#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s GLU 2 N 0.00 0.84 -0.01 2.12 -1.05 -1.26 -4.25 118.70 115.09 3i8i s GLU 2 Ca 0.00 0.33 0.08 0.00 -0.15 0.00 0.00 54.97 55.23 3i8i s GLU 2 Cb 0.00 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 3i8i s GLU 2 CO 0.00 -0.21 -0.26 0.00 0.95 0.00 0.00 175.26 175.74 3i8i s ALA 3 N -0.73 2.15 0.35 -0.84 0.00 -0.76 -4.96 121.76 116.97 3i8i s ALA 3 Ca -0.08 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.78 3i8i s ALA 3 Cb -0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 3i8i s ALA 3 CO 0.06 0.53 0.09 -1.59 0.00 0.00 0.00 175.76 174.84 3i8i s LYS 4 N -0.68 1.72 -0.20 0.00 -2.85 -1.26 0.10 119.74 116.57 3i8i s LYS 4 Ca 0.10 -1.99 -0.18 0.00 -1.00 0.00 0.00 55.97 52.90 3i8i s LYS 4 Cb -0.10 -0.69 0.05 0.00 -2.06 0.00 0.00 37.83 35.03 3i8i s LYS 4 CO -0.01 -0.31 0.54 0.00 0.10 0.00 0.00 175.35 175.67 3i8i s ALA 5 N -3.33 -1.33 -0.09 0.59 0.00 -0.95 -4.54 121.76 112.10 3i8i s ALA 5 Ca 0.32 1.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.81 3i8i s ALA 5 Cb 0.06 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3i8i s ALA 5 CO 0.15 -0.26 -0.03 0.42 0.00 0.00 0.00 175.76 176.04 3i8i s ILE 6 N 0.38 0.63 -0.51 0.00 1.01 -1.26 -2.00 121.20 119.44 3i8i s ILE 6 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 3i8i s ILE 6 Cb -0.04 -0.75 0.11 0.00 0.01 0.00 0.00 42.46 41.79 3i8i s ILE 6 CO -0.01 0.28 0.46 0.00 0.00 0.00 0.00 174.94 175.67 3i8i s ALA 7 N 1.87 3.61 -0.05 9.38 0.00 0.16 -4.96 121.76 131.76 3i8i s ALA 7 Ca 0.05 -2.41 -0.18 0.00 0.00 0.00 0.00 51.96 49.42 3i8i s ALA 7 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 3i8i s ALA 7 CO -0.06 -1.92 0.50 1.03 0.00 0.00 0.00 175.76 175.30 3i8i s ARG 8 N 1.60 4.24 -0.48 0.00 0.52 -1.26 -0.77 118.95 122.80 3i8i s ARG 8 Ca 0.03 0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 55.76 3i8i s ARG 8 Cb -0.28 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 31.84 3i8i s ARG 8 CO 0.04 0.35 0.41 0.66 0.02 0.00 0.00 175.30 176.78 3i8i n TYR 9 N 2.94 -0.98 -2.68 -0.53 4.02 -0.58 -4.97 117.16 114.37 3i8i n TYR 9 Ca -0.09 0.36 -0.34 0.00 -0.01 0.00 0.00 57.90 57.82 3i8i n TYR 9 Cb 0.52 -2.67 -0.05 0.00 -0.02 0.00 0.00 39.34 37.11 3i8i n TYR 9 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i8i s VAL 10 N -3.12 4.07 -1.17 -0.72 1.01 0.98 -4.82 120.40 116.62 3i8i s VAL 10 Ca 0.15 1.38 -0.13 0.00 0.00 0.00 0.00 61.98 63.38 3i8i s VAL 10 Cb -0.07 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 32.89 3i8i s VAL 10 CO 0.27 -0.18 1.35 -0.60 0.00 0.00 0.00 175.10 175.93 3i8i s ARG 11 N -2.95 4.09 -0.28 2.72 3.00 -1.26 -0.87 118.95 123.40 3i8i s ARG 11 Ca 0.62 -2.68 -0.24 0.00 -1.00 0.00 0.00 55.73 52.43 3i8i s ARG 11 Cb -0.15 -4.94 0.10 0.00 0.00 0.00 0.00 34.95 29.96 3i8i s ARG 11 CO 0.19 -1.65 0.88 -1.50 0.00 0.00 0.00 175.30 173.21 3i8i s ILE 12 N 1.02 0.00 0.12 4.11 2.07 -1.10 -4.98 121.20 122.45 3i8i s ILE 12 Ca 0.39 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.33 3i8i s ILE 12 Cb -0.04 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.47 3i8i s ILE 12 CO -0.02 0.00 1.33 -0.55 -1.91 0.00 0.00 174.94 173.79 3i8i s SER 13 N 0.43 6.90 0.08 4.50 0.15 -1.24 -2.36 113.70 122.16 3i8i s SER 13 Ca 0.00 2.28 -0.17 0.00 0.70 0.00 0.00 55.95 58.76 3i8i s SER 13 Cb -0.05 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 3i8i s SER 13 CO -0.04 -0.58 1.30 -0.65 1.20 0.00 0.00 173.24 174.46 3i8i h PRO 14 N 6.47 -0.09 -0.91 5.44 0.11 -1.88 -0.36 132.00 140.78 3i8i h PRO 14 Ca -0.43 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.85 3i8i h PRO 14 Cb 1.21 0.02 -0.16 0.00 0.11 0.00 0.00 31.00 32.18 3i8i h PRO 14 CO 0.83 -0.06 -0.30 -2.13 -0.21 0.00 0.00 178.00 176.13 3i8i n ARG 15 N -4.20 -0.16 -0.03 1.05 0.63 -1.26 0.05 116.66 112.74 3i8i n ARG 15 Ca -0.00 1.41 -0.08 0.00 -0.92 0.00 0.00 57.85 58.25 3i8i n ARG 15 Cb 0.16 -2.10 -0.02 0.00 0.45 0.00 0.00 32.46 30.95 3i8i n ARG 15 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3i8i h LYS 16 N 0.00 -0.13 -0.09 -0.14 1.63 -1.47 -3.06 116.57 113.30 3i8i h LYS 16 Ca 0.37 0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 60.00 3i8i h LYS 16 Cb 0.59 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.26 3i8i h LYS 16 CO -0.92 -0.09 -0.61 0.28 -3.45 0.00 0.00 179.45 174.66 3i8i h VAL 17 N -0.14 1.35 -0.98 2.00 2.07 0.06 -3.20 116.25 117.41 3i8i h VAL 17 Ca 0.11 -1.92 0.33 0.00 0.82 0.00 0.00 66.70 66.03 3i8i h VAL 17 Cb 0.30 2.21 -0.16 0.00 -1.52 0.00 0.00 31.29 32.13 3i8i h VAL 17 CO -0.26 0.58 0.48 0.03 0.02 0.00 0.00 177.57 178.42 3i8i h ARG 18 N 0.20 0.22 -0.91 1.57 3.08 -0.33 0.37 114.38 118.58 3i8i h ARG 18 Ca -0.05 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.18 3i8i h ARG 18 Cb 1.27 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 31.15 3i8i h ARG 18 CO 0.13 0.15 0.47 -0.07 -1.07 0.00 0.00 179.97 179.57 3i8i h LEU 19 N 0.23 0.51 -0.28 3.04 4.07 -1.52 0.21 115.31 121.56 3i8i h LEU 19 Ca 0.72 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.81 3i8i h LEU 19 Cb 1.68 0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.47 3i8i h LEU 19 CO -0.66 0.12 -0.34 1.33 -1.08 0.00 0.00 178.44 177.81 3i8i n VAL 20 N -4.93 0.00 0.11 1.22 0.24 0.12 -3.38 118.33 111.72 3i8i n VAL 20 Ca 0.21 -0.07 0.10 0.00 -2.04 0.00 0.00 64.34 62.54 3i8i n VAL 20 Cb 0.59 0.31 0.01 0.00 -1.47 0.00 0.00 33.84 33.28 3i8i n VAL 20 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i8i h VAL 21 N 0.69 0.08 0.00 3.34 2.07 0.09 -3.21 116.25 119.32 3i8i h VAL 21 Ca 0.00 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3i8i h VAL 21 Cb 0.50 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3i8i h VAL 21 CO 0.00 0.05 0.00 0.47 0.02 0.00 0.00 177.57 178.11 3i8i n ASP 22 N -2.78 0.57 -0.06 0.57 10.43 -0.26 -3.02 116.55 122.00 3i8i n ASP 22 Ca -0.01 0.57 0.14 0.00 2.57 0.00 0.00 54.79 58.06 3i8i n ASP 22 Cb 0.59 -0.71 0.53 0.00 1.84 0.00 0.00 41.12 43.36 3i8i n ASP 22 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3i8i n LEU 23 N -2.05 0.36 -0.27 0.64 7.94 -1.21 -4.18 117.00 118.23 3i8i n LEU 23 Ca 0.05 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 3i8i n LEU 23 Cb 0.37 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.04 3i8i n LEU 23 CO 0.27 0.07 0.26 2.30 -1.11 0.00 0.00 177.39 179.18 3i8i n ILE 24 N -1.22 0.03 -2.34 1.96 -6.64 -1.17 -4.97 119.36 105.02 3i8i n ILE 24 Ca 0.10 -0.04 -0.38 0.00 -1.77 0.00 0.00 62.75 60.67 3i8i n ILE 24 Cb 0.31 0.71 -0.02 0.00 -1.44 0.00 0.00 39.64 39.19 3i8i n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 3i8i s ARG 25 N -0.04 4.12 0.00 6.28 3.52 -1.22 -2.80 118.95 128.81 3i8i s ARG 25 Ca 0.00 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.40 3i8i s ARG 25 Cb 0.00 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 3i8i s ARG 25 CO 0.00 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 3i8i n GLY 26 N 0.63 1.10 3.87 8.12 0.00 0.02 -4.95 105.19 113.98 3i8i n GLY 26 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3i8i n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i s LYS 27 N 0.00 3.75 0.31 1.61 1.02 -1.12 -4.63 119.74 120.68 3i8i s LYS 27 Ca 0.00 0.72 -0.29 0.00 0.02 0.00 0.00 55.97 56.41 3i8i s LYS 27 Cb 0.00 -2.18 -0.11 0.00 -0.52 0.00 0.00 37.83 35.02 3i8i s LYS 27 CO 0.00 -0.34 1.50 0.45 -0.92 0.00 0.00 175.35 176.04 3i8i s SER 28 N -3.61 6.47 0.60 2.83 0.15 -1.26 -0.40 113.70 118.47 3i8i s SER 28 Ca 0.55 2.89 0.29 0.00 0.70 0.00 0.00 55.95 60.38 3i8i s SER 28 Cb -0.10 -2.64 1.48 0.00 -1.71 0.00 0.00 66.02 63.05 3i8i s SER 28 CO 0.41 -0.82 1.89 0.25 1.20 0.00 0.00 173.24 176.18 3i8i h LEU 29 N 4.19 0.00 0.19 3.45 6.46 -1.76 0.45 115.31 128.29 3i8i h LEU 29 Ca -0.48 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.00 3i8i h LEU 29 Cb 1.23 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.18 3i8i h LEU 29 CO 0.73 0.00 -1.29 -0.08 -0.62 0.00 0.00 178.44 177.18 3i8i h GLU 30 N 0.00 0.40 0.75 1.25 4.81 -1.90 -2.92 114.58 116.97 3i8i h GLU 30 Ca 0.18 -0.69 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 3i8i h GLU 30 Cb 1.11 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3i8i h GLU 30 CO -0.00 1.33 -0.42 1.49 -0.73 0.00 0.00 179.01 180.67 3i8i h GLU 31 N -0.10 -1.04 -0.98 1.92 4.81 -0.94 -2.52 114.58 115.73 3i8i h GLU 31 Ca -0.24 0.07 0.31 0.00 -0.13 0.00 0.00 59.36 59.37 3i8i h GLU 31 Cb 1.93 0.24 -0.15 0.00 0.63 0.00 0.00 28.75 31.40 3i8i h GLU 31 CO 0.19 -0.70 0.52 0.00 -0.73 0.00 0.00 179.01 178.29 3i8i h ALA 32 N -1.35 1.84 0.62 2.92 0.00 -0.42 -1.76 119.26 121.11 3i8i h ALA 32 Ca -0.10 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3i8i h ALA 32 Cb 0.85 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3i8i h ALA 32 CO 0.13 -0.55 -0.47 0.00 0.00 0.00 0.00 179.25 178.36 3i8i h ARG 33 N 0.31 -1.01 0.28 0.00 3.08 -1.25 -1.05 114.38 114.74 3i8i h ARG 33 Ca 0.70 0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.82 3i8i h ARG 33 Cb 1.57 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.84 3i8i h ARG 33 CO -0.61 -0.67 -0.21 -0.91 -1.07 0.00 0.00 179.97 176.50 3i8i h ASN 34 N -1.05 -0.53 -0.78 7.04 -0.26 -1.26 -1.35 115.58 117.39 3i8i h ASN 34 Ca -0.08 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 55.77 3i8i h ASN 34 Cb 0.87 0.17 -0.09 0.00 -1.06 0.00 0.00 38.32 38.20 3i8i h ASN 34 CO 0.03 -0.32 -0.46 -0.38 -1.06 0.00 0.00 177.43 175.24 3i8i n ILE 35 N -5.33 -0.53 0.03 2.81 5.41 -0.72 -0.14 119.36 120.90 3i8i n ILE 35 Ca -0.09 2.11 -0.10 0.00 1.00 0.00 0.00 62.75 65.67 3i8i n ILE 35 Cb 0.24 -2.63 -0.04 0.00 -0.71 0.00 0.00 39.64 36.50 3i8i n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3i8i h LEU 36 N 0.00 -0.52 -1.06 1.39 3.38 -0.96 -2.16 115.31 115.37 3i8i h LEU 36 Ca 0.12 0.08 0.40 0.00 0.09 0.00 0.00 57.88 58.57 3i8i h LEU 36 Cb 0.32 0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.13 3i8i h LEU 36 CO -0.73 -0.23 0.60 -0.09 0.09 0.00 0.00 178.44 178.07 3i8i h ARG 37 N -0.26 0.10 -0.37 1.13 9.65 0.63 0.18 114.38 125.44 3i8i h ARG 37 Ca 0.07 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.77 3i8i h ARG 37 Cb 0.36 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 28.81 3i8i h ARG 37 CO -0.20 0.07 -0.04 0.66 2.80 0.00 0.00 179.97 183.26 3i8i n TYR 38 N -5.12 1.16 -3.59 2.20 4.01 -0.45 -4.93 117.16 110.44 3i8i n TYR 38 Ca 0.36 -1.53 -0.38 0.00 -0.16 0.00 0.00 57.90 56.19 3i8i n TYR 38 Cb 1.23 -0.49 -0.11 0.00 -0.31 0.00 0.00 39.34 39.66 3i8i n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i8i s THR 39 N -3.20 5.30 -1.44 -0.72 2.01 0.62 -4.99 115.64 113.21 3i8i s THR 39 Ca 0.45 0.15 -0.14 0.00 0.31 0.00 0.00 61.69 62.45 3i8i s THR 39 Cb 0.40 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 69.42 3i8i s THR 39 CO 0.01 0.24 2.18 -3.20 -0.69 0.00 0.00 174.62 173.16 3i8i n ASN 40 N 5.06 3.97 -3.72 3.53 5.15 -1.26 -4.80 115.26 123.19 3i8i n ASN 40 Ca -0.14 -2.85 -0.14 0.00 -0.60 0.00 0.00 54.58 50.85 3i8i n ASN 40 Cb 0.52 -1.67 -0.09 0.00 -0.53 0.00 0.00 39.78 38.02 3i8i n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3i8i s LYS 41 N 3.31 0.66 0.26 1.20 -0.14 -1.26 -5.03 119.74 118.75 3i8i s LYS 41 Ca 0.48 0.07 -0.04 0.00 -1.36 0.00 0.00 55.97 55.11 3i8i s LYS 41 Cb 0.13 0.30 0.32 0.00 -1.68 0.00 0.00 37.83 36.90 3i8i s LYS 41 CO -0.07 -0.17 1.90 -0.09 -0.76 0.00 0.00 175.35 176.16 3i8i h ARG 42 N 4.20 1.16 -0.32 1.68 9.65 -1.98 -2.91 114.38 125.87 3i8i h ARG 42 Ca -0.29 -0.11 0.07 0.00 -1.10 0.00 0.00 59.98 58.55 3i8i h ARG 42 Cb 1.17 -0.24 -0.08 0.00 -1.39 0.00 0.00 29.97 29.44 3i8i h ARG 42 CO 0.36 0.83 -0.23 0.78 2.80 0.00 0.00 179.97 184.51 3i8i h GLY 43 N 1.19 -0.07 -0.60 2.80 0.00 -1.95 -2.87 103.07 101.57 3i8i h GLY 43 Ca 0.30 0.29 0.10 0.00 0.00 0.00 0.00 47.33 48.03 3i8i h GLY 43 CO -0.05 -0.20 -0.20 0.00 0.00 0.00 0.00 176.54 176.09 3i8i n ALA 44 N -2.85 0.03 -0.21 3.60 0.00 -1.10 0.95 120.51 120.93 3i8i n ALA 44 Ca 0.01 0.62 0.01 0.00 0.00 0.00 0.00 53.44 54.08 3i8i n ALA 44 Cb 0.29 -0.33 0.12 0.00 0.00 0.00 0.00 19.45 19.54 3i8i n ALA 44 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i8i h TYR 45 N 0.00 0.36 0.42 0.00 3.20 -1.68 0.37 116.97 119.64 3i8i h TYR 45 Ca 0.24 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3i8i h TYR 45 Cb 0.39 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3i8i h TYR 45 CO -0.50 0.06 -0.20 0.74 -1.64 0.00 0.00 178.16 176.63 3i8i h PHE 46 N 0.37 -0.52 -0.60 -3.82 0.04 0.45 -2.63 116.94 110.24 3i8i h PHE 46 Ca 0.32 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.19 3i8i h PHE 46 Cb 0.43 0.17 -0.08 0.00 2.20 0.00 0.00 35.95 38.67 3i8i h PHE 46 CO -0.19 -0.20 0.15 0.28 -0.60 0.00 0.00 178.31 177.75 3i8i h VAL 47 N -1.00 0.66 -0.02 -0.55 2.07 -1.19 -1.73 116.25 114.49 3i8i h VAL 47 Ca -0.06 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3i8i h VAL 47 Cb 0.55 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3i8i h VAL 47 CO 0.09 0.05 -0.17 0.00 0.02 0.00 0.00 177.57 177.57 3i8i h ALA 48 N 1.47 -0.61 -0.74 1.67 0.00 -0.30 0.76 119.26 121.52 3i8i h ALA 48 Ca 0.31 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3i8i h ALA 48 Cb 0.45 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3i8i h ALA 48 CO -0.38 -0.66 -0.43 1.63 0.00 0.00 0.00 179.25 179.40 3i8i n LYS 49 N -3.45 -0.32 -0.10 0.00 5.02 -0.76 0.12 118.16 118.67 3i8i n LYS 49 Ca -0.02 1.13 -0.06 0.00 -2.02 0.00 0.00 58.31 57.35 3i8i n LYS 49 Cb 0.12 -1.67 0.01 0.00 -0.02 0.00 0.00 35.03 33.47 3i8i n LYS 49 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i8i h VAL 50 N 0.00 0.74 -0.01 -0.18 2.07 -0.91 -0.30 116.25 117.66 3i8i h VAL 50 Ca 0.12 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3i8i h VAL 50 Cb 0.30 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3i8i h VAL 50 CO -0.69 0.02 -0.05 0.25 0.02 0.00 0.00 177.57 177.12 3i8i h LEU 51 N 0.08 -0.15 -0.97 2.57 7.12 0.34 0.29 115.31 124.60 3i8i h LEU 51 Ca 0.17 0.02 0.31 0.00 0.13 0.00 0.00 57.88 58.50 3i8i h LEU 51 Cb 0.23 0.06 -0.15 0.00 -0.53 0.00 0.00 40.66 40.26 3i8i h LEU 51 CO -0.29 -0.04 0.42 -0.08 -0.13 0.00 0.00 178.44 178.32 3i8i h GLU 52 N -0.05 0.21 0.48 1.25 4.57 -0.57 0.19 114.58 120.66 3i8i h GLU 52 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3i8i h GLU 52 Cb 0.06 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3i8i h GLU 52 CO -0.04 0.14 -0.23 1.03 -1.18 0.00 0.00 179.01 178.73 3i8i h SER 53 N 0.21 -0.55 -1.01 1.04 0.87 0.02 -0.51 113.55 113.62 3i8i h SER 53 Ca 0.69 -0.07 0.24 0.00 -1.23 0.00 0.00 61.79 61.42 3i8i h SER 53 Cb 1.56 0.14 -0.10 0.00 -0.44 0.00 0.00 62.40 63.57 3i8i h SER 53 CO -0.68 -0.23 0.64 0.00 -0.53 0.00 0.00 176.83 176.04 3i8i h ALA 54 N -0.49 2.09 -0.28 6.23 0.00 0.15 0.20 119.26 127.17 3i8i h ALA 54 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i8i h ALA 54 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i8i h ALA 54 CO 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.87 3i8i n ALA 55 N -2.44 -0.44 -0.38 0.00 0.00 0.46 -1.21 120.51 116.51 3i8i n ALA 55 Ca 0.24 0.00 0.33 0.00 0.00 0.00 0.00 53.44 54.01 3i8i n ALA 55 Cb 0.79 0.01 0.60 0.00 0.00 0.00 0.00 19.45 20.85 3i8i n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i h ALA 56 N -1.97 2.37 0.06 0.00 0.00 -0.12 0.69 119.26 120.29 3i8i h ALA 56 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i8i h ALA 56 Cb 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i8i h ALA 56 CO 0.00 -1.07 -0.04 -0.91 0.00 0.00 0.00 179.25 177.23 3i8i h ASN 57 N 0.09 -0.10 -0.34 0.00 -0.26 -0.57 0.33 115.58 114.72 3i8i h ASN 57 Ca 0.82 0.01 0.07 0.00 -0.56 0.00 0.00 56.30 56.64 3i8i h ASN 57 Cb 2.30 0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 39.53 3i8i h ASN 57 CO -0.60 -0.07 -0.09 0.00 -1.06 0.00 0.00 177.43 175.60 3i8i h ALA 58 N 0.83 0.21 0.49 -0.83 0.00 0.19 0.45 119.26 120.60 3i8i h ALA 58 Ca -0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3i8i h ALA 58 Cb 0.09 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i8i h ALA 58 CO 0.00 -0.47 -0.23 0.28 0.00 0.00 0.00 179.25 178.83 3i8i h VAL 59 N -0.01 0.38 0.00 0.00 2.07 -1.13 -1.72 116.25 115.83 3i8i h VAL 59 Ca 0.17 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3i8i h VAL 59 Cb 0.27 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3i8i h VAL 59 CO -0.36 0.06 -0.40 0.78 0.02 0.00 0.00 177.57 177.66 3i8i h ASN 60 N -0.97 0.00 0.00 0.57 -0.26 -0.26 -3.22 115.58 111.45 3i8i h ASN 60 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 3i8i h ASN 60 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 3i8i h ASN 60 CO 0.11 0.40 -0.67 0.59 -1.06 0.00 0.00 177.43 176.80 3i8i n ASN 61 N -3.39 1.53 -0.79 5.81 5.03 0.16 -4.76 115.26 118.84 3i8i n ASN 61 Ca 0.01 -0.40 0.02 0.00 0.87 0.00 0.00 54.58 55.08 3i8i n ASN 61 Cb 0.58 1.11 0.02 0.00 -1.02 0.00 0.00 39.78 40.47 3i8i n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3i8i n HIS 62 N -1.36 0.00 -3.63 3.10 8.25 -0.97 -5.02 115.22 115.59 3i8i n HIS 62 Ca 0.00 -0.27 -0.27 0.00 -0.26 0.00 0.00 57.72 56.92 3i8i n HIS 62 Cb 0.12 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.15 3i8i n HIS 62 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3i8i n ASP 63 N 0.03 -4.66 -0.05 0.41 8.00 -1.00 -4.92 116.55 114.36 3i8i n ASP 63 Ca 0.04 -0.72 -0.04 0.00 0.71 0.00 0.00 54.79 54.77 3i8i n ASP 63 Cb 0.84 -1.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.37 3i8i n ASP 63 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i8i n MET 64 N -1.87 2.22 -1.01 -1.24 2.81 -0.69 -4.99 117.12 112.35 3i8i n MET 64 Ca -0.25 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 3i8i n MET 64 Cb 0.65 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 3i8i n MET 64 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i8i n LEU 65 N -2.35 -1.35 0.00 4.03 4.77 -1.26 -4.73 117.00 116.11 3i8i n LEU 65 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3i8i n LEU 65 Cb 0.80 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3i8i n LEU 65 CO 0.22 0.00 0.13 1.21 -1.33 0.00 0.00 177.39 177.61 3i8i n GLU 66 N 0.17 0.00 0.00 3.23 2.13 -1.26 0.00 120.64 124.92 3i8i n GLU 66 Ca 0.00 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3i8i n GLU 66 Cb 0.00 -0.59 0.00 0.00 0.27 0.00 0.00 31.44 31.12 3i8i n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3i8i n ASP 67 N -0.62 0.00 -0.01 4.31 5.75 -1.26 -1.18 116.55 123.54 3i8i n ASP 67 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3i8i n ASP 67 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3i8i n ASP 67 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3i8i n ARG 68 N -0.48 4.02 -4.00 0.11 0.63 0.10 -5.03 116.66 112.00 3i8i n ARG 68 Ca 0.00 -0.20 -0.28 0.00 -0.92 0.00 0.00 57.85 56.46 3i8i n ARG 68 Cb 0.00 -0.70 -0.04 0.00 0.45 0.00 0.00 32.46 32.16 3i8i n ARG 68 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 3i8i s LEU 69 N -1.32 4.09 0.25 6.15 0.05 -0.33 0.61 118.68 128.19 3i8i s LEU 69 Ca 0.00 0.06 0.01 0.00 0.05 0.00 0.00 54.13 54.26 3i8i s LEU 69 Cb 0.01 -2.69 -0.05 0.00 -2.05 0.00 0.00 46.19 41.41 3i8i s LEU 69 CO 0.02 0.09 0.12 -0.72 -0.55 0.00 0.00 176.35 175.31 3i8i s TYR 70 N -1.65 1.45 -0.90 3.48 -0.00 -0.45 -2.24 117.35 117.04 3i8i s TYR 70 Ca 0.33 -1.27 -0.24 0.00 -0.00 0.00 0.00 57.07 55.88 3i8i s TYR 70 Cb -0.11 -0.80 -0.01 0.00 -0.00 0.00 0.00 41.96 41.04 3i8i s TYR 70 CO 0.26 -0.46 1.73 0.08 -0.00 0.00 0.00 175.55 177.17 3i8i s VAL 71 N -3.83 3.61 0.12 -3.49 1.01 0.46 -1.21 120.40 117.07 3i8i s VAL 71 Ca 0.38 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 3i8i s VAL 71 Cb 0.07 -4.40 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 3i8i s VAL 71 CO 0.14 -1.33 1.63 0.50 0.00 0.00 0.00 175.10 176.04 3i8i h LYS 72 N 11.06 -0.46 -2.88 2.72 3.64 -1.47 0.10 116.57 129.27 3i8i h LYS 72 Ca 0.08 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3i8i h LYS 72 Cb 1.02 0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 32.76 3i8i h LYS 72 CO 1.29 -0.30 -0.15 0.00 -2.27 0.00 0.00 179.45 178.02 3i8i s ALA 73 N -6.04 -1.00 -0.16 5.00 0.00 -0.27 -4.32 121.76 114.98 3i8i s ALA 73 Ca -0.16 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 3i8i s ALA 73 Cb 0.08 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.41 3i8i s ALA 73 CO 0.65 -0.35 0.47 0.00 0.00 0.00 0.00 175.76 176.53 3i8i s ALA 74 N -1.73 -1.16 -0.04 0.00 0.00 -1.26 0.65 121.76 118.22 3i8i s ALA 74 Ca -0.10 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 3i8i s ALA 74 Cb -0.03 -0.69 0.09 0.00 0.00 0.00 0.00 23.12 22.49 3i8i s ALA 74 CO 0.03 -0.23 0.79 1.52 0.00 0.00 0.00 175.76 177.87 3i8i s TYR 75 N 0.09 -0.50 -0.14 0.00 1.13 0.64 -4.98 117.35 113.59 3i8i s TYR 75 Ca -0.01 0.68 0.00 0.00 -1.41 0.00 0.00 57.07 56.33 3i8i s TYR 75 Cb -0.03 0.47 0.02 0.00 -1.10 0.00 0.00 41.96 41.32 3i8i s TYR 75 CO 0.01 -0.57 -0.14 0.54 -2.51 0.00 0.00 175.55 172.89 3i8i s VAL 76 N -1.98 1.54 0.50 -3.49 0.11 -1.26 -0.70 120.40 115.12 3i8i s VAL 76 Ca -0.03 -0.62 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 3i8i s VAL 76 Cb -0.00 -1.44 0.02 0.00 -1.53 0.00 0.00 36.38 33.42 3i8i s VAL 76 CO 0.00 0.45 0.71 -1.81 -3.33 0.00 0.00 175.10 171.13 3i8i s ASP 77 N 1.44 5.55 -0.24 3.54 1.01 -0.86 -4.89 116.67 122.22 3i8i s ASP 77 Ca 0.04 0.09 -0.08 0.00 0.71 0.00 0.00 52.55 53.31 3i8i s ASP 77 Cb -0.13 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 3i8i s ASP 77 CO -0.10 -0.92 0.10 -0.70 0.21 0.00 0.00 175.17 173.77 3i8i s GLU 78 N -4.64 3.81 0.00 8.23 2.12 -1.26 -0.30 118.70 126.66 3i8i s GLU 78 Ca 0.53 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.46 3i8i s GLU 78 Cb -0.10 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.89 3i8i s GLU 78 CO 0.38 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.42 3i8i n GLY 79 N 4.66 -0.94 0.00 -1.50 0.00 0.94 -4.88 105.19 103.47 3i8i n GLY 79 Ca -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3i8i n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i8i n PRO 80 N -0.29 0.61 -3.68 1.61 -0.04 -1.26 -4.62 135.00 127.33 3i8i n PRO 80 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 3i8i n PRO 80 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 3i8i n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8i s ALA 81 N -2.06 -1.28 -0.44 0.55 0.00 -1.26 -3.48 121.76 113.80 3i8i s ALA 81 Ca 0.00 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 3i8i s ALA 81 Cb 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.60 3i8i s ALA 81 CO 0.00 -0.27 0.57 -0.51 0.00 0.00 0.00 175.76 175.55 3i8i s LEU 82 N -0.25 4.68 -0.16 0.00 1.02 0.58 -4.89 118.68 119.67 3i8i s LEU 82 Ca -0.04 -0.52 -0.25 0.00 0.02 0.00 0.00 54.13 53.34 3i8i s LEU 82 Cb -0.03 -2.58 -0.02 0.00 0.02 0.00 0.00 46.19 43.58 3i8i s LEU 82 CO 0.03 -0.73 0.82 -0.54 0.02 0.00 0.00 176.35 175.95 3i8i s LYS 83 N 2.57 4.31 0.37 1.70 1.02 -1.26 0.19 119.74 128.64 3i8i s LYS 83 Ca 0.18 1.01 0.08 0.00 0.02 0.00 0.00 55.97 57.26 3i8i s LYS 83 Cb -0.16 -3.56 -0.07 0.00 -0.52 0.00 0.00 37.83 33.52 3i8i s LYS 83 CO 0.16 -0.29 -0.03 1.03 -0.92 0.00 0.00 175.35 175.30 3i8i s ARG 84 N 2.02 1.93 -0.03 1.68 3.00 0.62 -4.94 118.95 123.23 3i8i s ARG 84 Ca 0.38 -1.97 -0.02 0.00 0.00 0.00 0.00 55.73 54.12 3i8i s ARG 84 Cb -0.17 -1.72 -0.04 0.00 0.00 0.00 0.00 34.95 33.02 3i8i s ARG 84 CO 0.13 0.05 0.13 0.08 0.00 0.00 0.00 175.30 175.69 3i8i s VAL 85 N -2.64 5.10 -0.20 3.52 1.01 -1.26 -1.96 120.40 123.98 3i8i s VAL 85 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 3i8i s VAL 85 Cb 0.05 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 33.16 3i8i s VAL 85 CO 0.18 0.39 -0.02 -0.22 0.00 0.00 0.00 175.10 175.44 3i8i s LEU 86 N -1.67 1.82 0.02 3.92 2.96 0.13 -4.84 118.68 121.03 3i8i s LEU 86 Ca 0.23 -0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 3i8i s LEU 86 Cb -0.12 -0.89 -0.07 0.00 0.50 0.00 0.00 46.19 45.61 3i8i s LEU 86 CO 0.14 -0.25 1.57 -2.84 -1.32 0.00 0.00 176.35 173.64 3i8i s PRO 87 N 1.63 4.22 0.35 0.98 0.02 -1.26 0.57 135.00 141.50 3i8i s PRO 87 Ca -0.03 2.19 0.09 0.00 0.02 0.00 0.00 61.00 63.27 3i8i s PRO 87 Cb -0.17 -3.67 -0.05 0.00 0.02 0.00 0.00 34.50 30.62 3i8i s PRO 87 CO -0.07 -0.71 0.05 0.50 -0.33 0.00 0.00 177.00 176.44 3i8i s ARG 88 N 2.85 2.14 0.79 5.54 6.06 -1.26 -4.81 118.95 130.26 3i8i s ARG 88 Ca 0.71 -1.73 -0.15 0.00 -2.50 0.00 0.00 55.73 52.06 3i8i s ARG 88 Cb -0.36 -1.97 -0.01 0.00 0.06 0.00 0.00 34.95 32.67 3i8i s ARG 88 CO 0.30 0.11 0.54 0.00 -2.50 0.00 0.00 175.30 173.75 3i8i n ALA 89 N -1.01 -1.69 -3.98 6.12 0.00 -1.26 -2.24 120.51 116.46 3i8i n ALA 89 Ca -0.04 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.74 3i8i n ALA 89 Cb 0.62 -1.87 0.02 0.00 0.00 0.00 0.00 19.45 18.22 3i8i n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8i n ARG 90 N -1.16 -5.09 -3.74 0.00 1.74 -1.26 -2.35 116.66 104.80 3i8i n ARG 90 Ca 0.09 0.55 -0.25 0.00 -0.77 0.00 0.00 57.85 57.48 3i8i n ARG 90 Cb 0.51 -5.42 0.04 0.00 -1.02 0.00 0.00 32.46 26.57 3i8i n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8i n GLY 91 N -1.63 -0.40 0.05 -0.13 0.00 -1.16 -4.96 105.19 96.95 3i8i n GLY 91 Ca 0.05 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 3i8i n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i8i h ARG 92 N -2.06 0.00 -3.29 1.61 2.43 -1.05 -3.48 114.38 108.55 3i8i h ARG 92 Ca -0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3i8i h ARG 92 Cb 1.36 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3i8i h ARG 92 CO 0.60 0.20 -0.43 0.00 -1.51 0.00 0.00 179.97 178.83 3i8i n ALA 93 N -2.77 -2.98 -2.72 2.80 0.00 -1.25 -4.84 120.51 108.75 3i8i n ALA 93 Ca -0.02 0.51 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 3i8i n ALA 93 Cb 0.10 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 3i8i n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i8i s ASP 94 N -0.21 5.33 -0.63 0.00 -0.00 0.19 -4.90 116.67 116.46 3i8i s ASP 94 Ca -0.05 -0.37 -0.04 0.00 -0.00 0.00 0.00 52.55 52.09 3i8i s ASP 94 Cb 0.00 -1.22 0.16 0.00 -0.00 0.00 0.00 42.92 41.86 3i8i s ASP 94 CO 0.14 -0.11 0.45 0.27 -0.00 0.00 0.00 175.17 175.92 3i8i s ILE 95 N -2.20 3.86 -0.08 0.77 -5.25 -1.26 0.19 121.20 117.22 3i8i s ILE 95 Ca 0.35 -2.84 -0.30 0.00 -0.99 0.00 0.00 60.65 56.87 3i8i s ILE 95 Cb -0.07 -3.51 -0.02 0.00 2.95 0.00 0.00 42.46 41.82 3i8i s ILE 95 CO 0.25 -0.88 1.03 -0.51 -1.79 0.00 0.00 174.94 173.04 3i8i s ILE 96 N 0.05 4.72 -0.29 8.37 2.07 -0.83 -4.82 121.20 130.48 3i8i s ILE 96 Ca 0.16 1.98 -0.08 0.00 -1.41 0.00 0.00 60.65 61.31 3i8i s ILE 96 Cb -0.20 -4.28 -0.01 0.00 0.13 0.00 0.00 42.46 38.11 3i8i s ILE 96 CO -0.04 0.03 0.11 -1.59 -1.91 0.00 0.00 174.94 171.54 3i8i s LYS 97 N 1.89 3.31 -0.53 3.50 -2.85 -1.26 -0.28 119.74 123.52 3i8i s LYS 97 Ca 0.50 -0.72 -0.27 0.00 -1.00 0.00 0.00 55.97 54.47 3i8i s LYS 97 Cb -0.20 -3.44 -0.01 0.00 -2.06 0.00 0.00 37.83 32.12 3i8i s LYS 97 CO 0.20 -0.38 1.69 0.15 0.10 0.00 0.00 175.35 177.11 3i8i s LYS 98 N 1.57 3.04 0.43 1.78 -0.14 0.49 -4.83 119.74 122.08 3i8i s LYS 98 Ca 0.04 0.75 -0.22 0.00 -1.36 0.00 0.00 55.97 55.18 3i8i s LYS 98 Cb -0.17 -4.25 -0.09 0.00 -1.68 0.00 0.00 37.83 31.65 3i8i s LYS 98 CO 0.04 -2.24 1.04 1.03 -0.76 0.00 0.00 175.35 174.46 3i8i s ARG 99 N 6.16 4.04 0.00 1.68 0.52 -1.26 -0.31 118.95 129.79 3i8i s ARG 99 Ca 0.65 1.43 0.05 0.00 -0.52 0.00 0.00 55.73 57.33 3i8i s ARG 99 Cb -0.14 -2.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 3i8i s ARG 99 CO 0.25 -0.23 -0.15 -0.08 0.02 0.00 0.00 175.30 175.11 3i8i s THR 100 N -1.81 1.18 0.29 0.02 -1.32 -1.23 -2.69 115.64 110.09 3i8i s THR 100 Ca 0.61 -0.73 0.09 0.00 -1.21 0.00 0.00 61.69 60.46 3i8i s THR 100 Cb -0.19 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 3i8i s THR 100 CO 0.24 0.27 0.05 -0.44 -2.21 0.00 0.00 174.62 172.52 3i8i s SER 101 N -0.53 4.59 -0.44 8.08 0.01 -0.05 -0.04 113.70 125.32 3i8i s SER 101 Ca 0.05 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.65 3i8i s SER 101 Cb -0.06 -0.81 0.12 0.00 0.21 0.00 0.00 66.02 65.48 3i8i s SER 101 CO -0.00 -0.11 0.19 -1.00 0.41 0.00 0.00 173.24 172.73 3i8i s HIS 102 N -2.36 3.04 -0.33 2.43 3.76 0.59 -0.02 115.29 122.39 3i8i s HIS 102 Ca 0.34 -2.90 -0.27 0.00 -0.15 0.00 0.00 55.06 52.07 3i8i s HIS 102 Cb -0.05 -2.61 0.01 0.00 1.11 0.00 0.00 32.58 31.04 3i8i s HIS 102 CO 0.21 -0.82 0.99 0.42 -0.85 0.00 0.00 174.74 174.69 3i8i s ILE 103 N 0.29 4.57 -0.12 0.60 1.01 0.05 -2.02 121.20 125.58 3i8i s ILE 103 Ca 0.15 1.48 -0.01 0.00 0.00 0.00 0.00 60.65 62.28 3i8i s ILE 103 Cb -0.23 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 37.87 3i8i s ILE 103 CO -0.04 -0.47 -0.09 -0.89 0.00 0.00 0.00 174.94 173.45 3i8i s THR 104 N 3.50 3.41 -0.16 2.92 2.01 0.12 -0.67 115.64 126.77 3i8i s THR 104 Ca 0.41 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 3i8i s THR 104 Cb -0.12 -2.44 0.06 0.00 0.01 0.00 0.00 72.50 70.01 3i8i s THR 104 CO 0.16 0.54 0.07 -0.69 -0.69 0.00 0.00 174.62 174.00 3i8i s VAL 105 N 0.04 0.12 -0.20 3.82 1.01 -0.85 -0.26 120.40 124.08 3i8i s VAL 105 Ca -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3i8i s VAL 105 Cb -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3i8i s VAL 105 CO 0.04 -0.19 -0.02 0.27 0.00 0.00 0.00 175.10 175.20 3i8i s ILE 106 N 2.05 3.75 0.28 2.22 -4.36 0.21 -2.25 121.20 123.10 3i8i s ILE 106 Ca 0.02 -0.38 -0.06 0.00 -0.26 0.00 0.00 60.65 59.96 3i8i s ILE 106 Cb -0.16 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 40.80 3i8i s ILE 106 CO -0.08 0.43 0.56 -0.76 0.24 0.00 0.00 174.94 175.33 3i8i s LEU 107 N 1.09 4.07 0.29 0.37 1.02 0.28 -1.11 118.68 124.70 3i8i s LEU 107 Ca 0.02 0.77 0.03 0.00 0.02 0.00 0.00 54.13 54.97 3i8i s LEU 107 Cb -0.14 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 3i8i s LEU 107 CO 0.01 -0.18 0.17 -0.83 0.02 0.00 0.00 176.35 175.54 3i8i s GLY 108 N -3.01 1.99 -0.01 -3.19 0.00 -0.35 -1.83 107.32 100.93 3i8i s GLY 108 Ca 0.45 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.38 3i8i s GLY 108 CO 0.28 -1.55 0.08 -0.54 0.00 0.00 0.00 173.10 171.38 3i8i s GLU 109 N -3.83 3.07 0.77 2.90 2.02 -1.26 -1.34 118.70 121.03 3i8i s GLU 109 Ca 0.37 -0.48 -0.11 0.00 0.02 0.00 0.00 54.97 54.76 3i8i s GLU 109 Cb 0.05 -2.86 0.05 0.00 0.10 0.00 0.00 34.13 31.47 3i8i s GLU 109 CO 0.18 0.65 1.09 0.21 0.02 0.00 0.00 175.26 177.41 3i8i s LYS 110 N -1.72 2.29 0.15 1.61 2.47 0.20 -4.90 119.74 119.84 3i8i s LYS 110 Ca 0.23 0.64 -0.29 0.00 -1.56 0.00 0.00 55.97 54.99 3i8i s LYS 110 Cb -0.12 -1.94 -0.07 0.00 -1.46 0.00 0.00 37.83 34.24 3i8i s LYS 110 CO 0.14 -1.48 1.51 1.12 0.16 0.00 0.00 175.35 176.80 3i8i h HIS 111 N -0.98 -1.76 -0.19 4.03 2.07 -2.00 -3.46 115.15 112.87 3i8i h HIS 111 Ca -0.46 0.12 -0.08 0.00 -2.85 0.00 0.00 60.37 57.09 3i8i h HIS 111 Cb 1.26 0.88 -0.03 0.00 2.57 0.00 0.00 27.41 32.09 3i8i h HIS 111 CO 0.49 -0.36 -0.07 0.41 -3.07 0.00 0.00 177.93 175.32 3i8i n GLY 112 N -1.25 0.62 0.00 6.13 0.00 -1.26 -5.26 105.19 104.17 3i8i n GLY 112 Ca 0.01 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.84 3i8i n GLY 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49