#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ary n VAL 10 N 0.00 0.34 -4.83 0.44 0.31 0.50 -4.41 118.33 110.68 1ary n VAL 10 Ca 0.00 -0.46 -0.33 0.00 -0.01 0.00 0.00 64.34 63.55 1ary n VAL 10 Cb 0.00 -0.19 -0.15 0.00 -0.91 0.00 0.00 33.84 32.59 1ary n VAL 10 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ary s THR 11 N -2.02 2.71 0.37 2.52 2.01 -1.26 0.26 115.64 120.24 1ary s THR 11 Ca 0.51 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 1ary s THR 11 Cb -0.31 -2.12 -0.07 0.00 0.01 0.00 0.00 72.50 70.01 1ary s THR 11 CO 0.72 0.53 0.75 0.00 -0.69 0.00 0.00 174.62 175.92 1ary n PRO 13 N -0.96 -0.04 -0.01 0.00 -0.02 -1.26 0.17 135.00 132.87 1ary n PRO 13 Ca 0.03 1.07 0.08 0.00 -2.02 0.00 0.00 63.50 62.65 1ary n PRO 13 Cb 0.54 -1.99 0.42 0.00 -0.02 0.00 0.00 33.50 32.44 1ary n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ary n GLY 14 N -1.29 -0.85 0.91 -1.23 0.00 -1.26 -4.89 105.19 96.58 1ary n GLY 14 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ary n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ary n GLY 15 N 0.77 1.52 3.80 -0.02 0.00 0.13 -5.04 105.19 106.34 1ary n GLY 15 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1ary n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ary s GLN 16 N -0.72 3.64 -0.04 1.61 1.11 -1.25 -4.79 119.66 119.22 1ary s GLN 16 Ca 0.00 1.36 0.01 0.00 0.01 0.00 0.00 55.36 56.75 1ary s GLN 16 Cb 0.00 -2.07 -0.03 0.00 -1.01 0.00 0.00 33.01 29.90 1ary s GLN 16 CO 0.00 -0.57 -0.04 -1.12 0.01 0.00 0.00 175.29 173.57 1ary s SER 17 N -2.12 4.84 0.22 5.90 0.01 -1.26 -0.30 113.70 121.00 1ary s SER 17 Ca 0.67 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1ary s SER 17 Cb -0.17 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 1ary s SER 17 CO 0.24 0.32 0.14 0.28 0.41 0.00 0.00 173.24 174.64 1ary s THR 18 N -0.94 0.03 0.00 1.44 -1.32 0.14 -4.86 115.64 110.13 1ary s THR 18 Ca 0.15 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.39 1ary s THR 18 Cb -0.11 -2.51 -0.15 0.00 -1.51 0.00 0.00 72.50 68.22 1ary s THR 18 CO 0.05 0.00 1.10 0.28 -2.21 0.00 0.00 174.62 173.84 1ary h SER 19 N 2.55 -0.53 -2.80 8.08 0.02 -1.89 0.52 113.55 119.50 1ary h SER 19 Ca -0.35 -0.08 -0.61 0.00 -0.84 0.00 0.00 61.79 59.91 1ary h SER 19 Cb 1.25 0.14 -0.16 0.00 0.14 0.00 0.00 62.40 63.76 1ary h SER 19 CO 0.52 -0.15 -0.79 0.21 -1.14 0.00 0.00 176.83 175.48 1ary s ASN 20 N -4.84 3.38 0.40 3.07 3.84 -1.26 -4.14 114.94 115.39 1ary s ASN 20 Ca -0.13 -0.95 0.16 0.00 0.21 0.00 0.00 52.86 52.15 1ary s ASN 20 Cb 0.02 -0.26 0.83 0.00 -0.55 0.00 0.00 41.25 41.29 1ary s ASN 20 CO 0.46 0.05 1.85 0.77 -2.79 0.00 0.00 177.10 177.44 1ary h SER 21 N 2.77 0.00 0.14 -4.21 4.64 -1.98 -2.26 113.55 112.65 1ary h SER 21 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1ary h SER 21 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ary h SER 21 CO 0.54 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.83 1ary n GLN 22 N -3.94 0.14 0.13 4.77 6.02 -1.26 -2.36 117.38 120.87 1ary n GLN 22 Ca -0.02 0.58 0.10 0.00 -0.01 0.00 0.00 57.00 57.66 1ary n GLN 22 Cb 0.39 -1.90 0.03 0.00 1.02 0.00 0.00 30.24 29.78 1ary n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ary h VAL 25 N 0.85 0.98 0.00 0.00 3.04 -1.80 -1.88 116.25 117.45 1ary h VAL 25 Ca 0.40 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.95 1ary h VAL 25 Cb 0.33 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1ary h VAL 25 CO -0.23 0.04 -0.06 -0.50 -1.01 0.00 0.00 177.57 175.81 1ary h TRP 26 N 0.00 0.00 0.00 3.17 4.06 -1.54 0.20 115.95 121.84 1ary h TRP 26 Ca -0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 1ary h TRP 26 Cb 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1ary h TRP 26 CO 0.00 0.06 -0.35 0.74 -3.56 0.00 0.00 178.44 175.32 1ary h PHE 27 N 0.00 0.00 0.04 0.49 0.04 -1.43 0.75 116.94 116.84 1ary h PHE 27 Ca -0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 1ary h PHE 27 Cb 0.37 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.54 1ary h PHE 27 CO 0.00 0.35 -1.11 -0.44 -0.60 0.00 0.00 178.31 176.51 1ary h ASP 28 N 0.00 0.87 -0.38 2.17 3.32 -1.10 -2.63 116.42 118.66 1ary h ASP 28 Ca -0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 57.03 56.28 1ary h ASP 28 Cb 0.64 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1ary h ASP 28 CO 0.05 1.54 0.14 0.58 -1.72 0.00 0.00 179.24 179.82 1ary h VAL 29 N 0.34 1.20 -0.36 -1.35 2.07 -1.20 -2.39 116.25 114.57 1ary h VAL 29 Ca -0.15 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.81 1ary h VAL 29 Cb 1.77 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.37 1ary h VAL 29 CO 0.21 0.23 -0.18 0.25 0.02 0.00 0.00 177.57 178.10 1ary h LEU 30 N 0.47 -0.62 -0.36 2.57 5.85 -0.79 -0.91 115.31 121.53 1ary h LEU 30 Ca 0.13 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1ary h LEU 30 Cb 0.22 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1ary h LEU 30 CO -0.01 -0.22 0.22 0.44 -0.34 0.00 0.00 178.44 178.54 1ary h ASP 31 N -0.12 0.37 -0.26 1.25 3.32 -1.26 -1.81 116.42 117.90 1ary h ASP 31 Ca 0.18 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ary h ASP 31 Cb 0.40 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1ary h ASP 31 CO -0.44 0.27 0.16 -0.78 -1.72 0.00 0.00 179.24 176.73 1ary h ASP 32 N 0.45 0.32 -0.62 6.45 1.82 -0.94 -2.05 116.42 121.86 1ary h ASP 32 Ca 0.14 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1ary h ASP 32 Cb -0.03 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 39.88 1ary h ASP 32 CO -0.05 0.27 0.30 -0.07 -1.61 0.00 0.00 179.24 178.08 1ary h LEU 33 N 0.34 0.80 -0.30 2.28 3.38 -0.95 0.13 115.31 120.99 1ary h LEU 33 Ca 0.10 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1ary h LEU 33 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ary h LEU 33 CO -0.02 0.70 -0.11 1.56 0.09 0.00 0.00 178.44 180.67 1ary h GLN 34 N 0.84 0.60 -0.02 1.13 1.08 -1.22 0.18 115.11 117.71 1ary h GLN 34 Ca 0.21 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1ary h GLN 34 Cb 0.11 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1ary h GLN 34 CO -0.03 0.81 -0.01 1.15 -0.95 0.00 0.00 178.83 179.80 1ary h THR 35 N 0.36 1.37 0.00 -0.54 2.02 -1.34 0.27 112.91 115.04 1ary h THR 35 Ca 0.07 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1ary h THR 35 Cb 0.61 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1ary h THR 35 CO 0.04 0.30 0.00 0.59 0.37 0.00 0.00 175.52 176.81 1ary n ASN 36 N -4.83 0.00 -0.26 4.18 5.03 0.44 -2.73 115.26 117.09 1ary n ASN 36 Ca -0.08 0.03 0.06 0.00 0.87 0.00 0.00 54.58 55.47 1ary n ASN 36 Cb 0.25 -0.42 0.20 0.00 -1.02 0.00 0.00 39.78 38.79 1ary n ASN 36 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1ary h PHE 37 N 0.00 0.36 -0.46 3.10 3.57 -1.49 0.04 116.94 122.05 1ary h PHE 37 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ary h PHE 37 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1ary h PHE 37 CO 0.00 -0.06 0.00 0.66 -2.23 0.00 0.00 178.31 176.68 1ary n TYR 38 N -5.12 0.61 -3.78 0.41 4.01 0.60 -4.85 117.16 109.04 1ary n TYR 38 Ca 0.15 -0.31 -0.30 0.00 -0.16 0.00 0.00 57.90 57.29 1ary n TYR 38 Cb 0.48 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.53 1ary n TYR 38 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ary n GLN 39 N 1.04 -1.95 -1.81 -0.72 6.02 -0.00 -1.37 117.38 118.58 1ary n GLN 39 Ca 0.18 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 1ary n GLN 39 Cb 0.46 -4.21 0.00 0.00 1.02 0.00 0.00 30.24 27.51 1ary n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ary n GLY 40 N -1.78 0.91 3.75 1.08 0.00 0.76 -4.31 105.19 105.59 1ary n GLY 40 Ca -0.17 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 1ary n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ary n SER 41 N 0.90 -5.45 -4.90 1.61 7.64 -0.13 -4.99 113.62 108.30 1ary n SER 41 Ca 0.00 -0.66 -0.28 0.00 1.01 0.00 0.00 58.87 58.94 1ary n SER 41 Cb 0.37 -4.48 -0.01 0.00 -1.01 0.00 0.00 64.21 59.08 1ary n SER 41 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ary s LYS 42 N -6.43 3.61 -0.89 1.43 -0.14 -0.47 -4.76 119.74 112.09 1ary s LYS 42 Ca 0.60 0.29 -0.01 0.00 -1.36 0.00 0.00 55.97 55.49 1ary s LYS 42 Cb -0.28 -2.38 0.24 0.00 -1.68 0.00 0.00 37.83 33.73 1ary s LYS 42 CO 0.78 -0.16 0.88 0.00 -0.76 0.00 0.00 175.35 176.09 1ary n GLU 44 N 1.95 2.33 -0.31 0.00 1.02 -1.26 -4.84 120.64 119.53 1ary n GLU 44 Ca 0.24 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.52 1ary n GLU 44 Cb 0.37 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 32.10 1ary n GLU 44 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ary h SER 45 N 0.00 -0.01 -0.90 1.62 0.87 -1.73 -2.04 113.55 111.35 1ary h SER 45 Ca 0.00 0.21 0.16 0.00 -1.23 0.00 0.00 61.79 60.92 1ary h SER 45 Cb 0.00 0.28 -0.10 0.00 -0.44 0.00 0.00 62.40 62.15 1ary h SER 45 CO 0.00 -0.19 0.50 -0.65 -0.53 0.00 0.00 176.83 175.96 1ary h PRO 46 N 0.18 0.67 -0.14 2.24 0.11 -1.91 -0.18 132.00 132.98 1ary h PRO 46 Ca 0.58 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.63 1ary h PRO 46 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1ary h PRO 46 CO -0.69 0.44 0.02 0.28 -0.21 0.00 0.00 178.00 177.85 1ary h VAL 47 N 0.69 1.22 -0.91 3.15 2.07 -1.69 -0.71 116.25 120.06 1ary h VAL 47 Ca 0.50 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1ary h VAL 47 Cb 0.71 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1ary h VAL 47 CO -0.36 0.20 0.51 0.03 0.02 0.00 0.00 177.57 177.97 1ary h ARG 48 N 0.01 1.27 -0.29 1.57 3.08 -1.26 -1.07 114.38 117.70 1ary h ARG 48 Ca 0.04 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1ary h ARG 48 Cb 0.29 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ary h ARG 48 CO 0.00 0.92 -0.06 0.87 -1.07 0.00 0.00 179.97 180.63 1ary h LYS 49 N 1.27 0.55 -0.47 0.04 1.79 -0.98 -2.76 116.57 116.01 1ary h LYS 49 Ca 0.32 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1ary h LYS 49 Cb 0.01 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1ary h LYS 49 CO -0.05 0.74 0.24 0.97 -1.08 0.00 0.00 179.45 180.27 1ary h ILE 50 N 0.31 1.15 -0.30 1.86 -0.00 -0.72 -1.60 117.51 118.21 1ary h ILE 50 Ca 0.07 -0.40 -0.07 0.00 -0.00 0.00 0.00 64.86 64.47 1ary h ILE 50 Cb 0.53 0.53 -0.02 0.00 -0.00 0.00 0.00 36.82 37.87 1ary h ILE 50 CO 0.03 0.17 -0.11 -0.07 -0.00 0.00 0.00 178.15 178.16 1ary h LEU 51 N 0.65 0.50 -0.33 2.19 3.38 -0.98 -0.64 115.31 120.08 1ary h LEU 51 Ca 0.17 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1ary h LEU 51 Cb 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ary h LEU 51 CO -0.03 0.65 -0.06 0.03 0.09 0.00 0.00 178.44 179.12 1ary h ARG 52 N 0.48 0.62 -0.79 1.13 3.08 -1.11 -3.18 114.38 114.61 1ary h ARG 52 Ca 0.09 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1ary h ARG 52 Cb 0.49 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1ary h ARG 52 CO 0.03 0.78 0.44 0.82 -1.07 0.00 0.00 179.97 180.97 1ary h ILE 53 N 0.40 1.23 -0.56 2.04 2.04 -0.60 -0.49 117.51 121.58 1ary h ILE 53 Ca 0.09 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1ary h ILE 53 Cb 0.54 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1ary h ILE 53 CO 0.03 0.25 0.21 1.62 0.00 0.00 0.00 178.15 180.26 1ary h VAL 54 N 1.09 1.23 0.25 1.67 3.04 -1.19 0.15 116.25 122.47 1ary h VAL 54 Ca 0.28 -0.72 -0.01 0.00 -1.01 0.00 0.00 66.70 65.24 1ary h VAL 54 Cb 0.02 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1ary h VAL 54 CO -0.05 0.27 -0.12 0.15 -1.01 0.00 0.00 177.57 176.82 1ary h PHE 55 N 0.76 -0.31 0.00 3.17 3.57 -1.50 -0.90 116.94 121.73 1ary h PHE 55 Ca 0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1ary h PHE 55 Cb 0.22 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1ary h PHE 55 CO 0.01 -0.04 -0.18 0.45 -2.23 0.00 0.00 178.31 176.32 1ary h HIS 56 N -0.54 0.00 -0.03 0.41 3.86 -0.92 -0.14 115.15 117.79 1ary h HIS 56 Ca -0.03 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 1ary h HIS 56 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1ary h HIS 56 CO -0.00 0.18 -0.25 0.22 0.86 0.00 0.00 177.93 178.94 1ary h ASP 57 N 0.00 0.28 0.07 2.45 3.58 -0.58 -3.36 116.42 118.86 1ary h ASP 57 Ca -0.00 -0.69 -0.18 0.00 0.42 0.00 0.00 57.03 56.58 1ary h ASP 57 Cb 0.43 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 1ary h ASP 57 CO 0.02 0.93 -0.65 0.00 -2.88 0.00 0.00 179.24 176.66 1ary h ALA 58 N 0.36 0.59 0.00 -0.78 0.00 -0.66 -3.19 119.26 115.58 1ary h ALA 58 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ary h ALA 58 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ary h ALA 58 CO 0.05 0.71 0.00 1.51 0.00 0.00 0.00 179.25 181.53 1ary n ILE 59 N -3.91 0.85 -2.16 0.00 0.13 -0.11 -3.97 119.36 110.19 1ary n ILE 59 Ca -0.04 0.21 -0.43 0.00 -1.10 0.00 0.00 62.75 61.40 1ary n ILE 59 Cb 0.66 -0.98 0.00 0.00 -0.84 0.00 0.00 39.64 38.49 1ary n ILE 59 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1ary n GLY 60 N -0.08 4.03 3.43 4.50 0.00 -1.20 -4.72 105.19 111.15 1ary n GLY 60 Ca 0.05 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 1ary n GLY 60 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ary s PHE 61 N 2.57 -0.95 -0.25 1.61 5.36 -1.24 -1.80 117.98 123.27 1ary s PHE 61 Ca 0.46 1.80 -0.02 0.00 -0.96 0.00 0.00 56.93 58.20 1ary s PHE 61 Cb 0.09 0.49 0.11 0.00 -0.34 0.00 0.00 43.02 43.37 1ary s PHE 61 CO -0.02 -0.51 0.24 0.45 -1.46 0.00 0.00 175.22 173.91 1ary s SER 62 N 2.28 1.87 0.30 6.13 0.15 -0.29 -4.49 113.70 119.65 1ary s SER 62 Ca -0.06 -0.63 -0.01 0.00 0.70 0.00 0.00 55.95 55.95 1ary s SER 62 Cb -0.10 0.31 0.48 0.00 -1.71 0.00 0.00 66.02 65.00 1ary s SER 62 CO -0.16 -0.37 1.96 -0.65 1.20 0.00 0.00 173.24 175.22 1ary h PRO 63 N 8.31 1.05 -0.76 5.44 0.11 -1.88 -2.15 132.00 142.12 1ary h PRO 63 Ca -0.16 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.95 1ary h PRO 63 Cb 1.10 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 1ary h PRO 63 CO 0.33 0.69 0.44 0.00 -0.21 0.00 0.00 178.00 179.26 1ary h ALA 64 N 1.50 1.03 -0.33 -0.75 0.00 -1.95 0.82 119.26 119.58 1ary h ALA 64 Ca 0.32 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1ary h ALA 64 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ary h ALA 64 CO -0.09 0.14 -0.01 -0.07 0.00 0.00 0.00 179.25 179.22 1ary h LEU 65 N 0.80 0.58 -0.59 0.00 4.07 -1.79 -1.15 115.31 117.23 1ary h LEU 65 Ca 0.34 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1ary h LEU 65 Cb 0.20 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.75 1ary h LEU 65 CO -0.19 0.75 0.37 0.74 -1.08 0.00 0.00 178.44 179.03 1ary h THR 66 N 0.39 1.08 -0.71 0.22 2.02 -0.77 -0.28 112.91 114.86 1ary h THR 66 Ca 0.09 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1ary h THR 66 Cb 0.46 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1ary h THR 66 CO 0.02 0.13 0.39 0.00 0.37 0.00 0.00 175.52 176.43 1ary h ALA 67 N 1.25 1.35 0.00 6.16 0.00 -0.57 0.12 119.26 127.57 1ary h ALA 67 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ary h ALA 67 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1ary h ALA 67 CO -0.09 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1ary n ALA 68 N -2.43 2.39 -0.83 0.00 0.00 -0.46 -4.85 120.51 114.32 1ary n ALA 68 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ary n ALA 68 Cb 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1ary n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ary n GLY 69 N 0.39 0.60 3.94 0.00 0.00 0.41 -5.06 105.19 105.48 1ary n GLY 69 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1ary n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ary s GLN 70 N -0.17 2.75 0.01 1.61 -0.21 -0.16 -5.00 119.66 118.49 1ary s GLN 70 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 55.36 53.76 1ary s GLN 70 Cb 0.00 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 1ary s GLN 70 CO 0.00 -0.16 1.14 0.12 -2.12 0.00 0.00 175.29 174.27 1ary s PHE 71 N -2.36 3.42 -2.29 0.91 5.36 -1.26 -3.54 117.98 118.22 1ary s PHE 71 Ca 0.50 1.38 0.24 0.00 -0.96 0.00 0.00 56.93 58.09 1ary s PHE 71 Cb -0.07 -3.34 0.24 0.00 -0.34 0.00 0.00 43.02 39.51 1ary s PHE 71 CO 0.30 -0.95 1.26 0.41 -1.46 0.00 0.00 175.22 174.78 1ary n GLY 72 N 3.18 0.19 0.00 13.12 0.00 -1.26 -4.73 105.19 115.70 1ary n GLY 72 Ca 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1ary n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ary n GLY 73 N 1.37 2.25 1.22 -0.02 0.00 -1.26 -1.14 105.19 107.61 1ary n GLY 73 Ca 0.12 -1.77 0.10 0.00 0.00 0.00 0.00 46.02 44.47 1ary n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ary n GLY 74 N 1.86 2.07 7.00 -0.02 0.00 -1.21 -4.61 105.19 110.28 1ary n GLY 74 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1ary n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ary n GLY 75 N 1.48 1.98 2.37 -0.02 0.00 -0.75 -3.88 105.19 106.38 1ary n GLY 75 Ca 0.22 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1ary n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ary n ALA 76 N 10.41 7.10 0.06 4.61 0.00 -0.54 -4.07 120.51 138.08 1ary n ALA 76 Ca 0.00 -3.33 0.09 0.00 0.00 0.00 0.00 53.44 50.20 1ary n ALA 76 Cb 0.00 -3.34 0.19 0.00 0.00 0.00 0.00 19.45 16.30 1ary n ALA 76 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ary n ASP 77 N 3.78 3.15 -0.34 0.00 5.75 -1.25 -4.67 116.55 122.96 1ary n ASP 77 Ca 0.73 -1.91 -0.04 0.00 -0.01 0.00 0.00 54.79 53.55 1ary n ASP 77 Cb 0.22 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1ary n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ary n GLY 78 N 1.08 0.69 0.23 6.12 0.00 -1.26 -3.98 105.19 108.07 1ary n GLY 78 Ca 0.16 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1ary n GLY 78 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ary h SER 79 N 0.00 0.15 -0.03 1.61 4.64 -1.88 -0.65 113.55 117.40 1ary h SER 79 Ca -0.09 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1ary h SER 79 Cb 0.45 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1ary h SER 79 CO 0.13 0.35 0.04 -0.29 -0.87 0.00 0.00 176.83 176.19 1ary h ILE 80 N 0.14 0.35 0.00 0.95 2.10 -1.90 0.17 117.51 119.32 1ary h ILE 80 Ca 0.03 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.81 1ary h ILE 80 Cb 0.42 0.96 -0.02 0.00 -1.09 0.00 0.00 36.82 37.09 1ary h ILE 80 CO 0.03 0.00 -1.26 -0.38 -1.08 0.00 0.00 178.15 175.45 1ary n ILE 81 N -3.58 1.49 -0.15 2.19 5.41 -0.35 -2.96 119.36 121.41 1ary n ILE 81 Ca -0.02 0.01 0.11 0.00 1.00 0.00 0.00 62.75 63.84 1ary n ILE 81 Cb 0.13 -2.19 0.44 0.00 -0.71 0.00 0.00 39.64 37.30 1ary n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ary h ALA 82 N -0.89 1.90 -0.94 -1.39 0.00 -1.24 -1.98 119.26 114.72 1ary h ALA 82 Ca -0.24 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.14 1ary h ALA 82 Cb 1.06 -0.12 -0.42 0.00 0.00 0.00 0.00 17.79 18.31 1ary h ALA 82 CO -0.14 -0.05 -0.83 0.72 0.00 0.00 0.00 179.25 178.95 1ary n HIS 83 N -4.49 2.76 -0.12 0.00 8.25 0.58 -4.82 115.22 117.38 1ary n HIS 83 Ca 0.12 -2.48 0.07 0.00 -0.26 0.00 0.00 57.72 55.17 1ary n HIS 83 Cb 0.36 -0.26 0.40 0.00 1.12 0.00 0.00 29.99 31.60 1ary n HIS 83 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ary h SER 84 N 2.35 0.56 -0.82 0.41 4.64 -1.24 -0.52 113.55 118.94 1ary h SER 84 Ca 0.29 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.71 1ary h SER 84 Cb 1.34 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 1ary h SER 84 CO 0.73 0.37 0.53 -0.55 -0.87 0.00 0.00 176.83 177.04 1ary h ASN 85 N 0.64 0.68 0.01 4.97 -0.00 -1.87 -0.41 115.58 119.60 1ary h ASN 85 Ca 0.27 0.02 -0.10 0.00 -0.00 0.00 0.00 56.30 56.49 1ary h ASN 85 Cb 0.25 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.43 1ary h ASN 85 CO -0.08 0.40 -0.52 0.40 -0.00 0.00 0.00 177.43 177.63 1ary h ILE 86 N 0.76 1.45 -0.02 6.14 1.08 -1.68 -3.40 117.51 121.84 1ary h ILE 86 Ca 0.38 -2.30 -0.16 0.00 -0.39 0.00 0.00 64.86 62.39 1ary h ILE 86 Cb 0.45 2.95 -0.02 0.00 -3.07 0.00 0.00 36.82 37.13 1ary h ILE 86 CO -0.15 0.51 -0.71 -0.33 -0.69 0.00 0.00 178.15 176.79 1ary h GLU 87 N -0.95 0.12 0.00 2.37 5.08 -0.92 -2.99 114.58 117.28 1ary h GLU 87 Ca -0.14 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1ary h GLU 87 Cb 1.16 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ary h GLU 87 CO -0.07 0.78 0.00 1.28 -1.00 0.00 0.00 179.01 180.00 1ary n LEU 88 N -3.75 0.00 0.07 1.33 4.77 -0.18 -2.07 117.00 117.16 1ary n LEU 88 Ca -0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1ary n LEU 88 Cb 0.69 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 42.03 1ary n LEU 88 CO 0.45 0.00 0.51 0.00 -1.33 0.00 0.00 177.39 177.02 1ary n ALA 89 N -0.99 2.76 -1.77 -1.18 0.00 -1.13 -4.62 120.51 113.58 1ary n ALA 89 Ca 0.20 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 1ary n ALA 89 Cb 0.09 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 1ary n ALA 89 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ary s PHE 90 N -3.14 2.79 0.42 0.00 0.08 -0.88 -4.94 117.98 112.30 1ary s PHE 90 Ca 0.08 1.38 0.08 0.00 0.12 0.00 0.00 56.93 58.59 1ary s PHE 90 Cb 0.13 -3.72 0.90 0.00 -0.57 0.00 0.00 43.02 39.76 1ary s PHE 90 CO 0.68 -2.22 2.05 -1.00 -0.10 0.00 0.00 175.22 174.64 1ary h PRO 91 N 2.73 0.50 -0.07 0.24 0.13 -1.90 -2.17 132.00 131.47 1ary h PRO 91 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ary h PRO 91 Cb 1.25 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ary h PRO 91 CO 0.63 0.33 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 1ary n ALA 92 N -2.48 2.57 -1.08 -0.56 0.00 -1.26 -3.96 120.51 113.74 1ary n ALA 92 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.23 1ary n ALA 92 Cb 0.11 -1.21 0.27 0.00 0.00 0.00 0.00 19.45 18.62 1ary n ALA 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ary n ASN 93 N -0.34 4.04 -4.84 0.00 3.02 -0.82 -5.00 115.26 111.32 1ary n ASN 93 Ca 0.14 -3.20 -0.31 0.00 -0.03 0.00 0.00 54.58 51.18 1ary n ASN 93 Cb 0.17 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 38.75 1ary n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ary s GLY 94 N -1.72 1.70 -1.00 7.41 0.00 -1.25 -3.92 107.32 108.53 1ary s GLY 94 Ca 0.47 0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1ary s GLY 94 CO 0.09 0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.14 1ary n GLY 95 N -2.17 1.03 0.01 0.20 0.00 -1.26 -4.90 105.19 98.09 1ary n GLY 95 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1ary n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ary n LEU 96 N -1.11 0.00 -0.27 0.99 4.77 -1.25 -4.79 117.00 115.34 1ary n LEU 96 Ca -0.10 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.92 1ary n LEU 96 Cb 0.34 0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1ary n LEU 96 CO 0.14 0.01 0.77 0.74 -1.33 0.00 0.00 177.39 177.73 1ary h THR 97 N 0.00 0.27 -0.60 -5.08 2.02 -1.91 0.07 112.91 107.69 1ary h THR 97 Ca -0.02 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1ary h THR 97 Cb 0.38 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1ary h THR 97 CO 0.00 0.01 0.09 0.44 0.37 0.00 0.00 175.52 176.43 1ary h ASP 98 N 0.04 0.93 -0.26 4.18 3.32 -2.00 -1.51 116.42 121.12 1ary h ASP 98 Ca 0.40 -0.21 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 1ary h ASP 98 Cb 0.68 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1ary h ASP 98 CO -0.74 0.93 -0.57 0.74 -1.72 0.00 0.00 179.24 177.88 1ary h THR 99 N 0.91 1.28 -0.89 0.35 2.02 -1.46 -2.53 112.91 112.58 1ary h THR 99 Ca 0.18 -1.75 0.04 0.00 0.77 0.00 0.00 66.41 65.65 1ary h THR 99 Cb 0.41 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1ary h THR 99 CO 0.01 0.57 0.57 0.40 0.37 0.00 0.00 175.52 177.44 1ary h ILE 100 N 0.62 1.12 -0.34 3.11 1.08 -0.80 -1.59 117.51 120.71 1ary h ILE 100 Ca 0.00 -0.38 -0.15 0.00 -0.39 0.00 0.00 64.86 63.95 1ary h ILE 100 Cb 1.18 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1ary h ILE 100 CO 0.13 0.20 -0.37 -0.33 -0.69 0.00 0.00 178.15 177.08 1ary h GLU 101 N 1.09 0.80 -0.77 2.37 4.39 -1.24 -0.27 114.58 120.97 1ary h GLU 101 Ca 0.37 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1ary h GLU 101 Cb 0.05 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1ary h GLU 101 CO -0.13 1.04 0.27 0.00 -1.16 0.00 0.00 179.01 179.03 1ary h ALA 102 N 0.91 1.01 -0.22 3.43 0.00 -1.18 -2.61 119.26 120.60 1ary h ALA 102 Ca 0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1ary h ALA 102 Cb 0.93 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ary h ALA 102 CO 0.09 0.67 -0.52 -0.07 0.00 0.00 0.00 179.25 179.41 1ary h LEU 103 N 1.14 0.69 -0.46 0.00 3.38 -1.03 -2.97 115.31 116.05 1ary h LEU 103 Ca 0.25 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ary h LEU 103 Cb 0.27 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1ary h LEU 103 CO -0.01 1.08 0.19 -0.09 0.09 0.00 0.00 178.44 179.70 1ary h ARG 104 N 0.49 0.38 -0.67 1.13 2.43 -0.72 -0.94 114.38 116.48 1ary h ARG 104 Ca 0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ary h ARG 104 Cb 1.07 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1ary h ARG 104 CO 0.10 0.25 0.41 0.00 -1.51 0.00 0.00 179.97 179.22 1ary h ALA 105 N 1.28 0.86 -0.68 2.80 0.00 -1.43 -1.15 119.26 120.94 1ary h ALA 105 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ary h ALA 105 Cb 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1ary h ALA 105 CO -0.18 0.33 0.19 0.28 0.00 0.00 0.00 179.25 179.86 1ary h VAL 106 N 0.92 1.26 0.12 0.00 2.07 -1.12 -0.86 116.25 118.64 1ary h VAL 106 Ca 0.24 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1ary h VAL 106 Cb -0.03 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1ary h VAL 106 CO -0.05 0.35 -0.06 1.23 0.02 0.00 0.00 177.57 179.07 1ary h GLY 107 N 1.00 -0.17 0.96 2.17 0.00 -0.83 -0.78 103.07 105.42 1ary h GLY 107 Ca 0.21 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 1ary h GLY 107 CO -0.00 -0.06 0.12 -2.22 0.00 0.00 0.00 176.54 174.37 1ary h ILE 108 N -0.22 1.23 -0.20 2.60 2.04 -1.17 -0.63 117.51 121.17 1ary h ILE 108 Ca -0.02 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 64.95 1ary h ILE 108 Cb 0.17 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1ary h ILE 108 CO 0.03 0.28 -0.28 0.78 0.00 0.00 0.00 178.15 178.96 1ary h ASN 109 N 0.60 0.39 0.36 1.72 2.35 -0.96 -3.14 115.58 116.89 1ary h ASN 109 Ca 0.14 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1ary h ASN 109 Cb 0.31 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1ary h ASN 109 CO 0.00 0.66 -0.75 1.41 -1.65 0.00 0.00 177.43 177.11 1ary n HIS 110 N -4.11 0.06 -2.62 1.19 8.25 -0.31 -4.98 115.22 112.70 1ary n HIS 110 Ca -0.01 0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1ary n HIS 110 Cb 0.41 -0.23 0.02 0.00 1.12 0.00 0.00 29.99 31.31 1ary n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ary n GLY 111 N 1.47 0.10 3.70 -1.41 0.00 -0.26 -5.04 105.19 103.75 1ary n GLY 111 Ca 0.04 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 1ary n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ary s VAL 112 N -2.84 3.90 0.52 1.61 -7.23 -1.09 -5.07 120.40 110.20 1ary s VAL 112 Ca 0.15 -1.39 -0.19 0.00 -1.81 0.00 0.00 61.98 58.74 1ary s VAL 112 Cb -0.06 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 1ary s VAL 112 CO 0.18 -0.14 1.04 -0.94 -0.31 0.00 0.00 175.10 174.93 1ary s SER 113 N -3.09 6.18 0.32 4.85 1.04 -1.26 -4.69 113.70 117.05 1ary s SER 113 Ca 0.29 1.89 0.01 0.00 0.48 0.00 0.00 55.95 58.61 1ary s SER 113 Cb -0.09 -2.55 0.55 0.00 0.10 0.00 0.00 66.02 64.02 1ary s SER 113 CO 0.20 -0.90 1.96 -0.26 0.98 0.00 0.00 173.24 175.23 1ary h PHE 114 N 1.20 0.85 -0.53 5.02 0.04 -1.87 -0.76 116.94 120.89 1ary h PHE 114 Ca -0.49 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.23 1ary h PHE 114 Cb 1.22 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 1ary h PHE 114 CO 0.57 0.58 0.13 0.78 -0.60 0.00 0.00 178.31 179.77 1ary h GLY 115 N 0.93 0.92 1.04 -1.45 0.00 -1.83 -1.66 103.07 101.01 1ary h GLY 115 Ca 0.23 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1ary h GLY 115 CO -0.04 0.54 -0.12 -0.55 0.00 0.00 0.00 176.54 176.37 1ary h ASP 116 N 0.75 0.90 -0.86 0.19 3.32 -1.79 -2.98 116.42 115.94 1ary h ASP 116 Ca 0.17 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 56.88 1ary h ASP 116 Cb 0.34 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1ary h ASP 116 CO 0.00 1.05 0.56 0.25 -1.72 0.00 0.00 179.24 179.39 1ary h LEU 117 N 0.73 0.93 -0.79 1.55 5.85 -0.94 -0.85 115.31 121.80 1ary h LEU 117 Ca 0.12 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1ary h LEU 117 Cb 0.67 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ary h LEU 117 CO 0.05 0.65 -0.04 0.40 -0.34 0.00 0.00 178.44 179.15 1ary h ILE 118 N 1.09 1.26 -0.40 4.05 2.04 -1.28 0.46 117.51 124.73 1ary h ILE 118 Ca 0.34 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 1ary h ILE 118 Cb -0.01 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1ary h ILE 118 CO -0.11 0.39 -0.11 1.56 0.00 0.00 0.00 178.15 179.89 1ary h GLN 119 N 0.79 0.78 0.14 2.37 1.08 -1.18 -2.00 115.11 117.09 1ary h GLN 119 Ca 0.14 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 1ary h GLN 119 Cb 0.54 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1ary h GLN 119 CO 0.03 0.91 -0.07 0.35 -0.95 0.00 0.00 178.83 179.11 1ary h PHE 120 N 0.59 -0.17 -0.02 2.96 3.57 -1.08 -1.73 116.94 121.06 1ary h PHE 120 Ca 0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1ary h PHE 120 Cb 0.63 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1ary h PHE 120 CO 0.05 0.00 -0.09 0.00 -2.23 0.00 0.00 178.31 176.04 1ary h ALA 121 N 0.53 1.82 -0.12 2.41 0.00 -0.83 -0.32 119.26 122.74 1ary h ALA 121 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ary h ALA 121 Cb 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ary h ALA 121 CO 0.03 0.14 -0.01 1.15 0.00 0.00 0.00 179.25 180.56 1ary h THR 122 N 0.02 1.26 0.00 0.00 2.02 -1.04 0.02 112.91 115.20 1ary h THR 122 Ca 0.00 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1ary h THR 122 Cb 0.18 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1ary h THR 122 CO 0.01 0.25 -0.00 0.00 0.37 0.00 0.00 175.52 176.15 1ary h ALA 123 N 0.74 -0.00 -0.54 6.16 0.00 -0.38 -2.04 119.26 123.19 1ary h ALA 123 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ary h ALA 123 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ary h ALA 123 CO 0.01 -0.43 0.34 0.28 0.00 0.00 0.00 179.25 179.45 1ary h VAL 124 N -0.13 1.15 -0.37 0.00 2.07 -1.14 -2.44 116.25 115.39 1ary h VAL 124 Ca -0.00 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1ary h VAL 124 Cb 0.13 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1ary h VAL 124 CO 0.00 0.15 0.22 1.23 0.02 0.00 0.00 177.57 179.19 1ary h GLY 125 N 0.73 0.52 2.00 2.17 0.00 -0.85 -2.19 103.07 105.45 1ary h GLY 125 Ca 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1ary h GLY 125 CO -0.04 0.14 -0.10 -0.33 0.00 0.00 0.00 176.54 176.21 1ary h MET 126 N 0.44 0.00 0.00 4.80 2.86 -1.22 -0.94 114.93 120.88 1ary h MET 126 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1ary h MET 126 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1ary h MET 126 CO -0.07 0.10 0.00 0.66 1.06 0.00 0.00 176.91 178.66 1ary h SER 127 N 0.00 0.00 0.44 1.22 4.64 -0.89 -1.08 113.55 117.87 1ary h SER 127 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ary h SER 127 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1ary h SER 127 CO 0.01 0.00 -0.21 0.59 -0.87 0.00 0.00 176.83 176.36 1ary n ASN 128 N -2.57 0.54 -4.45 4.97 5.03 -0.36 -4.10 115.26 114.32 1ary n ASN 128 Ca 0.01 -0.44 -0.37 0.00 0.87 0.00 0.00 54.58 54.65 1ary n ASN 128 Cb 0.20 -0.02 -0.12 0.00 -1.02 0.00 0.00 39.78 38.82 1ary n ASN 128 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ary n PRO 130 N 4.94 2.54 0.00 0.00 -0.04 -1.25 -2.50 135.00 138.68 1ary n PRO 130 Ca -0.16 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1ary n PRO 130 Cb 0.51 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1ary n PRO 130 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ary n GLY 131 N 0.80 1.10 3.78 0.55 0.00 -0.69 -0.78 105.19 109.96 1ary n GLY 131 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1ary n GLY 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ary s SER 132 N -2.42 6.75 0.83 1.61 0.01 -1.04 -4.75 113.70 114.69 1ary s SER 132 Ca 0.00 2.05 -0.12 0.00 1.31 0.00 0.00 55.95 59.19 1ary s SER 132 Cb 0.00 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.74 1ary s SER 132 CO 0.00 -0.50 1.17 -2.16 0.41 0.00 0.00 173.24 172.16 1ary s PRO 133 N -2.49 1.79 -0.50 12.44 0.04 -1.26 -4.51 135.00 140.51 1ary s PRO 133 Ca 0.58 0.16 -0.22 0.00 0.04 0.00 0.00 61.00 61.56 1ary s PRO 133 Cb -0.22 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1ary s PRO 133 CO 0.28 -1.73 0.78 1.03 0.04 0.00 0.00 177.00 177.40 1ary s ARG 134 N -5.50 3.29 0.50 4.56 0.52 -1.26 -4.80 118.95 116.25 1ary s ARG 134 Ca 0.62 -0.40 -0.21 0.00 -0.52 0.00 0.00 55.73 55.22 1ary s ARG 134 Cb -0.12 -4.02 -0.07 0.00 0.52 0.00 0.00 34.95 31.26 1ary s ARG 134 CO 0.50 -1.27 1.15 -0.51 0.02 0.00 0.00 175.30 175.20 1ary s LEU 135 N 3.30 3.89 0.54 2.53 1.02 -1.26 -5.00 118.68 123.69 1ary s LEU 135 Ca 0.25 2.25 -0.19 0.00 0.02 0.00 0.00 54.13 56.46 1ary s LEU 135 Cb -0.14 -4.40 -0.06 0.00 0.02 0.00 0.00 46.19 41.61 1ary s LEU 135 CO 0.18 -1.06 1.12 -0.70 0.02 0.00 0.00 176.35 175.91 1ary s GLU 136 N -2.97 3.39 -0.05 1.70 2.12 -1.26 -4.94 118.70 116.69 1ary s GLU 136 Ca 0.68 1.59 -0.01 0.00 0.36 0.00 0.00 54.97 57.59 1ary s GLU 136 Cb -0.27 -2.01 0.03 0.00 0.26 0.00 0.00 34.13 32.14 1ary s GLU 136 CO 0.31 -0.81 0.01 0.12 -0.54 0.00 0.00 175.26 174.35 1ary s PHE 137 N -1.80 0.43 0.04 5.30 5.36 -1.26 -4.94 117.98 121.11 1ary s PHE 137 Ca 0.72 -0.02 0.08 0.00 -0.96 0.00 0.00 56.93 56.76 1ary s PHE 137 Cb -0.23 -0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.81 1ary s PHE 137 CO 0.26 -0.23 -0.23 -0.51 -1.46 0.00 0.00 175.22 173.05 1ary s LEU 138 N 1.71 2.33 0.18 6.12 1.02 -1.26 -0.77 118.68 128.00 1ary s LEU 138 Ca 0.00 -0.53 0.08 0.00 0.02 0.00 0.00 54.13 53.70 1ary s LEU 138 Cb -0.13 -1.37 -0.04 0.00 0.02 0.00 0.00 46.19 44.67 1ary s LEU 138 CO -0.03 0.26 -0.15 0.28 0.02 0.00 0.00 176.35 176.72 1ary s THR 139 N -0.84 1.68 0.00 5.49 -1.32 0.13 -4.86 115.64 115.92 1ary s THR 139 Ca 0.13 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1ary s THR 139 Cb -0.10 -1.90 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1ary s THR 139 CO 0.03 -0.49 0.00 0.61 -2.21 0.00 0.00 174.62 172.56 1ary n GLY 140 N -0.04 1.10 3.73 6.08 0.00 -1.26 -0.59 105.19 114.21 1ary n GLY 140 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1ary n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ary s ARG 141 N 0.00 4.15 0.50 1.61 0.52 -1.26 -4.93 118.95 119.53 1ary s ARG 141 Ca 0.00 2.54 -0.23 0.00 -0.52 0.00 0.00 55.73 57.52 1ary s ARG 141 Cb 0.00 -3.08 -0.07 0.00 0.52 0.00 0.00 34.95 32.32 1ary s ARG 141 CO 0.00 -0.68 1.30 0.45 0.02 0.00 0.00 175.30 176.39 1ary n SER 142 N 3.53 2.53 0.21 0.23 2.88 -1.26 -4.70 113.62 117.04 1ary n SER 142 Ca 0.13 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.82 1ary n SER 142 Cb 0.37 -1.54 0.24 0.00 -0.75 0.00 0.00 64.21 62.53 1ary n SER 142 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1ary h ASN 143 N 1.67 0.00 -3.54 -3.46 -1.24 -1.91 -3.44 115.58 103.66 1ary h ASN 143 Ca -0.50 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 55.99 1ary h ASN 143 Cb 1.30 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.33 1ary h ASN 143 CO 0.58 0.00 0.37 -0.94 -1.29 0.00 0.00 177.43 176.15 1ary s SER 144 N -5.94 7.46 0.12 1.15 1.04 -1.26 -4.81 113.70 111.46 1ary s SER 144 Ca 0.07 1.79 -0.05 0.00 0.48 0.00 0.00 55.95 58.24 1ary s SER 144 Cb 0.06 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1ary s SER 144 CO 0.65 -0.11 0.14 -0.94 0.98 0.00 0.00 173.24 173.96 1ary s SER 145 N 0.17 0.22 0.23 7.02 1.04 -1.26 -5.05 113.70 116.07 1ary s SER 145 Ca 0.48 -0.95 0.10 0.00 0.48 0.00 0.00 55.95 56.06 1ary s SER 145 Cb -0.23 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1ary s SER 145 CO 0.30 -0.76 -0.11 -1.10 0.98 0.00 0.00 173.24 172.56 1ary s GLN 146 N -3.96 1.99 0.42 4.02 -0.21 -1.26 -5.03 119.66 115.63 1ary s GLN 146 Ca 0.15 -1.45 -0.26 0.00 0.02 0.00 0.00 55.36 53.82 1ary s GLN 146 Cb 0.06 -2.04 -0.10 0.00 1.00 0.00 0.00 33.01 31.93 1ary s GLN 146 CO -0.03 0.39 1.44 -2.30 -2.12 0.00 0.00 175.29 172.66 1ary n PRO 147 N -0.36 2.39 -2.20 2.91 -0.02 -1.26 -4.76 135.00 131.70 1ary n PRO 147 Ca -0.08 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 1ary n PRO 147 Cb 0.57 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1ary n PRO 147 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ary s SER 148 N -0.34 6.57 0.80 2.55 0.15 -1.26 -4.82 113.70 117.35 1ary s SER 148 Ca 0.58 2.50 -0.13 0.00 0.70 0.00 0.00 55.95 59.60 1ary s SER 148 Cb -0.47 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.29 1ary s SER 148 CO 0.60 -0.65 1.20 -2.84 1.20 0.00 0.00 173.24 172.74 1ary s PRO 149 N -2.10 1.69 1.05 5.44 0.02 -1.26 -4.95 135.00 134.88 1ary s PRO 149 Ca 0.54 1.72 -0.15 0.00 0.02 0.00 0.00 61.00 63.13 1ary s PRO 149 Cb -0.35 -1.79 0.21 0.00 0.02 0.00 0.00 34.50 32.60 1ary s PRO 149 CO 0.45 -2.17 1.12 -2.14 -0.33 0.00 0.00 177.00 173.93 1ary s PRO 150 N -4.17 0.02 -1.92 5.54 0.02 -1.26 -4.39 135.00 128.85 1ary s PRO 150 Ca 0.72 0.20 0.00 0.00 0.02 0.00 0.00 61.00 61.94 1ary s PRO 150 Cb -0.28 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1ary s PRO 150 CO 0.50 -2.94 0.00 0.43 -0.33 0.00 0.00 177.00 174.67 1ary n SER 151 N -4.26 -5.28 -1.00 2.53 7.64 -1.26 -4.87 113.62 107.12 1ary n SER 151 Ca 0.09 0.31 0.08 0.00 1.01 0.00 0.00 58.87 60.36 1ary n SER 151 Cb 0.59 -4.59 0.24 0.00 -1.01 0.00 0.00 64.21 59.44 1ary n SER 151 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ary n LEU 152 N -2.54 3.53 -4.37 -3.43 4.77 -1.26 -4.91 117.00 108.79 1ary n LEU 152 Ca -0.21 -2.10 -0.35 0.00 -0.03 0.00 0.00 56.01 53.32 1ary n LEU 152 Cb 0.65 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 1ary n LEU 152 CO 0.29 0.83 -0.35 -0.63 -1.33 0.00 0.00 177.39 176.19 1ary s ILE 153 N -1.18 3.69 0.30 -0.08 1.01 -1.26 -4.72 121.20 118.95 1ary s ILE 153 Ca 0.36 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 1ary s ILE 153 Cb 0.20 -2.69 -0.12 0.00 0.01 0.00 0.00 42.46 39.87 1ary s ILE 153 CO 0.23 0.41 1.50 -2.65 0.00 0.00 0.00 174.94 174.43 1ary n PRO 154 N 4.66 2.48 -4.18 2.79 -0.02 -1.26 -4.99 135.00 134.47 1ary n PRO 154 Ca -0.18 0.88 -0.23 0.00 -2.02 0.00 0.00 63.50 61.95 1ary n PRO 154 Cb 0.51 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1ary n PRO 154 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ary s GLY 155 N 0.27 1.90 0.60 -1.23 0.00 -1.26 -5.03 107.32 102.58 1ary s GLY 155 Ca 0.62 -1.81 0.38 0.00 0.00 0.00 0.00 44.72 43.91 1ary s GLY 155 CO 0.52 -1.77 2.17 -0.56 0.00 0.00 0.00 173.10 173.47 1ary h PRO 156 N 1.66 0.00 -0.11 2.90 0.13 -1.97 -2.76 132.00 131.85 1ary h PRO 156 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ary h PRO 156 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ary h PRO 156 CO 0.63 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 1ary n GLY 157 N -0.55 0.64 3.78 1.56 0.00 -1.26 -2.55 105.19 106.81 1ary n GLY 157 Ca -0.01 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 1ary n GLY 157 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ary s ASN 158 N -1.84 5.64 0.87 1.61 -0.87 -1.04 -5.01 114.94 114.29 1ary s ASN 158 Ca 0.34 1.98 -0.12 0.00 -1.57 0.00 0.00 52.86 53.49 1ary s ASN 158 Cb 0.20 -2.55 0.11 0.00 -0.02 0.00 0.00 41.25 38.99 1ary s ASN 158 CO 0.31 -1.27 1.13 0.42 -2.57 0.00 0.00 177.10 175.12 1ary s THR 159 N -2.17 2.28 0.15 1.60 -4.23 -1.26 -4.75 115.64 107.25 1ary s THR 159 Ca 0.68 0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 61.14 1ary s THR 159 Cb -0.19 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.80 1ary s THR 159 CO 0.33 -0.12 1.68 0.58 -0.54 0.00 0.00 174.62 176.55 1ary h VAL 160 N -1.33 1.23 -0.60 2.29 2.07 -1.96 -2.17 116.25 115.78 1ary h VAL 160 Ca -0.49 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.36 1ary h VAL 160 Cb 1.32 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1ary h VAL 160 CO 0.62 0.28 0.23 0.74 0.02 0.00 0.00 177.57 179.46 1ary h THR 161 N 0.67 0.78 -0.41 2.57 2.02 -1.99 0.28 112.91 116.84 1ary h THR 161 Ca 0.16 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ary h THR 161 Cb 0.27 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1ary h THR 161 CO -0.01 0.08 0.25 0.00 0.37 0.00 0.00 175.52 176.21 1ary h ALA 162 N 1.41 0.52 0.27 6.16 0.00 -1.87 -1.27 119.26 124.48 1ary h ALA 162 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ary h ALA 162 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ary h ALA 162 CO -0.30 0.02 -0.13 0.82 0.00 0.00 0.00 179.25 179.66 1ary h ILE 163 N 0.54 0.78 -0.88 0.00 2.04 -0.73 -1.93 117.51 117.33 1ary h ILE 163 Ca 0.15 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.78 1ary h ILE 163 Cb 0.00 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1ary h ILE 163 CO -0.03 0.07 0.57 -0.07 0.00 0.00 0.00 178.15 178.69 1ary h LEU 164 N -0.53 0.76 -0.28 1.44 3.38 -0.89 -0.28 115.31 118.92 1ary h LEU 164 Ca -0.04 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ary h LEU 164 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ary h LEU 164 CO 0.06 0.44 -0.03 0.44 0.09 0.00 0.00 178.44 179.44 1ary h ASP 165 N 0.84 0.51 -0.27 -0.43 5.19 -1.12 0.41 116.42 121.55 1ary h ASP 165 Ca 0.41 -0.34 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 1ary h ASP 165 Cb 0.46 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1ary h ASP 165 CO -0.18 0.72 -0.07 -0.09 -3.12 0.00 0.00 179.24 176.51 1ary h ARG 166 N 0.28 0.52 -0.43 3.56 9.65 -0.65 -1.45 114.38 125.87 1ary h ARG 166 Ca 0.07 -0.20 -0.10 0.00 -1.10 0.00 0.00 59.98 58.65 1ary h ARG 166 Cb 0.48 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 1ary h ARG 166 CO 0.02 0.74 -0.14 0.52 2.80 0.00 0.00 179.97 183.91 1ary h MET 167 N 0.27 0.79 -0.57 0.20 2.86 -1.07 -2.40 114.93 115.01 1ary h MET 167 Ca 0.07 -0.28 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 1ary h MET 167 Cb 0.55 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1ary h MET 167 CO 0.03 0.88 0.06 0.78 1.06 0.00 0.00 176.91 179.72 1ary h GLY 168 N 0.97 1.01 0.94 8.32 0.00 -0.06 1.00 103.07 115.24 1ary h GLY 168 Ca 0.11 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.79 1ary h GLY 168 CO 0.04 0.62 0.06 -1.80 0.00 0.00 0.00 176.54 175.46 1ary h ASP 169 N 0.88 0.09 -0.12 0.19 3.58 -0.95 -2.07 116.42 118.00 1ary h ASP 169 Ca 0.17 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.66 1ary h ASP 169 Cb 0.43 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1ary h ASP 169 CO 0.01 0.07 0.09 0.00 -2.88 0.00 0.00 179.24 176.53 1ary h ALA 170 N 1.07 2.07 0.00 -0.78 0.00 -1.24 -3.39 119.26 116.98 1ary h ALA 170 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ary h ALA 170 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ary h ALA 170 CO -0.04 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1ary n GLY 171 N -1.55 0.06 3.83 0.00 0.00 -0.78 -4.96 105.19 101.78 1ary n GLY 171 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1ary n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ary s PHE 172 N -0.92 3.51 0.67 1.61 0.08 0.29 -4.95 117.98 118.27 1ary s PHE 172 Ca 0.00 0.44 -0.11 0.00 0.12 0.00 0.00 56.93 57.38 1ary s PHE 172 Cb 0.00 -1.96 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 1ary s PHE 172 CO 0.00 0.62 1.06 -1.54 -0.10 0.00 0.00 175.22 175.26 1ary s SER 173 N -0.77 5.73 0.32 1.36 1.04 -1.26 -2.96 113.70 117.15 1ary s SER 173 Ca 0.13 1.20 0.05 0.00 0.48 0.00 0.00 55.95 57.82 1ary s SER 173 Cb -0.12 -2.10 0.68 0.00 0.10 0.00 0.00 66.02 64.58 1ary s SER 173 CO 0.03 -1.16 1.86 -0.65 0.98 0.00 0.00 173.24 174.30 1ary h PRO 174 N -0.51 0.82 -0.59 4.02 0.11 -1.93 -1.89 132.00 132.04 1ary h PRO 174 Ca -0.45 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1ary h PRO 174 Cb 1.23 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1ary h PRO 174 CO 0.63 0.54 0.03 -0.44 -0.21 0.00 0.00 178.00 178.56 1ary h ASP 175 N 0.85 1.00 0.69 -2.05 3.32 -1.93 -2.67 116.42 115.62 1ary h ASP 175 Ca 0.46 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1ary h ASP 175 Cb 0.57 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1ary h ASP 175 CO -0.22 1.04 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.77 1ary h GLU 176 N 0.92 0.00 -0.08 3.56 5.08 -1.72 -1.46 114.58 120.88 1ary h GLU 176 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1ary h GLU 176 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ary h GLU 176 CO 0.02 0.24 0.01 0.28 -1.00 0.00 0.00 179.01 178.57 1ary h VAL 177 N 0.00 1.22 -0.57 3.13 2.07 -1.16 -0.20 116.25 120.74 1ary h VAL 177 Ca -0.00 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1ary h VAL 177 Cb 0.65 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1ary h VAL 177 CO 0.03 0.19 0.36 0.58 0.02 0.00 0.00 177.57 178.75 1ary h VAL 178 N -0.12 1.11 -0.85 2.57 2.07 -1.13 -2.44 116.25 117.47 1ary h VAL 178 Ca 0.02 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1ary h VAL 178 Cb 0.28 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1ary h VAL 178 CO 0.00 0.13 0.56 0.44 0.02 0.00 0.00 177.57 178.72 1ary h ASP 179 N 0.73 0.95 -0.22 0.57 3.32 -1.01 -1.76 116.42 119.00 1ary h ASP 179 Ca 0.22 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1ary h ASP 179 Cb -0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1ary h ASP 179 CO -0.07 0.67 0.04 -0.07 -1.72 0.00 0.00 179.24 178.09 1ary h LEU 180 N 1.12 0.43 0.00 1.55 4.07 -0.58 -2.77 115.31 119.13 1ary h LEU 180 Ca 0.32 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1ary h LEU 180 Cb -0.08 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.55 1ary h LEU 180 CO -0.09 0.48 0.00 0.18 -1.08 0.00 0.00 178.44 177.93 1ary n LEU 181 N -4.33 0.00 0.29 1.67 4.77 -0.66 -2.42 117.00 116.33 1ary n LEU 181 Ca 0.01 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.18 1ary n LEU 181 Cb 0.21 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.14 1ary n LEU 181 CO 0.38 0.00 1.04 0.00 -1.33 0.00 0.00 177.39 177.48 1ary h ALA 182 N 2.78 1.04 0.00 -1.18 0.00 -1.57 -2.20 119.26 118.14 1ary h ALA 182 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ary h ALA 182 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ary h ALA 182 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1ary h ALA 183 N 1.97 1.00 0.00 0.00 0.00 -1.74 -0.59 119.26 119.91 1ary h ALA 183 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ary h ALA 183 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ary h ALA 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1ary n HIS 184 N -2.46 0.00 0.88 0.00 -0.00 -0.83 -2.00 115.22 110.82 1ary n HIS 184 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.84 1ary n HIS 184 Cb 0.11 0.00 0.55 0.00 -0.00 0.00 0.00 29.99 30.65 1ary n HIS 184 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ary n SER 185 N -0.96 0.08 -3.22 0.41 2.88 -0.23 -3.64 113.62 108.95 1ary n SER 185 Ca 0.19 0.51 -0.25 0.00 -1.33 0.00 0.00 58.87 57.99 1ary n SER 185 Cb 0.09 -0.53 -0.06 0.00 -0.75 0.00 0.00 64.21 62.96 1ary n SER 185 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ary n LEU 186 N -1.58 2.50 -3.67 2.46 4.32 -0.85 -4.25 117.00 115.93 1ary n LEU 186 Ca 0.06 -5.23 -0.11 0.00 -0.02 0.00 0.00 56.01 50.71 1ary n LEU 186 Cb 0.32 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 41.98 1ary n LEU 186 CO 0.25 2.16 0.13 0.00 -1.22 0.00 0.00 177.39 178.71 1ary s ALA 187 N -2.33 -0.88 0.35 -1.18 0.00 -1.24 -4.72 121.76 111.77 1ary s ALA 187 Ca 0.40 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.41 1ary s ALA 187 Cb 0.21 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1ary s ALA 187 CO -0.07 -0.54 0.48 -1.54 0.00 0.00 0.00 175.76 174.09 1ary s SER 188 N -2.41 1.01 0.13 0.00 1.04 -1.26 -1.21 113.70 110.99 1ary s SER 188 Ca -0.01 -1.53 0.09 0.00 0.48 0.00 0.00 55.95 54.99 1ary s SER 188 Cb 0.01 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1ary s SER 188 CO -0.07 -1.32 -0.23 0.00 0.98 0.00 0.00 173.24 172.60 1ary s GLN 189 N -2.97 1.26 0.00 4.02 1.03 -0.95 -4.89 119.66 117.15 1ary s GLN 189 Ca 0.31 -1.28 0.00 0.00 0.04 0.00 0.00 55.36 54.43 1ary s GLN 189 Cb -0.01 -1.57 0.00 0.00 0.03 0.00 0.00 33.01 31.47 1ary s GLN 189 CO 0.21 0.36 0.00 0.39 -2.54 0.00 0.00 175.29 173.71 1ary n GLU 190 N 0.86 2.67 0.00 9.60 1.02 -1.26 -1.17 120.64 132.36 1ary n GLU 190 Ca -0.18 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.05 1ary n GLU 190 Cb 0.54 -0.90 -0.02 0.00 -0.02 0.00 0.00 31.44 31.04 1ary n GLU 190 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ary n GLY 191 N 2.60 -0.12 0.11 0.62 0.00 -1.26 -3.81 105.19 103.32 1ary n GLY 191 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1ary n GLY 191 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ary h LEU 192 N 1.55 0.34 -6.05 0.99 4.07 -1.90 -3.42 115.31 110.89 1ary h LEU 192 Ca 0.00 -0.53 -0.36 0.00 0.08 0.00 0.00 57.88 57.07 1ary h LEU 192 Cb 0.54 -0.11 -0.29 0.00 1.08 0.00 0.00 40.66 41.88 1ary h LEU 192 CO 0.00 1.45 -0.71 0.21 -1.08 0.00 0.00 178.44 178.31 1ary s ASN 193 N -6.88 0.54 0.21 -0.43 3.04 -1.26 -2.34 114.94 107.82 1ary s ASN 193 Ca -0.10 -1.97 0.18 0.00 0.04 0.00 0.00 52.86 51.01 1ary s ASN 193 Cb 0.07 0.66 0.85 0.00 -1.54 0.00 0.00 41.25 41.29 1ary s ASN 193 CO 0.84 -0.19 1.55 -1.54 -3.04 0.00 0.00 177.10 174.72 1ary n SER 194 N 3.60 0.44 0.26 -4.21 3.41 -1.25 -1.41 113.62 114.47 1ary n SER 194 Ca 0.18 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.58 1ary n SER 194 Cb 0.49 -0.73 0.65 0.00 -0.26 0.00 0.00 64.21 64.36 1ary n SER 194 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ary h ALA 195 N 2.16 1.05 -1.94 7.33 0.00 -1.95 -3.12 119.26 122.79 1ary h ALA 195 Ca 0.00 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 1ary h ALA 195 Cb 0.16 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.52 1ary h ALA 195 CO 0.00 0.12 -0.91 0.44 0.00 0.00 0.00 179.25 178.90 1ary n ILE 196 N -3.28 1.64 -1.64 0.00 -5.35 -0.50 -4.95 119.36 105.27 1ary n ILE 196 Ca -0.00 -4.87 -0.47 0.00 -0.27 0.00 0.00 62.75 57.14 1ary n ILE 196 Cb 0.32 -0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 37.43 1ary n ILE 196 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1ary n PHE 197 N -0.08 1.91 -2.38 4.28 7.35 -1.18 -1.55 117.46 125.81 1ary n PHE 197 Ca 0.28 0.48 -0.20 0.00 -0.76 0.00 0.00 57.45 57.25 1ary n PHE 197 Cb 0.57 -2.42 -0.01 0.00 0.35 0.00 0.00 39.48 37.97 1ary n PHE 197 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ary n ARG 198 N 2.25 -1.59 -1.94 -4.13 1.74 -0.31 -4.79 116.66 107.88 1ary n ARG 198 Ca 0.14 0.97 -0.42 0.00 -0.77 0.00 0.00 57.85 57.77 1ary n ARG 198 Cb 0.28 -5.58 -0.03 0.00 -1.02 0.00 0.00 32.46 26.11 1ary n ARG 198 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ary s SER 199 N -2.10 6.61 0.57 0.55 1.04 -0.59 -0.78 113.70 119.00 1ary s SER 199 Ca 0.00 2.51 -0.16 0.00 0.48 0.00 0.00 55.95 58.78 1ary s SER 199 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 1ary s SER 199 CO 0.00 -0.85 1.05 -2.16 0.98 0.00 0.00 173.24 172.26 1ary s PRO 200 N 2.10 3.41 0.26 4.02 0.04 -1.25 -2.25 135.00 141.34 1ary s PRO 200 Ca 0.72 1.23 0.22 0.00 0.04 0.00 0.00 61.00 63.21 1ary s PRO 200 Cb -0.41 -2.04 0.08 0.00 0.04 0.00 0.00 34.50 32.17 1ary s PRO 200 CO 0.32 -0.74 1.20 -0.07 0.04 0.00 0.00 177.00 177.75 1ary h LEU 201 N 0.63 0.00 -8.77 -3.56 4.07 -1.37 -0.07 115.31 106.24 1ary h LEU 201 Ca -0.47 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.16 1ary h LEU 201 Cb 1.22 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.82 1ary h LEU 201 CO 0.58 0.06 -0.59 1.51 -1.08 0.00 0.00 178.44 178.92 1ary s ASP 202 N -5.66 0.84 0.00 -0.43 -4.77 -1.26 -4.80 116.67 100.59 1ary s ASP 202 Ca 0.02 -1.48 0.17 0.00 -3.30 0.00 0.00 52.55 47.96 1ary s ASP 202 Cb 0.08 0.38 0.86 0.00 -1.09 0.00 0.00 42.92 43.15 1ary s ASP 202 CO 0.76 -0.87 1.52 -1.54 0.70 0.00 0.00 175.17 175.73 1ary n SER 203 N -0.64 0.00 -3.27 2.11 3.41 -1.26 -3.94 113.62 110.04 1ary n SER 203 Ca 0.02 0.07 -0.25 0.00 -0.26 0.00 0.00 58.87 58.45 1ary n SER 203 Cb 0.65 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 1ary n SER 203 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ary n THR 204 N -1.30 1.13 0.20 6.66 -2.24 -1.26 -4.94 114.28 112.52 1ary n THR 204 Ca 0.08 -4.77 0.13 0.00 -2.27 0.00 0.00 64.05 57.21 1ary n THR 204 Cb 0.14 -1.83 0.67 0.00 -2.10 0.00 0.00 70.33 67.21 1ary n THR 204 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ary h PRO 205 N 3.90 0.00 -0.42 -0.78 0.13 -1.74 -1.81 132.00 131.28 1ary h PRO 205 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ary h PRO 205 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1ary h PRO 205 CO 0.67 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.48 1ary n GLN 206 N -2.38 2.88 -4.14 0.86 6.02 -1.26 -4.13 117.38 115.23 1ary n GLN 206 Ca -0.02 -2.23 -0.26 0.00 -0.01 0.00 0.00 57.00 54.48 1ary n GLN 206 Cb 0.08 -1.37 -0.17 0.00 1.02 0.00 0.00 30.24 29.80 1ary n GLN 206 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ary s VAL 207 N -1.13 1.07 -0.81 5.09 1.01 -0.68 -3.91 120.40 121.04 1ary s VAL 207 Ca 0.30 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 1ary s VAL 207 Cb 0.16 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.53 1ary s VAL 207 CO 0.19 0.36 1.31 0.12 0.00 0.00 0.00 175.10 177.08 1ary s PHE 208 N 1.33 2.36 0.24 5.22 5.36 0.04 -4.69 117.98 127.85 1ary s PHE 208 Ca -0.02 -0.27 0.05 0.00 -0.96 0.00 0.00 56.93 55.73 1ary s PHE 208 Cb -0.14 -4.63 -0.02 0.00 -0.34 0.00 0.00 43.02 37.90 1ary s PHE 208 CO -0.04 -2.02 0.22 -0.40 -1.46 0.00 0.00 175.22 171.52 1ary n ASP 209 N 9.17 -0.58 0.11 6.13 5.68 -1.26 -4.46 116.55 131.34 1ary n ASP 209 Ca 0.10 -2.57 0.12 0.00 -0.50 0.00 0.00 54.79 51.94 1ary n ASP 209 Cb 0.49 1.30 0.46 0.00 -1.14 0.00 0.00 41.12 42.23 1ary n ASP 209 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1ary n THR 210 N -0.46 0.72 -0.28 2.12 -1.04 -1.26 -4.26 114.28 109.82 1ary n THR 210 Ca 0.05 0.02 0.19 0.00 -2.04 0.00 0.00 64.05 62.27 1ary n THR 210 Cb 0.44 -0.91 0.47 0.00 -1.82 0.00 0.00 70.33 68.51 1ary n THR 210 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1ary h GLN 211 N 0.00 0.47 -0.80 -2.82 1.08 -1.92 -1.32 115.11 109.80 1ary h GLN 211 Ca 0.00 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 1ary h GLN 211 Cb 0.51 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.77 1ary h GLN 211 CO 0.00 0.31 0.47 0.35 -0.95 0.00 0.00 178.83 179.01 1ary h PHE 212 N 0.48 0.87 -0.18 2.96 3.57 -1.90 0.57 116.94 123.31 1ary h PHE 212 Ca 0.52 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.91 1ary h PHE 212 Cb 1.18 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1ary h PHE 212 CO -0.00 0.40 -0.46 1.88 -2.23 0.00 0.00 178.31 177.90 1ary h TYR 213 N 0.84 0.55 0.04 0.41 0.05 -1.56 -2.46 116.97 114.84 1ary h TYR 213 Ca 0.36 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 1ary h TYR 213 Cb 0.24 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1ary h TYR 213 CO -0.05 0.83 -0.02 0.82 -1.05 0.00 0.00 178.16 178.69 1ary h ILE 214 N 0.37 1.33 0.00 -2.88 2.04 -1.33 -3.28 117.51 113.75 1ary h ILE 214 Ca 0.02 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 1ary h ILE 214 Cb 0.95 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1ary h ILE 214 CO 0.08 0.31 -0.30 -0.33 0.00 0.00 0.00 178.15 177.92 1ary h GLU 215 N -0.61 0.00 0.00 2.37 5.08 -0.91 -2.37 114.58 118.14 1ary h GLU 215 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ary h GLU 215 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ary h GLU 215 CO 0.01 0.30 0.00 1.79 -1.00 0.00 0.00 179.01 180.11 1ary h THR 216 N 0.00 0.00 0.00 1.13 1.35 -1.54 -3.09 112.91 110.75 1ary h THR 216 Ca -0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1ary h THR 216 Cb 0.75 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1ary h THR 216 CO 0.04 0.00 -0.38 -0.11 -0.25 0.00 0.00 175.52 174.82 1ary n LEU 217 N -2.81 0.65 -4.78 3.87 7.94 -0.90 -4.85 117.00 116.11 1ary n LEU 217 Ca 0.03 0.32 -0.35 0.00 -1.11 0.00 0.00 56.01 54.90 1ary n LEU 217 Cb 0.40 -0.26 -0.02 0.00 0.53 0.00 0.00 43.42 44.07 1ary n LEU 217 CO 0.29 -0.06 0.76 -0.22 -1.11 0.00 0.00 177.39 177.04 1ary s LEU 218 N -4.06 3.86 0.23 -1.96 2.96 -1.17 -0.84 118.68 117.70 1ary s LEU 218 Ca 0.09 2.08 -0.31 0.00 -0.22 0.00 0.00 54.13 55.77 1ary s LEU 218 Cb 0.14 -4.49 -0.11 0.00 0.50 0.00 0.00 46.19 42.23 1ary s LEU 218 CO 0.67 -0.94 1.65 -0.54 -1.32 0.00 0.00 176.35 175.87 1ary s LYS 219 N -3.11 4.14 -0.23 1.98 1.02 0.10 -4.79 119.74 118.84 1ary s LYS 219 Ca 0.68 2.56 -0.29 0.00 0.02 0.00 0.00 55.97 58.94 1ary s LYS 219 Cb -0.21 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1ary s LYS 219 CO 0.25 -0.69 1.48 0.20 -0.92 0.00 0.00 175.35 175.68 1ary s GLY 220 N 0.91 1.33 0.00 -3.33 0.00 -1.26 -4.18 107.32 100.79 1ary s GLY 220 Ca 0.70 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1ary s GLY 220 CO 0.38 2.82 0.00 -1.30 0.00 0.00 0.00 173.10 175.00 1ary n THR 221 N 6.19 0.00 -5.08 0.90 -2.24 0.56 -4.81 114.28 109.80 1ary n THR 221 Ca 0.17 -0.09 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 1ary n THR 221 Cb 0.45 0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 69.08 1ary n THR 221 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ary s THR 222 N -1.58 2.45 -0.38 4.28 2.01 0.25 -4.93 115.64 117.74 1ary s THR 222 Ca 0.00 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.92 1ary s THR 222 Cb 0.00 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1ary s THR 222 CO 0.00 0.56 0.50 -1.58 -0.69 0.00 0.00 174.62 173.41 1ary s GLN 223 N 0.03 3.46 0.43 4.92 0.74 -1.26 -1.08 119.66 126.90 1ary s GLN 223 Ca -0.08 -0.34 0.24 0.00 0.05 0.00 0.00 55.36 55.23 1ary s GLN 223 Cb -0.15 -3.86 0.64 0.00 1.10 0.00 0.00 33.01 30.74 1ary s GLN 223 CO 0.05 -0.73 1.71 -1.00 -0.55 0.00 0.00 175.29 174.77 1ary h PRO 224 N 8.58 0.00 0.00 1.67 0.13 -1.90 -3.47 132.00 137.00 1ary h PRO 224 Ca -0.27 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.22 1ary h PRO 224 Cb 1.12 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.13 1ary h PRO 224 CO 0.79 0.17 -0.46 0.41 -0.23 0.00 0.00 178.00 178.67 1ary n GLY 225 N 0.67 3.59 0.33 1.56 0.00 -1.26 -4.69 105.19 105.38 1ary n GLY 225 Ca 0.02 -2.37 0.01 0.00 0.00 0.00 0.00 46.02 43.68 1ary n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ary h PRO 226 N 0.00 0.83 -4.93 1.61 0.11 -1.92 -3.44 132.00 124.26 1ary h PRO 226 Ca -0.40 -0.07 -0.49 0.00 0.11 0.00 0.00 66.00 65.15 1ary h PRO 226 Cb 1.22 -0.18 -0.13 0.00 0.11 0.00 0.00 31.00 32.03 1ary h PRO 226 CO 0.67 0.59 -0.49 -1.54 -0.21 0.00 0.00 178.00 177.02 1ary s SER 227 N -6.49 1.86 -0.19 -2.05 1.04 -1.26 -5.13 113.70 101.48 1ary s SER 227 Ca -0.10 -1.76 -0.10 0.00 0.48 0.00 0.00 55.95 54.47 1ary s SER 227 Cb 0.17 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.81 1ary s SER 227 CO 0.77 -1.06 0.13 -0.76 0.98 0.00 0.00 173.24 173.31 1ary s LEU 228 N -3.41 4.24 0.00 2.42 2.01 -1.26 -4.93 118.68 117.74 1ary s LEU 228 Ca 0.38 0.27 -0.06 0.00 0.01 0.00 0.00 54.13 54.73 1ary s LEU 228 Cb 0.02 -2.09 0.09 0.00 0.01 0.00 0.00 46.19 44.22 1ary s LEU 228 CO 0.26 0.21 0.49 0.61 1.01 0.00 0.00 176.35 178.94 1ary n GLY 229 N 3.28 -1.43 3.71 -3.19 0.00 -1.26 -4.95 105.19 101.35 1ary n GLY 229 Ca -0.17 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1ary n GLY 229 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ary s PHE 230 N -2.06 3.09 -1.48 1.61 5.36 -0.99 -2.71 117.98 120.81 1ary s PHE 230 Ca 0.28 0.85 -0.07 0.00 -0.96 0.00 0.00 56.93 57.04 1ary s PHE 230 Cb -0.01 -3.72 0.02 0.00 -0.34 0.00 0.00 43.02 38.98 1ary s PHE 230 CO 0.20 -2.58 0.73 0.00 -1.46 0.00 0.00 175.22 172.11 1ary n ALA 231 N 4.35 -1.08 -2.81 11.12 0.00 -1.26 -4.87 120.51 125.97 1ary n ALA 231 Ca 0.12 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 1ary n ALA 231 Cb 0.42 -4.09 -0.08 0.00 0.00 0.00 0.00 19.45 15.71 1ary n ALA 231 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ary s GLU 232 N -5.94 3.46 0.30 0.00 2.12 -1.10 -0.71 118.70 116.84 1ary s GLU 232 Ca 0.40 -0.24 0.10 0.00 0.36 0.00 0.00 54.97 55.59 1ary s GLU 232 Cb -0.19 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1ary s GLU 232 CO 0.50 0.64 -0.03 -1.21 -0.54 0.00 0.00 175.26 174.62 1ary s GLU 233 N -0.66 2.09 0.25 4.30 0.41 -0.64 -4.85 118.70 119.59 1ary s GLU 233 Ca 0.12 -1.62 -0.30 0.00 -0.41 0.00 0.00 54.97 52.76 1ary s GLU 233 Cb -0.12 -1.99 -0.10 0.00 -1.78 0.00 0.00 34.13 30.14 1ary s GLU 233 CO 0.02 0.26 1.38 -0.51 -0.49 0.00 0.00 175.26 175.92 1ary s LEU 234 N -3.66 4.40 0.50 1.80 1.02 -1.26 -4.22 118.68 117.25 1ary s LEU 234 Ca 0.33 2.59 0.07 0.00 0.02 0.00 0.00 54.13 57.14 1ary s LEU 234 Cb -0.03 -3.62 0.03 0.00 0.02 0.00 0.00 46.19 42.58 1ary s LEU 234 CO 0.19 -0.62 0.51 -0.94 0.02 0.00 0.00 176.35 175.51 1ary s SER 235 N 0.20 4.97 0.19 2.29 1.04 -0.24 -4.31 113.70 117.85 1ary s SER 235 Ca 0.57 -0.91 0.26 0.00 0.48 0.00 0.00 55.95 56.34 1ary s SER 235 Cb -0.40 -0.03 0.72 0.00 0.10 0.00 0.00 66.02 66.41 1ary s SER 235 CO 0.43 -0.98 1.69 -0.81 0.98 0.00 0.00 173.24 174.55 1ary n PRO 236 N -1.82 0.27 -3.47 4.02 -0.04 -1.26 -0.33 135.00 132.37 1ary n PRO 236 Ca 0.05 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.60 1ary n PRO 236 Cb 0.62 -1.79 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1ary n PRO 236 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ary s PHE 237 N -3.11 -0.44 0.36 0.54 -0.12 -1.26 -4.76 117.98 109.19 1ary s PHE 237 Ca 0.10 0.30 -0.27 0.00 -0.05 0.00 0.00 56.93 57.02 1ary s PHE 237 Cb 0.12 0.54 -0.12 0.00 -0.63 0.00 0.00 43.02 42.94 1ary s PHE 237 CO 0.62 -0.66 1.15 -2.30 -0.05 0.00 0.00 175.22 173.97 1ary n PRO 238 N -0.23 1.71 0.00 1.99 -0.02 -1.24 -2.85 135.00 134.36 1ary n PRO 238 Ca -0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1ary n PRO 238 Cb 0.63 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1ary n PRO 238 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ary n GLY 239 N 0.99 2.98 3.80 -1.23 0.00 -1.26 -0.54 105.19 109.93 1ary n GLY 239 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1ary n GLY 239 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ary s GLU 240 N -0.22 4.33 -0.05 1.61 2.12 -1.13 -3.84 118.70 121.52 1ary s GLU 240 Ca 0.00 0.89 -0.02 0.00 0.36 0.00 0.00 54.97 56.20 1ary s GLU 240 Cb 0.00 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1ary s GLU 240 CO 0.00 0.60 0.09 0.12 -0.54 0.00 0.00 175.26 175.53 1ary s PHE 241 N -1.15 3.36 -0.13 5.30 5.36 -0.04 -4.69 117.98 125.99 1ary s PHE 241 Ca 0.32 0.29 -0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1ary s PHE 241 Cb -0.21 -1.80 0.02 0.00 -0.34 0.00 0.00 43.02 40.70 1ary s PHE 241 CO 0.22 0.59 -0.10 0.50 -1.46 0.00 0.00 175.22 174.96 1ary s ARG 242 N -1.44 1.86 0.21 10.12 3.52 -1.26 -4.43 118.95 127.52 1ary s ARG 242 Ca 0.20 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.37 1ary s ARG 242 Cb -0.12 -1.81 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 1ary s ARG 242 CO 0.10 -0.26 0.45 0.00 -0.81 0.00 0.00 175.30 174.79 1ary s MET 243 N 1.61 3.62 0.15 5.12 0.23 -1.26 -1.63 119.30 127.14 1ary s MET 243 Ca 0.05 -0.08 -0.18 0.00 -1.03 0.00 0.00 55.69 54.45 1ary s MET 243 Cb -0.13 -2.76 0.05 0.00 -1.53 0.00 0.00 34.83 30.46 1ary s MET 243 CO -0.09 0.36 1.70 -0.09 -2.03 0.00 0.00 175.02 174.86 1ary h ARG 244 N 2.24 0.05 -0.78 3.16 2.43 -1.11 -1.99 114.38 118.37 1ary h ARG 244 Ca -0.47 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.76 1ary h ARG 244 Cb 1.18 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1ary h ARG 244 CO 0.69 0.03 0.47 0.66 -1.51 0.00 0.00 179.97 180.31 1ary h SER 245 N 0.05 0.72 -0.24 -3.80 4.64 -1.79 -0.72 113.55 112.41 1ary h SER 245 Ca 0.16 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1ary h SER 245 Cb 0.22 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1ary h SER 245 CO -0.29 0.46 0.03 0.44 -0.87 0.00 0.00 176.83 176.60 1ary h ASP 246 N 0.85 0.39 -0.78 4.97 3.32 -1.83 -1.54 116.42 121.80 1ary h ASP 246 Ca 0.34 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1ary h ASP 246 Cb 0.18 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1ary h ASP 246 CO -0.18 0.56 0.50 0.00 -1.72 0.00 0.00 179.24 178.40 1ary h ALA 247 N 0.84 1.01 -0.18 3.45 0.00 -0.76 -2.38 119.26 121.24 1ary h ALA 247 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1ary h ALA 247 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ary h ALA 247 CO 0.01 0.32 -0.29 -0.07 0.00 0.00 0.00 179.25 179.22 1ary h LEU 248 N 0.98 0.56 -1.42 0.00 4.07 -1.11 -3.07 115.31 115.31 1ary h LEU 248 Ca 0.31 -0.53 -0.02 0.00 0.08 0.00 0.00 57.88 57.71 1ary h LEU 248 Cb -0.01 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1ary h LEU 248 CO -0.10 0.98 0.15 -0.07 -1.08 0.00 0.00 178.44 178.32 1ary h LEU 249 N 0.15 0.48 -1.42 1.67 3.38 -1.19 0.17 115.31 118.56 1ary h LEU 249 Ca 0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1ary h LEU 249 Cb 0.87 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1ary h LEU 249 CO 0.07 0.45 -0.19 0.00 0.09 0.00 0.00 178.44 178.85 1ary h ALA 250 N 1.63 1.52 0.00 1.53 0.00 -1.42 -3.29 119.26 119.23 1ary h ALA 250 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ary h ALA 250 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ary h ALA 250 CO -0.01 0.35 -1.40 0.54 0.00 0.00 0.00 179.25 178.72 1ary n ARG 251 N -4.25 0.84 -2.36 0.00 1.74 -0.49 -4.36 116.66 107.78 1ary n ARG 251 Ca -0.01 -0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.56 1ary n ARG 251 Cb 0.29 -1.38 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1ary n ARG 251 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ary s ASP 252 N -3.47 7.10 0.56 0.55 -1.08 0.48 -4.81 116.67 116.01 1ary s ASP 252 Ca -0.01 2.35 0.26 0.00 -0.52 0.00 0.00 52.55 54.63 1ary s ASP 252 Cb 0.12 -2.63 1.56 0.00 -1.46 0.00 0.00 42.92 40.51 1ary s ASP 252 CO 0.73 -0.30 2.12 0.77 0.52 0.00 0.00 175.17 179.02 1ary h SER 253 N 4.14 0.00 1.42 -0.34 4.64 -1.91 0.22 113.55 121.72 1ary h SER 253 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1ary h SER 253 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ary h SER 253 CO 0.69 0.00 -0.15 0.03 -0.87 0.00 0.00 176.83 176.53 1ary h ARG 254 N 0.00 0.00 0.00 4.77 -0.00 -1.94 -3.36 114.38 113.85 1ary h ARG 254 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 1ary h ARG 254 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.36 1ary h ARG 254 CO -0.00 0.15 -0.33 0.25 0.00 0.00 0.00 179.97 180.04 1ary n THR 255 N -3.19 0.00 -0.23 2.04 -2.24 -0.51 -4.85 114.28 105.30 1ary n THR 255 Ca 0.02 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1ary n THR 255 Cb 0.49 0.76 0.33 0.00 -2.10 0.00 0.00 70.33 69.81 1ary n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ary h ALA 256 N 0.00 1.69 -0.04 6.98 0.00 -0.72 -1.87 119.26 125.30 1ary h ALA 256 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1ary h ALA 256 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ary h ALA 256 CO 0.00 0.17 -0.78 0.00 0.00 0.00 0.00 179.25 178.63 1ary h ARG 258 N 0.22 0.92 -0.39 0.00 9.65 -1.78 -1.45 114.38 121.55 1ary h ARG 258 Ca -0.04 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 1ary h ARG 258 Cb 1.37 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.91 1ary h ARG 258 CO 0.13 1.07 0.25 2.35 2.80 0.00 0.00 179.97 186.57 1ary h TRP 259 N 0.79 0.49 -0.81 2.20 2.91 -1.27 -2.28 115.95 117.97 1ary h TRP 259 Ca 0.09 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 1ary h TRP 259 Cb 0.83 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 29.27 1ary h TRP 259 CO 0.05 0.32 0.40 0.37 -1.03 0.00 0.00 178.44 178.55 1ary h GLN 260 N 0.52 1.16 0.00 2.65 4.15 -1.02 -2.53 115.11 120.04 1ary h GLN 260 Ca 0.14 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1ary h GLN 260 Cb -0.05 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.43 1ary h GLN 260 CO -0.03 0.88 0.00 0.66 -1.93 0.00 0.00 178.83 178.41 1ary h SER 261 N 1.14 0.00 0.73 -0.69 4.64 -0.89 -2.33 113.55 116.16 1ary h SER 261 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ary h SER 261 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1ary h SER 261 CO -0.04 0.00 -0.02 0.23 -0.87 0.00 0.00 176.83 176.14 1ary n MET 262 N -2.89 0.26 0.17 4.77 2.81 -0.89 -4.18 117.12 117.17 1ary n MET 262 Ca 0.01 -0.01 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 1ary n MET 262 Cb 0.28 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.52 1ary n MET 262 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1ary h THR 263 N 0.02 0.00 -0.00 2.03 1.35 -1.46 -3.39 112.91 111.46 1ary h THR 263 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1ary h THR 263 Cb 0.38 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1ary h THR 263 CO 0.00 0.00 -0.12 -1.54 -0.25 0.00 0.00 175.52 173.61 1ary n SER 264 N -2.78 1.02 -3.72 5.36 3.41 -1.26 -4.85 113.62 110.81 1ary n SER 264 Ca 0.04 -1.01 -0.23 0.00 -0.26 0.00 0.00 58.87 57.41 1ary n SER 264 Cb 0.50 0.42 -0.17 0.00 -0.26 0.00 0.00 64.21 64.69 1ary n SER 264 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ary s SER 265 N -0.97 1.75 0.22 4.04 0.15 -1.26 -4.79 113.70 112.83 1ary s SER 265 Ca 0.05 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 1ary s SER 265 Cb 0.05 -0.37 0.20 0.00 -1.71 0.00 0.00 66.02 64.19 1ary s SER 265 CO 0.15 -0.24 1.61 0.78 1.20 0.00 0.00 173.24 176.74 1ary h ASN 266 N 8.35 0.70 -0.71 5.45 2.35 -1.91 -1.70 115.58 128.11 1ary h ASN 266 Ca -0.17 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.26 1ary h ASN 266 Cb 1.13 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 1ary h ASN 266 CO 0.25 0.96 0.27 -0.08 -1.65 0.00 0.00 177.43 177.18 1ary h GLU 267 N 0.57 1.07 -0.08 0.81 4.81 -1.97 -0.46 114.58 119.34 1ary h GLU 267 Ca 0.06 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1ary h GLU 267 Cb 0.82 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1ary h GLU 267 CO 0.07 0.90 -0.01 0.28 -0.73 0.00 0.00 179.01 179.52 1ary h VAL 268 N 1.02 1.27 -0.55 0.32 2.07 -1.94 -2.57 116.25 115.87 1ary h VAL 268 Ca 0.23 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1ary h VAL 268 Cb 0.24 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1ary h VAL 268 CO -0.02 0.24 0.33 -0.03 0.02 0.00 0.00 177.57 178.11 1ary h MET 269 N -0.16 0.62 -0.73 1.57 1.85 -1.20 -2.11 114.93 114.77 1ary h MET 269 Ca 0.02 -0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 1ary h MET 269 Cb 0.38 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.24 1ary h MET 269 CO 0.01 0.41 0.23 0.78 -0.40 0.00 0.00 176.91 177.93 1ary h GLY 270 N 0.64 1.22 1.28 1.39 0.00 -1.03 -1.61 103.07 104.96 1ary h GLY 270 Ca 0.23 -0.72 -0.18 0.00 0.00 0.00 0.00 47.33 46.66 1ary h GLY 270 CO -0.11 0.67 -0.55 -1.61 0.00 0.00 0.00 176.54 174.94 1ary h GLN 271 N 1.09 0.76 -0.38 4.80 5.75 -1.26 -1.37 115.11 124.49 1ary h GLN 271 Ca 0.24 -0.48 -0.07 0.00 -0.15 0.00 0.00 58.65 58.19 1ary h GLN 271 Cb 0.31 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1ary h GLN 271 CO -0.01 1.11 -0.01 0.00 -2.65 0.00 0.00 178.83 177.27 1ary h ARG 272 N 0.58 0.69 -0.22 1.69 3.08 -1.28 -2.31 114.38 116.61 1ary h ARG 272 Ca 0.01 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1ary h ARG 272 Cb 1.14 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1ary h ARG 272 CO 0.12 0.79 0.14 -0.92 -1.07 0.00 0.00 179.97 179.03 1ary h TYR 273 N 0.51 0.27 -0.63 3.04 3.20 -1.26 -1.05 116.97 121.05 1ary h TYR 273 Ca 0.11 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.06 1ary h TYR 273 Cb 0.49 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1ary h TYR 273 CO 0.04 0.17 0.31 -0.09 -1.64 0.00 0.00 178.16 176.95 1ary h ARG 274 N 0.29 0.54 -0.33 1.82 2.43 -1.13 0.15 114.38 118.14 1ary h ARG 274 Ca 0.08 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ary h ARG 274 Cb -0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1ary h ARG 274 CO -0.02 0.36 0.10 0.00 -1.51 0.00 0.00 179.97 178.90 1ary h ALA 275 N 1.38 0.44 -0.54 2.80 0.00 -1.17 -1.16 119.26 121.01 1ary h ALA 275 Ca 0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ary h ALA 275 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ary h ALA 275 CO -0.23 0.08 0.01 0.00 0.00 0.00 0.00 179.25 179.11 1ary h ALA 276 N 0.94 0.72 -0.63 0.00 0.00 -0.35 -2.52 119.26 117.41 1ary h ALA 276 Ca 0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1ary h ALA 276 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ary h ALA 276 CO -0.00 0.53 0.16 0.52 0.00 0.00 0.00 179.25 180.46 1ary h MET 277 N 0.82 0.99 -0.53 0.00 2.07 -0.70 -1.47 114.93 116.11 1ary h MET 277 Ca 0.15 -0.22 -0.01 0.00 -2.07 0.00 0.00 59.70 57.55 1ary h MET 277 Cb 0.52 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.08 1ary h MET 277 CO 0.03 0.88 0.28 0.00 1.07 0.00 0.00 176.91 179.17 1ary h ALA 278 N 1.22 1.51 -0.12 6.32 0.00 -0.89 -0.82 119.26 126.48 1ary h ALA 278 Ca 0.20 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1ary h ALA 278 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ary h ALA 278 CO -0.00 0.41 -0.29 -0.22 0.00 0.00 0.00 179.25 179.15 1ary h LYS 279 N 0.73 0.41 -0.41 0.00 3.64 -1.00 -3.08 116.57 116.87 1ary h LYS 279 Ca 0.19 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ary h LYS 279 Cb 0.03 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1ary h LYS 279 CO -0.03 0.89 0.26 1.98 -2.27 0.00 0.00 179.45 180.27 1ary h MET 280 N 0.00 0.54 0.00 1.90 4.05 -0.99 -2.91 114.93 117.53 1ary h MET 280 Ca -0.00 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1ary h MET 280 Cb 0.89 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.57 1ary h MET 280 CO 0.06 0.38 -0.01 0.66 0.23 0.00 0.00 176.91 178.23 1ary h SER 281 N 0.56 0.00 -0.23 1.39 4.64 -1.06 -2.90 113.55 115.96 1ary h SER 281 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1ary h SER 281 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1ary h SER 281 CO -0.03 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.27 1ary n VAL 282 N -3.11 1.87 -1.81 0.95 0.24 -1.10 -4.75 118.33 110.64 1ary n VAL 282 Ca -0.01 -1.69 -0.42 0.00 -2.04 0.00 0.00 64.34 60.18 1ary n VAL 282 Cb 0.20 -0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.49 1ary n VAL 282 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ary s LEU 283 N -2.33 4.39 0.00 1.34 1.02 -1.09 -0.78 118.68 121.23 1ary s LEU 283 Ca 0.34 2.55 0.00 0.00 0.02 0.00 0.00 54.13 57.04 1ary s LEU 283 Cb 0.26 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.93 1ary s LEU 283 CO 0.09 -0.98 0.00 0.61 0.02 0.00 0.00 176.35 176.09 1ary n GLY 284 N 4.29 0.47 3.31 -3.19 0.00 -1.26 -1.47 105.19 107.34 1ary n GLY 284 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 1ary n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ary s PHE 285 N -2.19 1.49 -0.32 1.61 0.40 0.04 -4.95 117.98 114.06 1ary s PHE 285 Ca 0.00 -1.14 -0.09 0.00 -0.60 0.00 0.00 56.93 55.10 1ary s PHE 285 Cb 0.00 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.67 1ary s PHE 285 CO 0.00 -0.30 0.15 0.34 0.70 0.00 0.00 175.22 176.11 1ary s ASP 286 N -3.29 5.49 0.61 1.36 2.15 -1.26 -4.93 116.67 116.80 1ary s ASP 286 Ca 0.35 -0.67 0.41 0.00 0.43 0.00 0.00 52.55 53.07 1ary s ASP 286 Cb 0.07 -1.98 2.11 0.00 -0.30 0.00 0.00 42.92 42.83 1ary s ASP 286 CO 0.12 -0.23 2.23 0.08 -0.17 0.00 0.00 175.17 177.20 1ary h ARG 287 N 8.34 0.00 0.00 4.34 0.11 -1.96 -0.04 114.38 125.16 1ary h ARG 287 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1ary h ARG 287 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1ary h ARG 287 CO 0.62 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.78 1ary n ASN 288 N -3.01 0.00 -0.67 0.08 5.03 -1.26 -2.22 115.26 113.22 1ary n ASN 288 Ca -0.02 -0.03 0.12 0.00 0.87 0.00 0.00 54.58 55.51 1ary n ASN 288 Cb 0.12 -0.30 0.06 0.00 -1.02 0.00 0.00 39.78 38.64 1ary n ASN 288 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ary n ALA 289 N -1.30 3.11 -2.89 5.41 0.00 -0.03 -4.98 120.51 119.83 1ary n ALA 289 Ca 0.11 -0.65 -0.24 0.00 0.00 0.00 0.00 53.44 52.67 1ary n ALA 289 Cb 0.21 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 1ary n ALA 289 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ary s LEU 290 N -2.29 4.27 -0.17 0.00 1.43 -0.94 -4.93 118.68 116.04 1ary s LEU 290 Ca 0.23 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 1ary s LEU 290 Cb 0.19 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1ary s LEU 290 CO 0.46 -0.07 0.08 -0.89 0.23 0.00 0.00 176.35 176.16 1ary s THR 291 N -1.95 4.94 -0.13 5.49 2.01 0.25 -4.90 115.64 121.34 1ary s THR 291 Ca 0.36 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 1ary s THR 291 Cb -0.10 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1ary s THR 291 CO 0.30 0.48 0.97 -0.62 -0.69 0.00 0.00 174.62 175.06 1ary s ASP 292 N 0.17 7.17 -0.21 3.53 -1.08 -1.26 -0.69 116.67 124.29 1ary s ASP 292 Ca 0.06 1.44 0.17 0.00 -0.52 0.00 0.00 52.55 53.69 1ary s ASP 292 Cb -0.12 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.27 1ary s ASP 292 CO 0.00 -0.45 1.16 0.00 0.52 0.00 0.00 175.17 176.40 1ary h SER 294 N 1.89 0.00 0.23 0.00 0.02 -1.81 -2.06 113.55 111.82 1ary h SER 294 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1ary h SER 294 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1ary h SER 294 CO 0.30 0.08 0.00 -2.24 -1.14 0.00 0.00 176.83 173.83 1ary h ASP 295 N 0.00 0.00 1.15 3.07 3.04 -1.90 -1.55 116.42 120.24 1ary h ASP 295 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1ary h ASP 295 Cb 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 1ary h ASP 295 CO 0.01 0.00 0.00 0.58 -2.04 0.00 0.00 179.24 177.79 1ary h VAL 296 N 0.00 0.00 -3.14 4.15 2.07 -1.77 -3.44 116.25 114.12 1ary h VAL 296 Ca 0.00 -0.52 -0.57 0.00 0.82 0.00 0.00 66.70 66.43 1ary h VAL 296 Cb 0.12 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1ary h VAL 296 CO 0.00 0.00 0.72 -0.63 0.02 0.00 0.00 177.57 177.68 1ary s ILE 297 N -3.45 4.72 0.71 4.57 -1.09 -0.58 -5.03 121.20 121.04 1ary s ILE 297 Ca 0.04 2.04 -0.11 0.00 -2.23 0.00 0.00 60.65 60.38 1ary s ILE 297 Cb 0.09 -4.31 0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1ary s ILE 297 CO 0.53 -0.12 1.08 -2.16 -1.23 0.00 0.00 174.94 173.04 1ary s PRO 298 N 2.78 2.83 0.53 2.79 0.04 -1.26 -5.05 135.00 137.66 1ary s PRO 298 Ca 0.46 0.63 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 1ary s PRO 298 Cb -0.16 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1ary s PRO 298 CO 0.10 -1.09 1.00 -1.12 0.04 0.00 0.00 177.00 175.93 1ary s SER 299 N -4.14 6.50 0.37 6.66 0.01 -1.26 -4.82 113.70 117.02 1ary s SER 299 Ca 0.58 1.61 0.01 0.00 1.31 0.00 0.00 55.95 59.46 1ary s SER 299 Cb -0.12 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1ary s SER 299 CO 0.53 -0.68 0.58 0.00 0.41 0.00 0.00 173.24 174.09 1ary s ALA 300 N -2.60 3.73 0.47 1.44 0.00 -1.26 -4.90 121.76 118.64 1ary s ALA 300 Ca 0.60 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1ary s ALA 300 Cb -0.11 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.82 1ary s ALA 300 CO 0.32 -0.11 1.05 0.14 0.00 0.00 0.00 175.76 177.16 1ary s VAL 301 N -2.38 3.69 0.43 0.00 -7.23 -1.26 -4.87 120.40 108.78 1ary s VAL 301 Ca 0.42 1.12 -0.22 0.00 -1.81 0.00 0.00 61.98 61.50 1ary s VAL 301 Cb -0.10 -3.49 -0.10 0.00 0.56 0.00 0.00 36.38 33.25 1ary s VAL 301 CO 0.36 -0.16 0.98 -0.44 -0.31 0.00 0.00 175.10 175.53 1ary s SER 302 N -1.83 6.82 -0.37 4.85 0.01 -1.26 -1.71 113.70 120.21 1ary s SER 302 Ca 0.65 1.79 -0.16 0.00 1.31 0.00 0.00 55.95 59.54 1ary s SER 302 Cb -0.19 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.49 1ary s SER 302 CO 0.23 -0.45 0.41 0.21 0.41 0.00 0.00 173.24 174.05 1ary s ASN 303 N -2.02 6.21 0.00 2.44 2.47 -1.26 -4.61 114.94 118.16 1ary s ASN 303 Ca 0.62 -0.32 0.23 0.00 0.42 0.00 0.00 52.86 53.81 1ary s ASN 303 Cb -0.13 -2.22 0.45 0.00 -1.45 0.00 0.00 41.25 37.90 1ary s ASN 303 CO 0.17 -0.43 1.41 0.59 -3.72 0.00 0.00 177.10 175.12 1ary n ASN 304 N 5.51 3.21 -4.79 -4.21 5.03 -1.26 -4.94 115.26 113.81 1ary n ASN 304 Ca -0.08 -1.96 -0.37 0.00 0.87 0.00 0.00 54.58 53.04 1ary n ASN 304 Cb 0.49 -0.21 -0.06 0.00 -1.02 0.00 0.00 39.78 38.97 1ary n ASN 304 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ary s ALA 305 N -1.57 3.35 0.35 5.41 0.00 -1.26 -5.06 121.76 122.98 1ary s ALA 305 Ca 0.37 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 1ary s ALA 305 Cb 0.22 -2.99 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 1ary s ALA 305 CO 0.31 0.26 0.82 0.00 0.00 0.00 0.00 175.76 177.15 1ary s ALA 306 N -1.45 3.23 0.29 0.00 0.00 -1.26 -5.04 121.76 117.53 1ary s ALA 306 Ca 0.44 0.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 1ary s ALA 306 Cb -0.19 -2.92 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 1ary s ALA 306 CO 0.24 0.26 1.29 -0.35 0.00 0.00 0.00 175.76 177.19 1ary n PRO 307 N -0.37 1.95 -4.03 0.00 -0.04 -1.26 -5.02 135.00 126.23 1ary n PRO 307 Ca 0.04 0.69 -0.08 0.00 -0.04 0.00 0.00 63.50 64.11 1ary n PRO 307 Cb 0.53 -2.26 -0.11 0.00 -0.04 0.00 0.00 33.50 31.62 1ary n PRO 307 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ary s VAL 308 N -0.70 0.18 -0.32 0.52 -7.23 -1.26 -3.74 120.40 107.85 1ary s VAL 308 Ca 0.61 -1.28 -0.16 0.00 -1.81 0.00 0.00 61.98 59.34 1ary s VAL 308 Cb -0.62 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 1ary s VAL 308 CO 0.57 -0.69 0.41 -0.63 -0.31 0.00 0.00 175.10 174.45 1ary s ILE 309 N -2.43 5.13 0.90 -0.62 1.01 0.26 -4.95 121.20 120.50 1ary s ILE 309 Ca -0.07 0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 1ary s ILE 309 Cb -0.03 -3.81 0.13 0.00 0.01 0.00 0.00 42.46 38.76 1ary s ILE 309 CO -0.04 -0.03 1.11 -2.84 0.00 0.00 0.00 174.94 173.14 1ary s PRO 310 N 2.13 1.24 -1.28 2.79 0.02 -1.26 -3.11 135.00 135.53 1ary s PRO 310 Ca 0.15 0.48 -0.13 0.00 0.02 0.00 0.00 61.00 61.52 1ary s PRO 310 Cb -0.16 -1.83 0.12 0.00 0.02 0.00 0.00 34.50 32.64 1ary s PRO 310 CO 0.11 -2.17 0.47 0.41 -0.33 0.00 0.00 177.00 175.50 1ary n GLY 311 N -1.84 -0.46 1.89 0.52 0.00 -1.26 -2.09 105.19 101.96 1ary n GLY 311 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ary n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ary n GLY 312 N -1.05 2.01 3.71 -0.02 0.00 -0.88 -3.65 105.19 105.31 1ary n GLY 312 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1ary n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ary s LEU 313 N 0.00 2.73 0.00 0.99 1.43 -0.89 -4.92 118.68 118.03 1ary s LEU 313 Ca 0.00 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1ary s LEU 313 Cb 0.00 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.83 1ary s LEU 313 CO 0.00 -2.63 0.00 0.35 0.23 0.00 0.00 176.35 174.30 1ary n THR 314 N -3.91 0.00 0.26 5.49 -2.24 -1.26 -4.70 114.28 107.92 1ary n THR 314 Ca 0.09 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 1ary n THR 314 Cb 0.53 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.47 1ary n THR 314 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1ary h VAL 315 N 0.97 0.44 0.00 2.28 3.04 -1.95 -1.64 116.25 119.40 1ary h VAL 315 Ca 0.00 -0.60 -0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1ary h VAL 315 Cb 0.00 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1ary h VAL 315 CO 0.00 0.11 -0.01 0.44 -1.01 0.00 0.00 177.57 177.11 1ary h ASP 316 N 0.00 0.00 0.10 3.17 3.32 -2.01 -1.44 116.42 119.56 1ary h ASP 316 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ary h ASP 316 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ary h ASP 316 CO 0.02 0.01 -0.28 0.47 -1.72 0.00 0.00 179.24 177.73 1ary n ASP 317 N -3.14 1.56 -4.74 6.45 8.00 -0.62 -4.87 116.55 119.19 1ary n ASP 317 Ca -0.02 -1.25 -0.39 0.00 0.71 0.00 0.00 54.79 53.84 1ary n ASP 317 Cb 0.13 0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 1ary n ASP 317 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1ary s ILE 318 N -2.40 4.94 -1.22 0.53 1.10 -0.54 -0.72 121.20 122.89 1ary s ILE 318 Ca 0.24 1.39 -0.13 0.00 -0.51 0.00 0.00 60.65 61.65 1ary s ILE 318 Cb 0.19 -4.01 0.18 0.00 0.15 0.00 0.00 42.46 38.97 1ary s ILE 318 CO 0.50 0.33 1.52 -0.62 -2.11 0.00 0.00 174.94 174.56 1ary n GLU 319 N 3.23 3.44 -1.62 3.50 1.02 -0.02 -4.93 120.64 125.26 1ary n GLU 319 Ca -0.04 -3.81 -0.45 0.00 -0.02 0.00 0.00 57.16 52.84 1ary n GLU 319 Cb 0.51 -3.00 -0.04 0.00 -0.02 0.00 0.00 31.44 28.90 1ary n GLU 319 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ary n VAL 320 N 4.24 0.52 0.47 2.62 0.31 -1.26 -4.87 118.33 120.36 1ary n VAL 320 Ca 0.37 -0.26 0.06 0.00 -0.01 0.00 0.00 64.34 64.50 1ary n VAL 320 Cb 0.41 -2.23 0.04 0.00 -0.91 0.00 0.00 33.84 31.15 1ary n VAL 320 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ary n SER 321 N 9.02 1.89 -4.41 4.52 7.64 -1.26 -4.90 113.62 126.11 1ary n SER 321 Ca 0.26 -1.44 -0.44 0.00 1.01 0.00 0.00 58.87 58.26 1ary n SER 321 Cb 0.38 0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.53 1ary n SER 321 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ary h PRO 323 N 8.75 0.00 0.00 0.00 0.14 -1.97 -3.23 132.00 135.69 1ary h PRO 323 Ca -0.28 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.84 1ary h PRO 323 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.25 1ary h PRO 323 CO 0.85 0.16 -1.52 -1.13 0.14 0.00 0.00 178.00 176.50 1ary n SER 324 N -3.60 0.44 -4.36 1.44 3.41 -1.26 -4.91 113.62 104.78 1ary n SER 324 Ca -0.01 0.17 -0.33 0.00 -0.26 0.00 0.00 58.87 58.44 1ary n SER 324 Cb 0.29 1.17 -0.15 0.00 -0.26 0.00 0.00 64.21 65.26 1ary n SER 324 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ary s GLU 325 N -3.39 3.12 0.56 4.33 2.12 -1.22 -5.11 118.70 119.10 1ary s GLU 325 Ca -0.04 -0.74 -0.21 0.00 0.36 0.00 0.00 54.97 54.35 1ary s GLU 325 Cb 0.11 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 1ary s GLU 325 CO 0.85 0.29 1.27 -2.14 -0.54 0.00 0.00 175.26 174.99 1ary s PRO 326 N 0.12 3.12 0.31 4.30 0.02 -1.26 -4.79 135.00 136.84 1ary s PRO 326 Ca -0.08 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 1ary s PRO 326 Cb -0.15 -2.13 -0.10 0.00 0.02 0.00 0.00 34.50 32.14 1ary s PRO 326 CO 0.05 -1.13 1.41 0.12 -0.33 0.00 0.00 177.00 177.12 1ary s PHE 327 N -1.45 2.91 0.53 6.54 5.36 -1.26 -4.95 117.98 125.66 1ary s PHE 327 Ca 0.73 1.20 -0.21 0.00 -0.96 0.00 0.00 56.93 57.69 1ary s PHE 327 Cb -0.35 -3.83 -0.07 0.00 -0.34 0.00 0.00 43.02 38.43 1ary s PHE 327 CO 0.40 -2.49 1.08 -2.30 -1.46 0.00 0.00 175.22 170.45 1ary n PRO 328 N 1.28 1.27 -2.44 10.12 -0.02 -1.26 -4.91 135.00 139.04 1ary n PRO 328 Ca 0.03 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1ary n PRO 328 Cb 0.40 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1ary n PRO 328 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ary s GLU 329 N -2.53 3.08 0.15 -0.52 0.41 -1.26 -4.97 118.70 113.05 1ary s GLU 329 Ca 0.70 -0.04 0.06 0.00 -0.41 0.00 0.00 54.97 55.28 1ary s GLU 329 Cb -0.46 -4.22 -0.04 0.00 -1.78 0.00 0.00 34.13 27.63 1ary s GLU 329 CO 0.51 -2.26 0.03 0.42 -0.49 0.00 0.00 175.26 173.47 1ary s ILE 330 N 6.42 3.95 0.64 -1.63 1.01 -1.26 -5.11 121.20 125.23 1ary s ILE 330 Ca 0.42 -1.24 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 1ary s ILE 330 Cb -0.09 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1ary s ILE 330 CO 0.17 -0.05 1.08 0.00 0.00 0.00 0.00 174.94 176.14 1ary s ALA 331 N -1.62 2.59 0.36 9.38 0.00 -1.25 -4.87 121.76 126.36 1ary s ALA 331 Ca 0.28 0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1ary s ALA 331 Cb -0.10 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ary s ALA 331 CO 0.19 -1.11 0.22 0.99 0.00 0.00 0.00 175.76 176.05 1ary s THR 332 N -2.50 2.96 0.06 0.00 2.01 -1.26 -0.57 115.64 116.34 1ary s THR 332 Ca 0.64 -1.57 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1ary s THR 332 Cb -0.18 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1ary s THR 332 CO 0.42 -0.13 -0.19 0.00 -0.69 0.00 0.00 174.62 174.04 1ary s ALA 333 N -2.43 1.61 -0.96 7.40 0.00 -1.18 -4.84 121.76 121.35 1ary s ALA 333 Ca 0.40 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 1ary s ALA 333 Cb -0.02 -0.27 0.20 0.00 0.00 0.00 0.00 23.12 23.03 1ary s ALA 333 CO 0.24 0.34 1.02 -1.12 0.00 0.00 0.00 175.76 176.24 1ary s SER 334 N -1.36 6.89 0.32 0.00 0.01 -1.26 -2.08 113.70 116.23 1ary s SER 334 Ca 0.05 -2.75 -0.15 0.00 1.31 0.00 0.00 55.95 54.41 1ary s SER 334 Cb -0.09 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.89 1ary s SER 334 CO 0.02 -0.66 0.68 -0.83 0.41 0.00 0.00 173.24 172.86 1ary s GLY 335 N 2.45 0.40 0.87 3.44 0.00 -1.26 -4.92 107.32 108.30 1ary s GLY 335 Ca 0.28 -0.73 -0.12 0.00 0.00 0.00 0.00 44.72 44.14 1ary s GLY 335 CO -0.08 -0.38 1.17 2.56 0.00 0.00 0.00 173.10 176.37 1ary s PRO 336 N -3.18 1.45 0.32 2.90 0.04 -1.26 -3.37 135.00 131.90 1ary s PRO 336 Ca 0.17 0.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.09 1ary s PRO 336 Cb -0.04 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1ary s PRO 336 CO 0.11 -1.96 1.40 -0.51 0.04 0.00 0.00 177.00 176.08 1ary s LEU 337 N -5.83 4.38 0.88 -3.56 1.43 -1.24 -4.34 118.68 110.40 1ary s LEU 337 Ca 0.64 2.81 -0.12 0.00 -1.03 0.00 0.00 54.13 56.42 1ary s LEU 337 Cb -0.12 -3.65 0.12 0.00 0.03 0.00 0.00 46.19 42.57 1ary s LEU 337 CO 0.51 -0.69 1.10 -2.16 0.23 0.00 0.00 176.35 175.34 1ary s PRO 338 N -1.50 1.39 -0.10 1.29 0.04 -1.26 -4.99 135.00 129.87 1ary s PRO 338 Ca 0.53 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1ary s PRO 338 Cb -0.43 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1ary s PRO 338 CO 0.54 -2.11 -0.10 0.45 0.04 0.00 0.00 177.00 175.82 1ary s SER 339 N -3.65 2.09 -0.09 6.66 0.15 -1.25 -3.69 113.70 113.91 1ary s SER 339 Ca 0.63 -0.32 -0.19 0.00 0.70 0.00 0.00 55.95 56.77 1ary s SER 339 Cb -0.16 -0.87 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1ary s SER 339 CO 0.56 -0.07 0.53 -0.76 1.20 0.00 0.00 173.24 174.71 1ary s LEU 340 N 1.36 4.30 0.65 3.45 1.43 0.30 -4.93 118.68 125.24 1ary s LEU 340 Ca -0.01 0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 53.89 1ary s LEU 340 Cb -0.14 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 1ary s LEU 340 CO -0.05 -0.00 1.06 0.00 0.23 0.00 0.00 176.35 177.59 1ary s ALA 341 N 0.53 2.71 0.68 4.21 0.00 -1.26 -4.48 121.76 124.15 1ary s ALA 341 Ca 0.29 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.30 1ary s ALA 341 Cb -0.16 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1ary s ALA 341 CO 0.13 -1.02 0.90 -2.30 0.00 0.00 0.00 175.76 173.46 1ary n PRO 342 N -2.62 0.61 -2.32 0.00 -0.02 -1.26 -4.62 135.00 124.76 1ary n PRO 342 Ca 0.08 0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 61.46 1ary n PRO 342 Cb 0.53 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1ary n PRO 342 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ary s ALA 343 N -1.72 2.88 -2.00 3.55 0.00 0.04 -4.96 121.76 119.55 1ary s ALA 343 Ca 0.73 0.83 0.13 0.00 0.00 0.00 0.00 51.96 53.66 1ary s ALA 343 Cb -0.37 -3.35 0.78 0.00 0.00 0.00 0.00 23.12 20.18 1ary s ALA 343 CO 0.50 -0.61 1.21 -2.30 0.00 0.00 0.00 175.76 174.56