 Ca -0.44 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.53 1pea h PRO 263 Cb 1.29 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1pea h PRO 263 CO 0.35 0.54 -0.05 0.00 -0.23 0.00 0.00 178.00 178.61 1pea h ALA 264 N 1.46 0.43 0.91 -0.56 0.00 -1.92 -1.30 119.26 118.28 1pea h ALA 264 Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1pea h ALA 264 Cb 0.68 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pea h ALA 264 CO 0.05 0.24 -0.44 1.03 0.00 0.00 0.00 179.25 180.13 1pea h SER 265 N 0.37 -1.04 -0.88 0.00 0.87 -1.58 -2.11 113.55 109.19 1pea h SER 265 Ca 0.08 0.03 0.17 0.00 -1.23 0.00 0.00 61.79 60.85 1pea h SER 265 Cb 0.53 0.27 -0.10 0.00 -0.44 0.00 0.00 62.40 62.65 1pea h SER 265 CO 0.03 -0.72 0.44 0.03 -0.53 0.00 0.00 176.83 176.08 1pea h ARG 266 N -1.27 0.55 -0.44 2.24 3.08 -1.52 0.75 114.38 117.77 1pea h ARG 266 Ca -0.13 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1pea h ARG 266 Cb 0.94 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1pea h ARG 266 CO 0.21 0.36 0.16 0.00 -1.07 0.00 0.00 179.97 179.63 1pea h ALA 267 N 1.61 0.57 -0.43 0.04 0.00 -1.21 0.12 119.26 119.96 1pea h ALA 267 Ca 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1pea h ALA 267 Cb 0.81 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1pea h ALA 267 CO -0.42 0.20 0.19 0.35 0.00 0.00 0.00 179.25 179.58 1pea h PHE 268 N 0.57 0.64 0.53 0.00 3.57 -0.32 -2.46 116.94 119.48 1pea h PHE 268 Ca 0.14 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1pea h PHE 268 Cb 0.23 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.77 1pea h PHE 268 CO 0.01 0.54 -0.26 0.28 -2.23 0.00 0.00 178.31 176.65 1pea h VAL 269 N 0.56 0.00 -0.34 1.41 2.07 0.75 0.13 116.25 120.84 1pea h VAL 269 Ca 0.15 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.56 1pea h VAL 269 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1pea h VAL 269 CO -0.02 0.00 0.41 0.06 0.02 0.00 0.00 177.57 178.05 1pea h GLN 270 N -0.92 0.00 0.10 1.57 3.07 -0.87 0.86 115.11 118.93 1pea h GLN 270 Ca -0.07 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.40 1pea h GLN 270 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.12 1pea h GLN 270 CO 0.12 0.00 -1.17 0.00 0.09 0.00 0.00 178.83 177.87 1pea h ALA 271 N 1.50 0.14 -0.58 0.06 0.00 -1.15 -2.94 119.26 116.30 1pea h ALA 271 Ca 0.16 -0.81 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1pea h ALA 271 Cb 0.98 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1pea h ALA 271 CO -0.00 0.86 -0.00 0.00 0.00 0.00 0.00 179.25 180.11 1pea h HIS 273 N 0.93 0.21 -0.83 0.00 -0.00 -0.97 0.17 115.15 114.66 1pea h HIS 273 Ca 0.17 0.01 -0.46 0.00 -0.00 0.00 0.00 60.37 60.08 1pea h HIS 273 Cb 0.54 -0.07 -0.25 0.00 -0.00 0.00 0.00 27.41 27.62 1pea h HIS 273 CO 0.04 0.13 0.59 0.41 -0.00 0.00 0.00 177.93 179.10 1pea n GLY 274 N -1.52 4.38 0.00 2.45 0.00 -0.66 -4.44 105.19 105.40 1pea n GLY 274 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1pea n GLY 274 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pea n PHE 275 N -0.78 0.00 -2.42 1.61 7.35 -0.57 -5.04 117.46 117.62 1pea n PHE 275 Ca 0.50 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.84 1pea n PHE 275 Cb 1.27 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 41.08 1pea n PHE 275 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1pea s PHE 276 N -1.00 2.96 0.52 -5.13 0.40 0.48 -5.02 117.98 111.18 1pea s PHE 276 Ca 0.00 1.58 -0.08 0.00 -0.60 0.00 0.00 56.93 57.83 1pea s PHE 276 Cb 0.00 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.29 1pea s PHE 276 CO 0.00 -1.10 0.86 -1.25 0.70 0.00 0.00 175.22 174.43 1pea s PRO 277 N -2.95 3.59 0.63 0.24 0.04 -1.26 -4.93 135.00 130.35 1pea s PRO 277 Ca 0.65 0.40 0.28 0.00 0.04 0.00 0.00 61.00 62.37 1pea s PRO 277 Cb -0.22 -2.28 1.45 0.00 0.04 0.00 0.00 34.50 33.48 1pea s PRO 277 CO 0.27 -0.30 1.84 1.05 0.04 0.00 0.00 177.00 179.90 1pea h GLU 278 N 0.17 0.00 -0.01 4.56 -0.00 -1.98 -1.13 114.58 116.19 1pea h GLU 278 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 1pea h GLU 278 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1pea h GLU 278 CO 0.62 0.00 -0.19 0.27 -0.00 0.00 0.00 179.01 179.71 1pea n ASN 279 N -3.28 1.10 -4.73 3.06 6.94 -1.26 -4.79 115.26 112.30 1pea n ASN 279 Ca 0.04 -1.01 -0.35 0.00 -0.02 0.00 0.00 54.58 53.23 1pea n ASN 279 Cb 0.59 0.09 -0.08 0.00 -2.36 0.00 0.00 39.78 38.02 1pea n ASN 279 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pea s ALA 280 N -2.38 3.56 0.29 -2.53 0.00 -0.43 -4.93 121.76 115.34 1pea s ALA 280 Ca 0.28 -0.72 0.09 0.00 0.00 0.00 0.00 51.96 51.61 1pea s ALA 280 Cb 0.20 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1pea s ALA 280 CO 0.47 0.38 0.09 0.95 0.00 0.00 0.00 175.76 177.65 1pea s THR 281 N -0.26 3.52 -0.33 0.00 -4.23 -1.26 -4.66 115.64 108.43 1pea s THR 281 Ca 0.09 -1.72 -0.21 0.00 -1.18 0.00 0.00 61.69 58.67 1pea s THR 281 Cb -0.12 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 70.71 1pea s THR 281 CO 0.01 -0.30 0.68 -0.63 -0.54 0.00 0.00 174.62 173.84 1pea s ILE 282 N -2.32 4.87 0.39 2.99 1.01 -1.26 -4.65 121.20 122.23 1pea s ILE 282 Ca 0.34 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.87 1pea s ILE 282 Cb -0.05 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1pea s ILE 282 CO 0.22 -0.26 0.15 0.42 0.00 0.00 0.00 174.94 175.48 1pea s THR 283 N 2.78 0.49 0.16 2.92 -4.23 -1.26 -4.49 115.64 112.01 1pea s THR 283 Ca 0.27 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.07 1pea s THR 283 Cb -0.14 -2.39 0.31 0.00 1.34 0.00 0.00 72.50 71.61 1pea s THR 283 CO 0.14 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.14 1pea h ALA 284 N 1.88 1.04 0.00 3.99 0.00 -1.93 -2.67 119.26 121.57 1pea h ALA 284 Ca -0.34 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 1pea h ALA 284 Cb 1.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1pea h ALA 284 CO 0.53 0.15 -1.04 -1.49 0.00 0.00 0.00 179.25 177.40 1pea h TRP 285 N 0.00 0.00 -0.29 0.00 -0.00 -1.92 -1.74 115.95 112.00 1pea h TRP 285 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.89 58.74 1pea h TRP 285 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.75 1pea h TRP 285 CO 0.00 0.96 -0.43 0.00 -0.00 0.00 0.00 178.44 178.97 1pea h ALA 286 N 1.04 0.69 -0.57 1.49 0.00 -1.70 -1.71 119.26 118.50 1pea h ALA 286 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1pea h ALA 286 Cb 1.77 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1pea h ALA 286 CO 0.12 0.67 0.37 1.49 0.00 0.00 0.00 179.25 181.89 1pea h GLU 287 N 0.60 0.72 -0.45 0.00 4.22 -1.26 -0.44 114.58 117.97 1pea h GLU 287 Ca 0.04 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 1pea h GLU 287 Cb 0.98 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1pea h GLU 287 CO 0.09 0.48 0.02 0.00 -2.18 0.00 0.00 179.01 177.42 1pea h ALA 288 N 1.22 0.61 -0.05 2.92 0.00 -1.24 -1.29 119.26 121.43 1pea h ALA 288 Ca 0.21 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1pea h ALA 288 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1pea h ALA 288 CO -0.06 0.38 -0.40 0.00 0.00 0.00 0.00 179.25 179.17 1pea h ALA 289 N 0.92 1.23 0.44 0.00 0.00 -1.06 -1.68 119.26 119.12 1pea h ALA 289 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1pea h ALA 289 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pea h ALA 289 CO 0.02 0.55 -0.21 -0.92 0.00 0.00 0.00 179.25 178.68 1pea h TYR 290 N 0.09 -0.55 -0.77 0.00 3.20 -0.86 -2.38 116.97 115.69 1pea h TYR 290 Ca 0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1pea h TYR 290 Cb 0.76 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1pea h TYR 290 CO 0.01 -0.23 0.36 0.11 -1.64 0.00 0.00 178.16 176.77 1pea h TRP 291 N -0.95 1.11 0.00 -3.82 5.08 -1.24 -1.75 115.95 114.38 1pea h TRP 291 Ca -0.06 -0.05 -0.08 0.00 1.08 0.00 0.00 58.89 59.78 1pea h TRP 291 Cb 0.57 -0.34 -0.01 0.00 -3.00 0.00 0.00 29.16 26.38 1pea h TRP 291 CO 0.02 0.81 -0.36 0.37 -1.28 0.00 0.00 178.44 177.99 1pea h GLN 292 N 1.10 0.00 -0.16 0.12 4.15 -1.40 -2.14 115.11 116.79 1pea h GLN 292 Ca 0.26 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.49 1pea h GLN 292 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1pea h GLN 292 CO -0.03 0.36 -0.70 1.15 -1.93 0.00 0.00 178.83 177.68 1pea h THR 293 N 0.00 1.31 0.53 2.39 2.02 -0.97 -2.29 112.91 115.90 1pea h THR 293 Ca -0.00 -1.96 -0.02 0.00 0.77 0.00 0.00 66.41 65.20 1pea h THR 293 Cb 0.65 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 1pea h THR 293 CO 0.05 0.61 -0.45 -0.07 0.37 0.00 0.00 175.52 176.03 1pea h LEU 294 N 0.46 -1.20 -0.84 2.58 3.38 -0.94 -2.09 115.31 116.67 1pea h LEU 294 Ca -0.03 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.22 1pea h LEU 294 Cb 1.29 0.39 -0.11 0.00 0.09 0.00 0.00 40.66 42.32 1pea h LEU 294 CO 0.14 -0.63 0.34 0.25 0.09 0.00 0.00 178.44 178.63 1pea h LEU 295 N -0.96 0.29 -1.52 1.67 5.85 -1.46 1.24 115.31 120.42 1pea h LEU 295 Ca -0.06 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1pea h LEU 295 Cb 0.82 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1pea h LEU 295 CO -0.02 0.05 0.10 0.25 -0.34 0.00 0.00 178.44 178.47 1pea h LEU 296 N 0.42 0.37 0.26 2.25 5.85 -1.03 0.51 115.31 123.94 1pea h LEU 296 Ca 0.49 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.16 1pea h LEU 296 Cb 0.85 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1pea h LEU 296 CO -0.48 0.36 -0.12 1.23 -0.34 0.00 0.00 178.44 179.09 1pea h GLY 297 N 0.59 -0.36 -0.56 3.75 0.00 0.18 -2.75 103.07 103.92 1pea h GLY 297 Ca 0.10 0.13 0.17 0.00 0.00 0.00 0.00 47.33 47.74 1pea h GLY 297 CO -0.01 -0.13 -0.11 3.21 0.00 0.00 0.00 176.54 179.50 1pea h ARG 298 N -0.62 0.03 -0.71 4.80 -0.00 0.50 0.20 114.38 118.58 1pea h ARG 298 Ca -0.04 -0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.50 1pea h ARG 298 Cb 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.19 1pea h ARG 298 CO 0.06 0.02 0.47 0.00 0.00 0.00 0.00 179.97 180.52 1pea h ALA 299 N 1.79 1.70 0.00 0.04 0.00 -0.95 -1.06 119.26 120.78 1pea h ALA 299 Ca 0.41 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.10 1pea h ALA 299 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1pea h ALA 299 CO -0.78 0.19 -0.89 0.00 0.00 0.00 0.00 179.25 177.76 1pea h ALA 300 N 1.61 0.48 0.22 0.00 0.00 -0.34 0.30 119.26 121.53 1pea h ALA 300 Ca 0.30 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1pea h ALA 300 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pea h ALA 300 CO -0.10 0.89 -0.10 1.96 0.00 0.00 0.00 179.25 181.90 1pea h GLN 301 N 0.14 -0.28 -0.59 0.00 4.20 -0.18 0.80 115.11 119.19 1pea h GLN 301 Ca -0.05 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1pea h GLN 301 Cb 1.52 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.32 1pea h GLN 301 CO 0.14 -0.04 0.31 0.00 -0.67 0.00 0.00 178.83 178.57 1pea h ALA 302 N 0.24 0.77 0.00 3.87 0.00 -1.27 0.11 119.26 122.98 1pea h ALA 302 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pea h ALA 302 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pea h ALA 302 CO 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1pea h ALA 303 N 1.32 1.00 -5.44 0.00 0.00 -0.83 -3.47 119.26 111.84 1pea h ALA 303 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1pea h ALA 303 Cb 0.17 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.10 1pea h ALA 303 CO -0.18 0.00 -0.66 0.41 0.00 0.00 0.00 179.25 178.82 1pea n GLY 304 N 0.65 -0.38 3.61 0.00 0.00 0.26 -4.97 105.19 104.37 1pea n GLY 304 Ca 0.03 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1pea n GLY 304 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pea s ASN 305 N -3.69 -0.06 -0.41 1.61 3.84 -0.42 -5.01 114.94 110.79 1pea s ASN 305 Ca 0.32 -0.08 0.05 0.00 0.21 0.00 0.00 52.86 53.36 1pea s ASN 305 Cb -0.14 0.12 0.44 0.00 -0.55 0.00 0.00 41.25 41.12 1pea s ASN 305 CO 0.67 -0.22 1.28 0.79 -2.79 0.00 0.00 177.10 176.83 1pea n TRP 306 N -0.39 3.03 -3.97 0.43 7.02 -1.26 -4.63 117.44 117.67 1pea n TRP 306 Ca -0.06 -2.60 -0.36 0.00 -1.02 0.00 0.00 57.50 53.46 1pea n TRP 306 Cb 0.62 -0.40 -0.06 0.00 -2.42 0.00 0.00 31.31 29.05 1pea n TRP 306 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1pea s ARG 307 N -3.63 3.34 0.11 -0.99 6.06 -1.26 -5.01 118.95 117.58 1pea s ARG 307 Ca 0.51 -0.23 -0.18 0.00 -2.50 0.00 0.00 55.73 53.33 1pea s ARG 307 Cb 0.42 -3.09 -0.05 0.00 0.06 0.00 0.00 34.95 32.28 1pea s ARG 307 CO -0.07 0.74 1.64 0.28 -2.50 0.00 0.00 175.30 175.40 1pea h VAL 308 N 3.77 1.18 -0.43 7.11 2.07 -1.94 -0.80 116.25 127.20 1pea h VAL 308 Ca -0.53 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1pea h VAL 308 Cb 1.21 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1pea h VAL 308 CO 0.59 0.19 0.27 -0.08 0.02 0.00 0.00 177.57 178.57 1pea h GLU 309 N 0.31 0.58 -0.07 1.57 4.57 -1.95 0.55 114.58 120.13 1pea h GLU 309 Ca 0.09 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1pea h GLU 309 Cb 0.20 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1pea h GLU 309 CO -0.01 0.41 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.64 1pea h ASP 310 N 0.58 -0.46 -0.22 1.04 3.32 -1.94 -2.26 116.42 116.48 1pea h ASP 310 Ca 0.16 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 1pea h ASP 310 Cb -0.03 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1pea h ASP 310 CO -0.03 -0.20 -0.24 0.58 -1.72 0.00 0.00 179.24 177.62 1pea h VAL 311 N -0.22 1.27 -0.28 -1.35 2.07 -0.43 -3.28 116.25 114.03 1pea h VAL 311 Ca 0.07 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1pea h VAL 311 Cb 0.32 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1pea h VAL 311 CO -0.20 0.44 0.10 -0.61 0.02 0.00 0.00 177.57 177.32 1pea h GLN 312 N 0.60 0.42 -0.93 1.57 4.15 0.43 -2.30 115.11 119.04 1pea h GLN 312 Ca 0.08 -0.08 0.23 0.00 0.77 0.00 0.00 58.65 59.64 1pea h GLN 312 Cb 0.73 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.29 1pea h GLN 312 CO 0.06 0.47 0.62 -0.09 -1.93 0.00 0.00 178.83 177.96 1pea h ARG 313 N 0.29 0.32 0.00 1.69 2.43 -1.48 -0.78 114.38 116.85 1pea h ARG 313 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1pea h ARG 313 Cb 0.21 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1pea h ARG 313 CO -0.00 0.21 -0.68 0.45 -1.51 0.00 0.00 179.97 178.44 1pea h HIS 314 N 0.33 0.00 -0.38 2.20 3.86 -1.58 -3.39 115.15 116.18 1pea h HIS 314 Ca 0.49 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.77 1pea h HIS 314 Cb 1.34 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.74 1pea h HIS 314 CO -0.00 0.00 -0.05 1.25 0.86 0.00 0.00 177.93 179.99 1pea h LEU 315 N 0.00 -0.26 0.00 2.43 7.12 -0.58 -1.50 115.31 122.52 1pea h LEU 315 Ca 0.00 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1pea h LEU 315 Cb 0.86 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1pea h LEU 315 CO 0.00 -0.09 0.00 -1.22 -0.13 0.00 0.00 178.44 177.00 1pea n TYR 316 N -5.25 0.00 0.38 1.25 4.01 -1.26 -3.47 117.16 112.83 1pea n TYR 316 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.83 1pea n TYR 316 Cb 0.21 -0.08 0.09 0.00 -0.31 0.00 0.00 39.34 39.25 1pea n TYR 316 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1pea n ASP 317 N -1.08 2.41 -4.56 7.72 8.00 -0.57 -4.80 116.55 123.68 1pea n ASP 317 Ca 0.18 -1.69 -0.34 0.00 0.71 0.00 0.00 54.79 53.66 1pea n ASP 317 Cb 0.13 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 1pea n ASP 317 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pea s ILE 318 N -1.12 4.08 -0.19 0.53 1.01 -1.17 -5.09 121.20 119.25 1pea s ILE 318 Ca 0.19 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 1pea s ILE 318 Cb 0.12 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1pea s ILE 318 CO 0.18 0.52 -0.02 -1.81 0.00 0.00 0.00 174.94 173.81 1pea s ASP 319 N 0.03 4.73 -0.12 3.58 1.11 -1.26 -4.67 116.67 120.07 1pea s ASP 319 Ca 0.01 -0.21 -0.05 0.00 0.18 0.00 0.00 52.55 52.48 1pea s ASP 319 Cb -0.13 -1.79 -0.04 0.00 1.07 0.00 0.00 42.92 42.03 1pea s ASP 319 CO 0.02 0.09 0.08 -0.63 1.18 0.00 0.00 175.17 175.92 1pea s ILE 320 N 0.84 5.02 -1.14 0.77 -1.09 -0.75 -4.93 121.20 119.91 1pea s ILE 320 Ca -0.00 0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.35 1pea s ILE 320 Cb -0.14 -3.18 0.26 0.00 -1.58 0.00 0.00 42.46 37.82 1pea s ILE 320 CO 0.02 0.59 1.20 -0.67 -1.23 0.00 0.00 174.94 174.85 1pea n ASP 321 N 2.30 5.50 -4.79 3.58 -0.08 -1.26 -0.35 116.55 121.45 1pea n ASP 321 Ca -0.19 -3.04 -0.32 0.00 -1.51 0.00 0.00 54.79 49.73 1pea n ASP 321 Cb 0.54 -1.41 0.04 0.00 2.34 0.00 0.00 41.12 42.63 1pea n ASP 321 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pea s ALA 322 N -0.80 2.56 0.58 -1.67 0.00 -1.06 -4.95 121.76 116.42 1pea s ALA 322 Ca 0.33 0.37 0.30 0.00 0.00 0.00 0.00 51.96 52.96 1pea s ALA 322 Cb -0.08 -3.26 1.43 0.00 0.00 0.00 0.00 23.12 21.22 1pea s ALA 322 CO -0.06 -1.19 1.83 -1.35 0.00 0.00 0.00 175.76 174.99 1pea h PRO 323 N -0.15 0.00 0.04 0.00 0.11 -1.91 -1.28 132.00 128.80 1pea h PRO 323 Ca -0.46 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 1pea h PRO 323 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1pea h PRO 323 CO 0.55 0.00 -1.20 -0.56 -0.21 0.00 0.00 178.00 176.58 1pea h GLN 324 N 0.00 0.08 0.00 1.05 3.07 -1.91 -3.26 115.11 114.14 1pea h GLN 324 Ca 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1pea h GLN 324 Cb 1.51 0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.12 1pea h GLN 324 CO -0.00 0.98 0.00 0.41 0.09 0.00 0.00 178.83 180.31 1pea n GLY 325 N 1.45 -0.96 3.78 0.06 0.00 -0.48 -4.92 105.19 104.11 1pea n GLY 325 Ca -0.06 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1pea n GLY 325 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pea s PRO 326 N -1.96 3.98 0.17 1.61 0.04 -1.26 -2.56 135.00 135.02 1pea s PRO 326 Ca 0.00 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1pea s PRO 326 Cb 0.00 -2.51 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1pea s PRO 326 CO 0.00 -0.34 -0.03 0.14 0.04 0.00 0.00 177.00 176.81 1pea s VAL 327 N -1.58 0.87 0.10 -0.36 -7.23 0.52 -4.82 120.40 107.91 1pea s VAL 327 Ca 0.60 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 1pea s VAL 327 Cb -0.26 -2.06 0.08 0.00 0.56 0.00 0.00 36.38 34.70 1pea s VAL 327 CO 0.32 -0.55 0.66 -0.60 -0.31 0.00 0.00 175.10 174.62 1pea s ARG 328 N -3.86 1.17 -0.22 4.82 3.52 -1.25 -1.81 118.95 121.32 1pea s ARG 328 Ca 0.22 -0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.47 1pea s ARG 328 Cb 0.05 0.54 -0.01 0.00 -1.56 0.00 0.00 34.95 33.97 1pea s ARG 328 CO 0.03 -0.49 -0.05 0.08 -0.81 0.00 0.00 175.30 174.07 1pea s VAL 329 N -3.17 3.30 0.09 7.11 1.01 -1.26 -1.14 120.40 126.33 1pea s VAL 329 Ca -0.01 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 1pea s VAL 329 Cb -0.01 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 1pea s VAL 329 CO -0.08 0.42 1.38 -1.61 0.00 0.00 0.00 175.10 175.21 1pea s GLU 330 N 1.47 4.32 0.17 2.72 0.41 0.11 -4.55 118.70 123.35 1pea s GLU 330 Ca 0.06 2.03 0.25 0.00 -0.41 0.00 0.00 54.97 56.90 1pea s GLU 330 Cb -0.14 -3.33 0.91 0.00 -1.78 0.00 0.00 34.13 29.79 1pea s GLU 330 CO -0.04 -0.45 1.76 -2.13 -0.49 0.00 0.00 175.26 173.91 1pea n ARG 331 N 4.25 0.18 0.20 1.61 0.63 -1.26 -0.92 116.66 121.35 1pea n ARG 331 Ca 0.12 0.24 0.12 0.00 -0.92 0.00 0.00 57.85 57.41 1pea n ARG 331 Cb 0.43 -1.75 0.22 0.00 0.45 0.00 0.00 32.46 31.81 1pea n ARG 331 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1pea h GLN 332 N 0.00 0.00 0.00 -0.14 3.07 -1.96 -3.40 115.11 112.69 1pea h GLN 332 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pea h GLN 332 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1pea h GLN 332 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 178.83 179.19 1pea n ASN 333 N -2.94 0.00 -1.10 0.06 0.23 -1.19 -5.03 115.26 105.28 1pea n ASN 333 Ca 0.04 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.58 52.95 1pea n ASN 333 Cb 0.51 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.15 1pea n ASN 333 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1pea n ASN 334 N 0.00 -5.00 -5.04 0.53 4.13 -0.09 -4.81 115.26 104.98 1pea n ASN 334 Ca 0.00 0.36 -0.20 0.00 1.68 0.00 0.00 54.58 56.42 1pea n ASN 334 Cb 0.39 -3.77 0.06 0.00 -1.54 0.00 0.00 39.78 34.93 1pea n ASN 334 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1pea s HIS 335 N -2.45 1.32 0.09 3.10 3.76 -1.25 -0.87 115.29 118.99 1pea s HIS 335 Ca 0.00 -0.74 0.09 0.00 -0.15 0.00 0.00 55.06 54.26 1pea s HIS 335 Cb 0.00 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1pea s HIS 335 CO 0.00 -1.20 -0.23 -1.12 -0.85 0.00 0.00 174.74 171.34 1pea s SER 336 N -4.68 3.49 -0.18 1.40 0.01 -1.09 -0.71 113.70 111.93 1pea s SER 336 Ca 0.62 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.99 1pea s SER 336 Cb -0.05 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1pea s SER 336 CO 0.39 0.22 1.01 -0.13 0.41 0.00 0.00 173.24 175.14 1pea s ARG 337 N -1.72 4.32 0.10 12.44 0.52 -0.29 -3.97 118.95 130.33 1pea s ARG 337 Ca 0.14 1.34 0.03 0.00 -0.52 0.00 0.00 55.73 56.72 1pea s ARG 337 Cb -0.10 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.73 1pea s ARG 337 CO 0.06 -0.50 -0.09 -0.51 0.02 0.00 0.00 175.30 174.28 1pea s LEU 338 N 2.70 2.43 0.68 2.53 1.43 -0.99 -3.88 118.68 123.58 1pea s LEU 338 Ca 0.45 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1pea s LEU 338 Cb -0.16 -0.23 0.05 0.00 0.03 0.00 0.00 46.19 45.88 1pea s LEU 338 CO 0.11 -0.32 0.99 -0.44 0.23 0.00 0.00 176.35 176.92 1pea s SER 339 N -2.59 4.99 -0.04 2.29 0.01 -1.26 0.50 113.70 117.60 1pea s SER 339 Ca 0.07 0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.83 1pea s SER 339 Cb -0.01 -1.25 0.03 0.00 0.21 0.00 0.00 66.02 65.01 1pea s SER 339 CO -0.01 -1.48 0.09 -0.55 0.41 0.00 0.00 173.24 171.70 1pea s SER 340 N -4.47 0.14 0.01 2.44 0.15 -1.26 -3.97 113.70 106.73 1pea s SER 340 Ca 0.59 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.46 1pea s SER 340 Cb -0.11 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1pea s SER 340 CO 0.45 -0.16 -0.17 -0.13 1.20 0.00 0.00 173.24 174.43 1pea s ARG 341 N 1.30 1.29 -0.33 5.44 0.52 -0.50 -0.89 118.95 125.78 1pea s ARG 341 Ca -0.07 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1pea s ARG 341 Cb -0.12 -1.29 0.07 0.00 0.52 0.00 0.00 34.95 34.13 1pea s ARG 341 CO -0.04 0.34 0.05 0.42 0.02 0.00 0.00 175.30 176.09 1pea s ILE 342 N -0.54 2.93 0.29 1.52 1.01 -0.49 -1.79 121.20 124.14 1pea s ILE 342 Ca 0.06 -1.69 0.07 0.00 0.00 0.00 0.00 60.65 59.09 1pea s ILE 342 Cb -0.07 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1pea s ILE 342 CO 0.00 -0.31 0.30 0.00 0.00 0.00 0.00 174.94 174.93 1pea s ALA 343 N 1.17 3.84 -0.04 9.38 0.00 -0.83 0.54 121.76 135.82 1pea s ALA 343 Ca -0.00 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.50 1pea s ALA 343 Cb -0.20 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.54 1pea s ALA 343 CO -0.03 0.11 -0.10 -2.00 0.00 0.00 0.00 175.76 173.74 1pea s GLU 344 N -3.98 1.24 0.26 0.00 2.12 0.27 -3.16 118.70 115.45 1pea s GLU 344 Ca 0.38 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 1pea s GLU 344 Cb -0.08 -1.10 -0.09 0.00 0.26 0.00 0.00 34.13 33.12 1pea s GLU 344 CO 0.27 0.09 1.03 0.42 -0.54 0.00 0.00 175.26 176.54 1pea s ILE 345 N 0.35 3.75 0.89 -3.70 1.01 -1.00 0.12 121.20 122.63 1pea s ILE 345 Ca -0.07 1.76 -0.11 0.00 0.00 0.00 0.00 60.65 62.23 1pea s ILE 345 Cb -0.11 -4.12 0.13 0.00 0.01 0.00 0.00 42.46 38.37 1pea s ILE 345 CO 0.01 0.42 1.09 -1.81 0.00 0.00 0.00 174.94 174.65 1pea s ASP 346 N -0.97 3.40 0.51 3.58 1.01 0.25 -2.19 116.67 122.27 1pea s ASP 346 Ca 0.43 1.68 0.32 0.00 0.71 0.00 0.00 52.55 55.70 1pea s ASP 346 Cb -0.29 -2.33 1.31 0.00 1.01 0.00 0.00 42.92 42.61 1pea s ASP 346 CO 0.37 -2.71 1.95 0.00 0.21 0.00 0.00 175.17 174.98 1pea h ALA 347 N -1.60 1.00 -0.44 5.23 0.00 -1.89 -1.29 119.26 120.28 1pea h ALA 347 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1pea h ALA 347 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1pea h ALA 347 CO 0.51 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.63 1pea n ARG 348 N -2.98 3.73 -0.93 0.00 0.63 -1.26 -4.58 116.66 111.27 1pea n ARG 348 Ca 0.01 -2.90 0.00 0.00 -0.92 0.00 0.00 57.85 54.04 1pea n ARG 348 Cb 0.30 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.26 1pea n ARG 348 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pea n GLY 349 N 0.22 0.48 3.88 5.14 0.00 -0.49 -5.06 105.19 109.37 1pea n GLY 349 Ca 0.23 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1pea n GLY 349 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pea s VAL 350 N -2.00 5.35 -0.34 1.61 1.01 -1.26 -4.75 120.40 120.03 1pea s VAL 350 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 1pea s VAL 350 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1pea s VAL 350 CO 0.00 0.38 1.02 -0.36 0.00 0.00 0.00 175.10 176.14 1pea s PHE 351 N -1.26 3.12 -0.60 5.22 0.40 -1.26 0.88 117.98 124.48 1pea s PHE 351 Ca 0.25 1.04 -0.16 0.00 -0.60 0.00 0.00 56.93 57.45 1pea s PHE 351 Cb -0.12 -3.68 0.14 0.00 0.51 0.00 0.00 43.02 39.86 1pea s PHE 351 CO 0.16 -0.79 0.58 -0.65 0.70 0.00 0.00 175.22 175.22 1pea s GLN 352 N 3.59 3.10 0.24 0.44 -1.52 0.33 -4.81 119.66 121.04 1pea s GLN 352 Ca 0.43 -1.77 -0.30 0.00 -1.95 0.00 0.00 55.36 51.76 1pea s GLN 352 Cb -0.12 -4.32 -0.14 0.00 -0.22 0.00 0.00 33.01 28.20 1pea s GLN 352 CO 0.17 -1.36 1.20 0.28 -0.25 0.00 0.00 175.29 175.33 1pea n VAL 353 N 5.10 1.34 -0.02 1.09 0.31 -1.26 0.95 118.33 125.85 1pea n VAL 353 Ca -0.09 -0.33 -0.02 0.00 -0.01 0.00 0.00 64.34 63.89 1pea n VAL 353 Cb 0.42 -1.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.18 1pea n VAL 353 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pea n ARG 354 N 1.42 2.29 -3.91 5.55 5.12 0.19 -4.78 116.66 122.53 1pea n ARG 354 Ca 0.11 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.95 1pea n ARG 354 Cb 0.30 -1.08 -0.08 0.00 -1.16 0.00 0.00 32.46 30.43 1pea n ARG 354 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1pea s TRP 355 N -2.08 0.21 -0.15 -1.55 -0.00 -0.85 -4.99 118.94 109.53 1pea s TRP 355 Ca -0.03 -0.59 -0.12 0.00 -0.00 0.00 0.00 56.10 55.36 1pea s TRP 355 Cb 0.01 -0.13 0.05 0.00 -0.00 0.00 0.00 33.47 33.39 1pea s TRP 355 CO 0.12 -0.45 0.39 -1.14 -0.00 0.00 0.00 176.95 175.88 1pea s GLN 356 N -3.31 0.43 0.23 5.86 0.74 -1.26 -1.39 119.66 120.96 1pea s GLN 356 Ca 0.01 0.62 -0.30 0.00 0.05 0.00 0.00 55.36 55.74 1pea s GLN 356 Cb 0.03 0.13 -0.10 0.00 1.10 0.00 0.00 33.01 34.17 1pea s GLN 356 CO -0.08 -0.09 1.46 -1.54 -0.55 0.00 0.00 175.29 174.49 1pea s SER 357 N 0.62 6.64 0.55 6.67 1.04 -0.07 -4.89 113.70 124.26 1pea s SER 357 Ca -0.03 2.65 0.34 0.00 0.48 0.00 0.00 55.95 59.39 1pea s SER 357 Cb -0.05 -2.62 1.51 0.00 0.10 0.00 0.00 66.02 64.96 1pea s SER 357 CO -0.04 -0.72 1.82 -0.65 0.98 0.00 0.00 173.24 174.63 1pea h PRO 358 N 5.39 0.00 -3.17 4.02 0.11 -2.01 -3.43 132.00 132.91 1pea h PRO 358 Ca -0.45 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1pea h PRO 358 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1pea h PRO 358 CO 0.80 0.00 0.13 -1.83 -0.21 0.00 0.00 178.00 176.89 1pea s GLU 359 N -4.90 1.58 0.45 1.05 -1.05 -1.26 -5.14 118.70 109.42 1pea s GLU 359 Ca -0.05 -0.92 -0.25 0.00 -0.15 0.00 0.00 54.97 53.61 1pea s GLU 359 Cb 0.22 0.56 -0.08 0.00 -0.44 0.00 0.00 34.13 34.39 1pea s GLU 359 CO 0.76 -0.70 1.33 -2.14 0.95 0.00 0.00 175.26 175.46 1pea s PRO 360 N -3.90 3.70 -0.08 -4.83 0.02 -1.26 -4.76 135.00 123.90 1pea s PRO 360 Ca 0.11 2.19 -0.25 0.00 0.02 0.00 0.00 61.00 63.06 1pea s PRO 360 Cb -0.03 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.87 1pea s PRO 360 CO 0.02 -0.72 0.78 0.42 -0.33 0.00 0.00 177.00 177.16 1pea s ILE 361 N -1.29 4.98 0.43 2.83 1.01 0.18 -4.75 121.20 124.59 1pea s ILE 361 Ca 0.62 1.59 -0.24 0.00 0.00 0.00 0.00 60.65 62.61 1pea s ILE 361 Cb -0.39 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 37.90 1pea s ILE 361 CO 0.49 0.19 1.18 -0.13 0.00 0.00 0.00 174.94 176.66 1pea s ARG 362 N 1.14 3.89 0.20 2.79 0.52 -1.26 -2.36 118.95 123.88 1pea s ARG 362 Ca 0.40 1.83 -0.30 0.00 -0.52 0.00 0.00 55.73 57.14 1pea s ARG 362 Cb -0.18 -2.54 -0.08 0.00 0.52 0.00 0.00 34.95 32.67 1pea s ARG 362 CO 0.19 -0.45 1.06 -1.25 0.02 0.00 0.00 175.30 174.86 1pea s PRO 363 N -2.50 4.66 -0.45 3.54 0.04 -1.25 -4.92 135.00 134.12 1pea s PRO 363 Ca 0.60 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.35 1pea s PRO 363 Cb -0.30 -3.27 0.16 0.00 0.04 0.00 0.00 34.50 31.14 1pea s PRO 363 CO 0.37 0.20 0.34 0.34 0.04 0.00 0.00 177.00 178.30 1pea s ASP 364 N -0.46 2.23 0.49 6.66 2.15 -1.26 -5.01 116.67 121.47 1pea s ASP 364 Ca 0.47 -3.07 0.19 0.00 0.43 0.00 0.00 52.55 50.57 1pea s ASP 364 Cb -0.29 -0.65 1.22 0.00 -0.30 0.00 0.00 42.92 42.91 1pea s ASP 364 CO 0.35 -0.18 2.00 1.55 -0.17 0.00 0.00 175.17 178.73 1pea h PRO 365 N 5.81 0.17 -4.90 4.34 0.13 -1.94 -3.33 132.00 132.28 1pea h PRO 365 Ca 0.21 -0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 64.63 1pea h PRO 365 Cb 0.89 -0.04 -0.18 0.00 0.13 0.00 0.00 31.00 31.80 1pea h PRO 365 CO 0.42 0.11 0.69 -0.47 -0.23 0.00 0.00 178.00 178.53 1pea s TYR 366 N -5.18 3.16 -0.62 1.56 5.04 -1.26 -1.43 117.35 118.61 1pea s TYR 366 Ca -0.06 -1.38 -0.26 0.00 -2.44 0.00 0.00 57.07 52.93 1pea s TYR 366 Cb 0.19 -4.22 0.04 0.00 0.35 0.00 0.00 41.96 38.33 1pea s TYR 366 CO 0.73 -1.43 1.10 0.08 -1.34 0.00 0.00 175.55 174.69 1pea s VAL 367 N 2.49 4.10 -0.49 3.14 1.01 -1.25 -4.97 120.40 124.43 1pea s VAL 367 Ca 0.29 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 1pea s VAL 367 Cb -0.07 -4.71 0.12 0.00 0.00 0.00 0.00 36.38 31.72 1pea s VAL 367 CO -0.07 -1.42 0.38 -0.69 0.00 0.00 0.00 175.10 173.30 1pea s VAL 368 N 4.71 4.36 0.37 2.92 1.01 -1.26 -5.01 120.40 127.50 1pea s VAL 368 Ca 0.34 -1.79 0.17 0.00 0.00 0.00 0.00 61.98 60.70 1pea s VAL 368 Cb -0.10 -3.86 0.37 0.00 0.00 0.00 0.00 36.38 32.79 1pea s VAL 368 CO 0.19 -0.80 1.71 1.62 0.00 0.00 0.00 175.10 177.82 1pea h VAL 369 N 6.06 0.41 0.00 2.92 3.04 -1.95 -1.76 116.25 124.97 1pea h VAL 369 Ca -0.21 -0.13 -0.09 0.00 -1.01 0.00 0.00 66.70 65.26 1pea h VAL 369 Cb 1.07 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1pea h VAL 369 CO 0.88 0.07 -0.43 1.12 -1.01 0.00 0.00 177.57 178.20 1pea h HIS 370 N 0.38 0.00 -0.25 3.17 2.07 -1.96 -2.03 115.15 116.54 1pea h HIS 370 Ca 0.68 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.20 1pea h HIS 370 Cb 1.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.62 1pea h HIS 370 CO -0.01 0.43 0.00 0.09 -3.07 0.00 0.00 177.93 175.37 1pea n ASN 371 N -3.76 1.74 -4.87 3.10 4.13 -0.67 -4.89 115.26 110.04 1pea n ASN 371 Ca -0.01 -2.09 -0.33 0.00 1.68 0.00 0.00 54.58 53.83 1pea n ASN 371 Cb 0.49 -0.28 -0.05 0.00 -1.54 0.00 0.00 39.78 38.40 1pea n ASN 371 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1pea s LEU 372 N -0.99 4.28 0.42 3.41 2.96 -0.76 -4.98 118.68 123.01 1pea s LEU 372 Ca 0.18 0.87 -0.25 0.00 -0.22 0.00 0.00 54.13 54.71 1pea s LEU 372 Cb 0.11 -3.32 -0.08 0.00 0.50 0.00 0.00 46.19 43.40 1pea s LEU 372 CO 0.10 0.06 1.19 -1.81 -1.32 0.00 0.00 176.35 174.57 1pea s ASP 373 N -2.04 6.37 -0.23 3.68 1.01 -1.26 -4.97 116.67 119.24 1pea s ASP 373 Ca 0.40 2.37 -0.07 0.00 0.71 0.00 0.00 52.55 55.96 1pea s ASP 373 Cb -0.13 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1pea s ASP 373 CO 0.20 -0.78 0.06 -1.81 0.21 0.00 0.00 175.17 173.05 1pea s ASP 374 N -1.16 5.24 0.00 0.27 1.11 -1.26 -5.01 116.67 115.86 1pea s ASP 374 Ca 0.59 -0.13 0.27 0.00 0.18 0.00 0.00 52.55 53.47 1pea s ASP 374 Cb -0.31 -1.93 1.62 0.00 1.07 0.00 0.00 42.92 43.37 1pea s ASP 374 CO 0.39 0.03 1.97 0.79 1.18 0.00 0.00 175.17 179.52