#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e s GLU 2 N 0.00 1.16 -0.10 2.12 -1.05 -1.26 -4.17 118.70 115.40 3i9e s GLU 2 Ca 0.00 -0.69 -0.04 0.00 -0.15 0.00 0.00 54.97 54.10 3i9e s GLU 2 Cb 0.00 0.50 0.05 0.00 -0.44 0.00 0.00 34.13 34.24 3i9e s GLU 2 CO 0.00 -0.47 0.20 0.00 0.95 0.00 0.00 175.26 175.94 3i9e s ALA 3 N -3.80 -0.35 0.41 -0.84 0.00 -0.73 -4.93 121.76 111.52 3i9e s ALA 3 Ca 0.04 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.81 3i9e s ALA 3 Cb 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3i9e s ALA 3 CO -0.11 -0.46 0.57 -1.59 0.00 0.00 0.00 175.76 174.18 3i9e s LYS 4 N 1.97 2.89 -0.44 0.00 -2.85 -1.26 -0.55 119.74 119.49 3i9e s LYS 4 Ca -0.02 -1.10 0.07 0.00 -1.00 0.00 0.00 55.97 53.93 3i9e s LYS 4 Cb -0.12 -2.74 0.18 0.00 -2.06 0.00 0.00 37.83 33.10 3i9e s LYS 4 CO -0.07 -0.23 0.64 0.00 0.10 0.00 0.00 175.35 175.79 3i9e s ALA 5 N -2.36 -2.18 -0.22 0.59 0.00 -0.99 -4.74 121.76 111.86 3i9e s ALA 5 Ca 0.52 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.23 3i9e s ALA 5 Cb -0.10 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 3i9e s ALA 5 CO 0.33 -2.22 0.68 0.42 0.00 0.00 0.00 175.76 174.97 3i9e s ILE 6 N 1.55 4.96 -0.57 0.00 1.01 -1.26 -3.79 121.20 123.11 3i9e s ILE 6 Ca 0.20 1.27 -0.19 0.00 0.00 0.00 0.00 60.65 61.93 3i9e s ILE 6 Cb -0.03 -3.98 0.10 0.00 0.01 0.00 0.00 42.46 38.55 3i9e s ILE 6 CO -0.06 0.04 0.66 0.00 0.00 0.00 0.00 174.94 175.58 3i9e s ALA 7 N 2.31 3.44 0.59 9.38 0.00 0.39 -4.95 121.76 132.92 3i9e s ALA 7 Ca 0.30 -2.17 -0.14 0.00 0.00 0.00 0.00 51.96 49.94 3i9e s ALA 7 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3i9e s ALA 7 CO 0.09 -2.24 1.02 1.03 0.00 0.00 0.00 175.76 175.67 3i9e s ARG 8 N 2.54 3.56 -0.86 0.00 1.81 -1.26 -1.20 118.95 123.54 3i9e s ARG 8 Ca 0.11 0.96 0.00 0.00 -1.72 0.00 0.00 55.73 55.08 3i9e s ARG 8 Cb -0.24 -2.07 0.00 0.00 -0.45 0.00 0.00 34.95 32.19 3i9e s ARG 8 CO 0.07 -0.60 0.00 0.66 -0.68 0.00 0.00 175.30 174.75 3i9e n TYR 9 N -2.22 -0.60 -1.60 -0.53 0.53 -1.01 -4.88 117.16 106.84 3i9e n TYR 9 Ca 0.07 0.00 -0.44 0.00 -1.02 0.00 0.00 57.90 56.51 3i9e n TYR 9 Cb 0.54 -1.96 -0.03 0.00 -1.03 0.00 0.00 39.34 36.85 3i9e n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3i9e n VAL 10 N -1.53 0.43 -1.68 -0.72 0.31 -0.11 -4.71 118.33 110.32 3i9e n VAL 10 Ca -0.08 -0.36 -0.22 0.00 -0.01 0.00 0.00 64.34 63.66 3i9e n VAL 10 Cb 0.27 -2.42 -0.06 0.00 -0.91 0.00 0.00 33.84 30.73 3i9e n VAL 10 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i9e s ARG 11 N 5.85 1.93 -0.30 5.55 3.00 -1.26 -0.69 118.95 133.04 3i9e s ARG 11 Ca 0.99 0.56 -0.26 0.00 -1.00 0.00 0.00 55.73 56.02 3i9e s ARG 11 Cb -0.41 -4.76 0.19 0.00 0.00 0.00 0.00 34.95 29.97 3i9e s ARG 11 CO 0.38 -3.91 1.43 -1.50 0.00 0.00 0.00 175.30 171.71 3i9e s ILE 12 N 13.08 0.00 -0.22 4.11 2.07 -1.17 -4.95 121.20 134.12 3i9e s ILE 12 Ca 0.88 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.83 3i9e s ILE 12 Cb -0.13 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 3i9e s ILE 12 CO 0.11 0.00 1.45 -0.55 -1.91 0.00 0.00 174.94 174.04 3i9e s SER 13 N -0.10 6.62 0.00 4.50 0.15 -1.26 -2.59 113.70 121.02 3i9e s SER 13 Ca 0.08 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.28 3i9e s SER 13 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3i9e s SER 13 CO -0.15 -1.07 0.39 -2.65 1.20 0.00 0.00 173.24 170.97 3i9e n PRO 14 N 7.28 0.00 -0.44 5.44 -0.02 -1.26 0.56 135.00 146.56 3i9e n PRO 14 Ca 0.16 0.39 0.40 0.00 -2.02 0.00 0.00 63.50 62.44 3i9e n PRO 14 Cb 0.45 -0.66 0.65 0.00 -0.02 0.00 0.00 33.50 33.93 3i9e n PRO 14 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3i9e h ARG 15 N 0.00 0.00 -0.11 -0.52 2.43 -1.97 2.26 114.38 116.46 3i9e h ARG 15 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3i9e h ARG 15 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3i9e h ARG 15 CO 0.00 0.00 -0.65 -0.22 -1.51 0.00 0.00 179.97 177.59 3i9e h LYS 16 N 0.00 0.64 0.04 0.20 1.63 -0.28 -3.31 116.57 115.49 3i9e h LYS 16 Ca 0.70 -0.54 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 3i9e h LYS 16 Cb 3.22 0.12 0.01 0.00 -0.60 0.00 0.00 32.23 34.97 3i9e h LYS 16 CO -0.01 1.16 -0.33 0.28 -3.45 0.00 0.00 179.45 177.10 3i9e h VAL 17 N 0.30 1.61 -1.59 2.00 2.07 0.39 -3.27 116.25 117.75 3i9e h VAL 17 Ca -0.05 -2.23 0.48 0.00 0.82 0.00 0.00 66.70 65.72 3i9e h VAL 17 Cb 1.29 3.07 -0.09 0.00 -1.52 0.00 0.00 31.29 34.04 3i9e h VAL 17 CO 0.13 0.61 1.11 0.03 0.02 0.00 0.00 177.57 179.47 3i9e h ARG 18 N -0.61 0.04 -0.31 1.57 -0.00 -0.99 0.22 114.38 114.30 3i9e h ARG 18 Ca -0.05 -0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.46 3i9e h ARG 18 Cb 1.18 -0.01 -0.07 0.00 0.00 0.00 0.00 29.97 31.07 3i9e h ARG 18 CO 0.06 0.02 -0.46 -0.07 0.00 0.00 0.00 179.97 179.52 3i9e h LEU 19 N 0.04 -1.54 -0.14 3.04 4.07 -1.65 -2.18 115.31 116.95 3i9e h LEU 19 Ca 0.82 0.20 -0.23 0.00 0.08 0.00 0.00 57.88 58.75 3i9e h LEU 19 Cb 3.04 0.63 -0.00 0.00 1.08 0.00 0.00 40.66 45.40 3i9e h LEU 19 CO -0.16 -0.35 -0.99 -0.37 -1.08 0.00 0.00 178.44 175.50 3i9e h VAL 20 N -0.36 1.45 0.00 1.22 -1.51 -0.80 -2.81 116.25 113.43 3i9e h VAL 20 Ca 0.05 -2.62 0.00 0.00 -1.23 0.00 0.00 66.70 62.91 3i9e h VAL 20 Cb 0.51 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.20 3i9e h VAL 20 CO -0.48 0.77 0.03 0.52 -1.23 0.00 0.00 177.57 177.18 3i9e n VAL 21 N -3.68 1.15 0.18 7.19 0.31 -0.82 0.10 118.33 122.76 3i9e n VAL 21 Ca -0.06 0.32 0.11 0.00 -0.01 0.00 0.00 64.34 64.69 3i9e n VAL 21 Cb 0.87 -1.32 -0.13 0.00 -0.91 0.00 0.00 33.84 32.35 3i9e n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3i9e n ASP 22 N -1.27 0.27 0.13 4.52 10.43 -0.84 -3.88 116.55 125.90 3i9e n ASP 22 Ca 0.00 -0.11 0.13 0.00 2.57 0.00 0.00 54.79 57.38 3i9e n ASP 22 Cb 0.03 1.61 0.40 0.00 1.84 0.00 0.00 41.12 44.99 3i9e n ASP 22 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3i9e h LEU 23 N 0.00 0.00 -2.69 0.64 5.85 0.65 -3.30 115.31 116.47 3i9e h LEU 23 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i9e h LEU 23 Cb 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3i9e h LEU 23 CO 0.00 0.00 -0.04 2.30 -0.34 0.00 0.00 178.44 180.36 3i9e n ILE 24 N -2.37 1.09 -2.38 4.05 -5.35 -1.18 -4.98 119.36 108.24 3i9e n ILE 24 Ca 0.05 -1.21 -0.42 0.00 -0.27 0.00 0.00 62.75 60.90 3i9e n ILE 24 Cb 0.41 0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 3i9e n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3i9e s ARG 25 N -1.40 4.42 -0.92 6.28 3.52 -1.24 -3.74 118.95 125.87 3i9e s ARG 25 Ca 0.10 1.83 -0.05 0.00 -0.13 0.00 0.00 55.73 57.48 3i9e s ARG 25 Cb 0.09 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 30.10 3i9e s ARG 25 CO 0.01 -0.26 0.81 0.41 -0.81 0.00 0.00 175.30 175.46 3i9e n GLY 26 N 3.11 -0.95 3.22 8.12 0.00 0.02 -4.99 105.19 113.71 3i9e n GLY 26 Ca 0.09 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 3i9e n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9e s LYS 27 N -4.18 1.04 -0.01 1.61 1.02 -1.25 -4.83 119.74 113.13 3i9e s LYS 27 Ca 0.39 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.69 3i9e s LYS 27 Cb -0.05 0.29 -0.07 0.00 -0.52 0.00 0.00 37.83 37.47 3i9e s LYS 27 CO 0.66 -0.33 1.84 0.45 -0.92 0.00 0.00 175.35 177.05 3i9e s SER 28 N -3.04 6.51 0.57 2.83 0.15 -1.26 -2.16 113.70 117.29 3i9e s SER 28 Ca 0.24 2.45 0.14 0.00 0.70 0.00 0.00 55.95 59.48 3i9e s SER 28 Cb 0.06 -2.53 0.75 0.00 -1.71 0.00 0.00 66.02 62.59 3i9e s SER 28 CO 0.03 -1.04 1.38 0.25 1.20 0.00 0.00 173.24 175.06 3i9e h LEU 29 N 10.63 0.00 0.19 3.45 6.46 -1.88 3.38 115.31 137.54 3i9e h LEU 29 Ca -0.45 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.05 3i9e h LEU 29 Cb 1.21 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 41.17 3i9e h LEU 29 CO 0.95 0.00 -1.15 -0.08 -0.62 0.00 0.00 178.44 177.54 3i9e h GLU 30 N 0.00 0.40 0.65 1.25 4.81 -1.86 -2.26 114.58 117.56 3i9e h GLU 30 Ca 0.00 -0.68 -0.03 0.00 -0.13 0.00 0.00 59.36 58.52 3i9e h GLU 30 Cb 1.21 0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.85 3i9e h GLU 30 CO 0.00 1.33 -0.31 1.49 -0.73 0.00 0.00 179.01 180.78 3i9e h GLU 31 N -0.14 -0.84 0.00 1.92 4.81 0.58 -2.30 114.58 118.59 3i9e h GLU 31 Ca -0.21 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3i9e h GLU 31 Cb 1.88 0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.45 3i9e h GLU 31 CO 0.20 -0.56 0.00 0.00 -0.73 0.00 0.00 179.01 177.92 3i9e n ALA 32 N -2.45 -0.04 -0.12 2.92 0.00 0.58 -1.06 120.51 120.35 3i9e n ALA 32 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.34 3i9e n ALA 32 Cb 0.34 0.35 0.03 0.00 0.00 0.00 0.00 19.45 20.18 3i9e n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9e n ARG 33 N -2.12 -0.05 0.00 0.00 1.74 -0.85 0.46 116.66 115.85 3i9e n ARG 33 Ca 0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3i9e n ARG 33 Cb 0.00 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3i9e n ARG 33 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i9e n ASN 34 N -4.50 0.00 -0.25 0.55 4.13 -0.22 -2.47 115.26 112.49 3i9e n ASN 34 Ca 0.04 0.96 -0.07 0.00 1.68 0.00 0.00 54.58 57.19 3i9e n ASN 34 Cb 0.15 -0.46 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 3i9e n ASN 34 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3i9e n ILE 35 N -1.87 -0.41 -0.06 2.41 5.41 0.17 -0.35 119.36 124.66 3i9e n ILE 35 Ca 0.00 1.55 -0.09 0.00 1.00 0.00 0.00 62.75 65.21 3i9e n ILE 35 Cb 0.00 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 36.97 3i9e n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3i9e h LEU 36 N 0.00 -1.06 -1.64 1.39 3.38 -1.43 -0.22 115.31 115.73 3i9e h LEU 36 Ca 0.10 0.17 0.38 0.00 0.09 0.00 0.00 57.88 58.62 3i9e h LEU 36 Cb 0.25 0.47 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 3i9e h LEU 36 CO -0.57 -0.34 0.88 -0.09 0.09 0.00 0.00 178.44 178.41 3i9e h ARG 37 N -0.33 0.13 -2.27 1.13 9.65 -0.37 -2.09 114.38 120.24 3i9e h ARG 37 Ca 0.13 -0.01 -0.60 0.00 -1.10 0.00 0.00 59.98 58.40 3i9e h ARG 37 Cb 0.54 -0.03 -0.41 0.00 -1.39 0.00 0.00 29.97 28.68 3i9e h ARG 37 CO -0.45 0.09 -0.54 0.66 2.80 0.00 0.00 179.97 182.53 3i9e n TYR 38 N -4.43 3.86 -3.65 2.20 4.01 -0.10 -4.98 117.16 114.07 3i9e n TYR 38 Ca 0.31 -3.98 -0.18 0.00 -0.16 0.00 0.00 57.90 53.90 3i9e n TYR 38 Cb 1.30 -0.55 -0.16 0.00 -0.31 0.00 0.00 39.34 39.62 3i9e n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i9e s THR 39 N -3.79 -0.23 -1.24 -0.72 2.01 -0.79 -4.89 115.64 105.99 3i9e s THR 39 Ca 0.45 0.31 -0.20 0.00 0.31 0.00 0.00 61.69 62.56 3i9e s THR 39 Cb 0.23 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.42 3i9e s THR 39 CO -0.09 0.11 1.84 -3.20 -0.69 0.00 0.00 174.62 172.59 3i9e n ASN 40 N 5.32 4.01 -3.64 3.53 5.15 -1.26 -4.77 115.26 123.60 3i9e n ASN 40 Ca -0.04 -2.81 -0.05 0.00 -0.60 0.00 0.00 54.58 51.08 3i9e n ASN 40 Cb 0.50 -1.73 -0.07 0.00 -0.53 0.00 0.00 39.78 37.95 3i9e n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3i9e s LYS 41 N 5.27 0.58 0.32 1.20 -0.14 -1.26 -5.02 119.74 120.68 3i9e s LYS 41 Ca 0.61 1.03 0.09 0.00 -1.36 0.00 0.00 55.97 56.34 3i9e s LYS 41 Cb 0.02 0.16 0.87 0.00 -1.68 0.00 0.00 37.83 37.21 3i9e s LYS 41 CO 0.10 -0.13 1.74 -0.09 -0.76 0.00 0.00 175.35 176.22 3i9e h ARG 42 N 6.75 0.59 -0.50 1.68 2.43 -1.97 -0.58 114.38 122.78 3i9e h ARG 42 Ca -0.28 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.94 3i9e h ARG 42 Cb 1.21 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 3i9e h ARG 42 CO 0.17 0.39 0.10 0.78 -1.51 0.00 0.00 179.97 179.89 3i9e h GLY 43 N 0.61 0.61 -0.10 2.80 0.00 -1.95 -2.84 103.07 102.20 3i9e h GLY 43 Ca 0.63 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.95 3i9e h GLY 43 CO -0.44 -0.08 -0.06 0.00 0.00 0.00 0.00 176.54 175.96 3i9e n ALA 44 N -2.54 -0.07 -0.15 3.60 0.00 -0.22 -0.90 120.51 120.23 3i9e n ALA 44 Ca 0.06 0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 3i9e n ALA 44 Cb 0.25 0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 3i9e n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3i9e n TYR 45 N -2.96 -0.16 -0.21 0.00 9.36 -1.07 -0.79 117.16 121.33 3i9e n TYR 45 Ca 0.00 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.67 3i9e n TYR 45 Cb 0.03 -0.47 0.11 0.00 -0.63 0.00 0.00 39.34 38.38 3i9e n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3i9e h PHE 46 N 0.00 0.43 -0.17 2.98 0.04 -1.12 -1.44 116.94 117.67 3i9e h PHE 46 Ca 0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3i9e h PHE 46 Cb 0.15 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3i9e h PHE 46 CO -0.77 0.12 0.10 0.28 -0.60 0.00 0.00 178.31 177.45 3i9e h VAL 47 N 0.44 1.03 0.00 -0.55 2.07 -0.33 -2.44 116.25 116.47 3i9e h VAL 47 Ca 0.31 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.76 3i9e h VAL 47 Cb 0.37 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3i9e h VAL 47 CO -0.30 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.33 3i9e n ALA 48 N -2.15 -0.09 -0.16 1.67 0.00 0.03 0.05 120.51 119.86 3i9e n ALA 48 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.43 3i9e n ALA 48 Cb 0.04 0.25 0.06 0.00 0.00 0.00 0.00 19.45 19.79 3i9e n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i9e n LYS 49 N -1.75 -0.05 0.31 0.00 5.02 -0.59 0.79 118.16 121.88 3i9e n LYS 49 Ca 0.00 0.69 -0.15 0.00 -2.02 0.00 0.00 58.31 56.83 3i9e n LYS 49 Cb 0.00 -1.04 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 3i9e n LYS 49 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i9e h VAL 50 N 0.00 0.27 -0.49 -0.18 2.07 -0.81 -2.38 116.25 114.73 3i9e h VAL 50 Ca 0.21 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3i9e h VAL 50 Cb 0.32 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 3i9e h VAL 50 CO -0.46 0.03 -0.38 0.25 0.02 0.00 0.00 177.57 177.04 3i9e h LEU 51 N -1.05 -1.34 -1.99 2.57 7.12 0.43 1.48 115.31 122.53 3i9e h LEU 51 Ca -0.08 0.19 0.03 0.00 0.13 0.00 0.00 57.88 58.15 3i9e h LEU 51 Cb 0.66 0.58 -0.00 0.00 -0.53 0.00 0.00 40.66 41.37 3i9e h LEU 51 CO 0.13 -0.20 0.36 -0.08 -0.13 0.00 0.00 178.44 178.52 3i9e h GLU 52 N -0.11 0.00 0.23 1.25 4.57 -0.78 -0.14 114.58 119.59 3i9e h GLU 52 Ca 0.08 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.94 3i9e h GLU 52 Cb 0.32 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.94 3i9e h GLU 52 CO -0.52 0.00 -1.45 1.03 -1.18 0.00 0.00 179.01 176.89 3i9e h SER 53 N 0.00 0.77 0.11 1.04 0.87 0.25 -2.80 113.55 113.79 3i9e h SER 53 Ca 0.05 -0.93 -0.10 0.00 -1.23 0.00 0.00 61.79 59.59 3i9e h SER 53 Cb 0.78 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3i9e h SER 53 CO -0.00 1.69 -0.33 0.00 -0.53 0.00 0.00 176.83 177.66 3i9e h ALA 54 N 0.13 1.14 -0.27 6.23 0.00 0.67 -1.03 119.26 126.14 3i9e h ALA 54 Ca -0.26 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.34 3i9e h ALA 54 Cb 2.10 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 3i9e h ALA 54 CO 0.24 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 179.88 3i9e h ALA 55 N 1.37 0.03 -0.21 0.00 0.00 -1.18 0.62 119.26 119.89 3i9e h ALA 55 Ca 0.03 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i9e h ALA 55 Cb 0.73 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3i9e h ALA 55 CO 0.06 -0.57 0.07 0.00 0.00 0.00 0.00 179.25 178.80 3i9e h ALA 56 N 1.03 0.23 -0.89 0.00 0.00 -1.14 -1.86 119.26 116.63 3i9e h ALA 56 Ca 0.15 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3i9e h ALA 56 Cb 0.36 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3i9e h ALA 56 CO -0.36 -0.35 0.56 -0.91 0.00 0.00 0.00 179.25 178.19 3i9e h ASN 57 N 0.17 0.89 0.15 0.00 -0.26 -0.01 -0.40 115.58 116.12 3i9e h ASN 57 Ca 0.09 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.85 3i9e h ASN 57 Cb 0.06 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 3i9e h ASN 57 CO -0.09 0.58 -0.39 0.00 -1.06 0.00 0.00 177.43 176.46 3i9e h ALA 58 N 1.41 -0.92 -3.00 -0.83 0.00 0.97 -0.40 119.26 116.49 3i9e h ALA 58 Ca 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i9e h ALA 58 Cb 0.15 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i9e h ALA 58 CO -0.17 -1.00 0.00 0.28 0.00 0.00 0.00 179.25 178.36 3i9e n VAL 59 N -4.68 0.00 -0.52 0.00 0.31 -0.83 -2.31 118.33 110.29 3i9e n VAL 59 Ca -0.07 0.71 0.43 0.00 -0.01 0.00 0.00 64.34 65.40 3i9e n VAL 59 Cb 0.31 -1.55 0.70 0.00 -0.91 0.00 0.00 33.84 32.39 3i9e n VAL 59 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i9e n ASN 60 N -0.28 0.15 -0.03 4.52 5.03 -0.20 -2.17 115.26 122.28 3i9e n ASN 60 Ca 0.00 1.26 -0.03 0.00 0.87 0.00 0.00 54.58 56.68 3i9e n ASN 60 Cb 0.00 -0.62 -0.04 0.00 -1.02 0.00 0.00 39.78 38.10 3i9e n ASN 60 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3i9e n ASN 61 N -4.46 3.66 -0.48 6.41 5.03 -0.17 -4.78 115.26 120.47 3i9e n ASN 61 Ca 0.40 -0.01 0.06 0.00 0.87 0.00 0.00 54.58 55.90 3i9e n ASN 61 Cb 1.64 0.42 0.15 0.00 -1.02 0.00 0.00 39.78 40.97 3i9e n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3i9e n HIS 62 N -2.33 0.42 -2.97 3.10 8.25 -1.01 -5.05 115.22 115.62 3i9e n HIS 62 Ca -0.09 -0.69 -0.01 0.00 -0.26 0.00 0.00 57.72 56.67 3i9e n HIS 62 Cb 0.66 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 3i9e n HIS 62 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3i9e n ASP 63 N -0.32 -6.20 0.00 0.41 8.00 -0.92 -4.98 116.55 112.55 3i9e n ASP 63 Ca 0.12 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.54 3i9e n ASP 63 Cb 0.55 -2.91 0.00 0.00 -0.02 0.00 0.00 41.12 38.74 3i9e n ASP 63 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i9e n MET 64 N 1.58 0.72 -3.13 -1.24 2.81 -1.20 -4.98 117.12 111.68 3i9e n MET 64 Ca -0.07 -0.72 -0.08 0.00 -1.81 0.00 0.00 57.70 55.02 3i9e n MET 64 Cb 0.29 -0.63 0.01 0.00 -0.71 0.00 0.00 33.22 32.17 3i9e n MET 64 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i9e n LEU 65 N -0.12 -6.17 0.00 4.03 4.77 -1.26 -4.63 117.00 113.62 3i9e n LEU 65 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3i9e n LEU 65 Cb 0.42 -3.00 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 3i9e n LEU 65 CO 0.00 -1.17 0.00 1.21 -1.33 0.00 0.00 177.39 176.10 3i9e n GLU 66 N -1.40 0.00 -0.06 3.23 2.13 -1.26 -1.22 120.64 122.05 3i9e n GLU 66 Ca -0.02 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3i9e n GLU 66 Cb 0.53 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.22 3i9e n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3i9e n ASP 67 N -0.46 0.00 0.00 4.31 3.85 -1.26 -1.59 116.55 121.41 3i9e n ASP 67 Ca 0.00 -1.38 0.00 0.00 -0.71 0.00 0.00 54.79 52.70 3i9e n ASP 67 Cb 0.00 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.58 3i9e n ASP 67 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 3i9e n ARG 68 N 3.52 0.00 -4.45 0.11 0.63 -0.36 -5.09 116.66 111.03 3i9e n ARG 68 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 3i9e n ARG 68 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 3i9e n ARG 68 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 3i9e s LEU 69 N 0.00 2.32 0.00 6.15 0.05 -0.62 0.22 118.68 126.81 3i9e s LEU 69 Ca 0.00 -0.72 0.03 0.00 0.05 0.00 0.00 54.13 53.49 3i9e s LEU 69 Cb 0.00 -1.25 -0.01 0.00 -2.05 0.00 0.00 46.19 42.88 3i9e s LEU 69 CO 0.00 0.19 0.09 0.00 -0.55 0.00 0.00 176.35 176.08 3i9e n TYR 70 N 1.02 0.43 -2.79 3.48 -0.00 0.59 -2.86 117.16 117.03 3i9e n TYR 70 Ca -0.18 -2.39 -0.44 0.00 -0.00 0.00 0.00 57.90 54.90 3i9e n TYR 70 Cb 0.53 -0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.77 3i9e n TYR 70 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 3i9e n VAL 71 N -0.95 4.27 -0.29 -3.48 0.31 -0.92 -1.30 118.33 115.97 3i9e n VAL 71 Ca -0.10 -4.63 0.08 0.00 -0.01 0.00 0.00 64.34 59.68 3i9e n VAL 71 Cb 0.57 -2.44 0.23 0.00 -0.91 0.00 0.00 33.84 31.30 3i9e n VAL 71 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i9e h LYS 72 N 6.79 0.51 -2.92 5.55 3.64 -1.84 0.09 116.57 128.38 3i9e h LYS 72 Ca 0.34 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 3i9e h LYS 72 Cb 0.81 -0.11 -0.21 0.00 -0.41 0.00 0.00 32.23 32.30 3i9e h LYS 72 CO 1.35 0.34 -0.25 0.00 -2.27 0.00 0.00 179.45 178.61 3i9e s ALA 73 N -5.96 -0.88 0.17 5.00 0.00 -1.06 -4.71 121.76 114.32 3i9e s ALA 73 Ca -0.12 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.29 3i9e s ALA 73 Cb 0.22 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3i9e s ALA 73 CO 0.78 -0.24 0.43 0.00 0.00 0.00 0.00 175.76 176.72 3i9e s ALA 74 N -0.86 -0.63 0.00 0.00 0.00 -1.26 -0.06 121.76 118.94 3i9e s ALA 74 Ca -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3i9e s ALA 74 Cb -0.04 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.90 3i9e s ALA 74 CO 0.03 -0.73 0.00 2.48 0.00 0.00 0.00 175.76 177.55 3i9e n TYR 75 N -0.28 0.00 -3.87 0.00 4.11 -0.85 -4.99 117.16 111.28 3i9e n TYR 75 Ca -0.10 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.44 3i9e n TYR 75 Cb 0.63 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.91 3i9e n TYR 75 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3i9e s VAL 76 N -0.10 5.47 0.08 -3.48 0.11 -1.26 -2.01 120.40 119.21 3i9e s VAL 76 Ca 0.00 0.15 0.07 0.00 -2.93 0.00 0.00 61.98 59.27 3i9e s VAL 76 Cb 0.00 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.37 3i9e s VAL 76 CO 0.00 0.55 -0.13 -1.81 -3.33 0.00 0.00 175.10 170.38 3i9e s ASP 77 N -1.24 4.21 0.04 3.54 1.11 0.59 -4.93 116.67 119.98 3i9e s ASP 77 Ca 0.18 -0.40 -0.30 0.00 0.18 0.00 0.00 52.55 52.21 3i9e s ASP 77 Cb -0.12 -0.76 -0.07 0.00 1.07 0.00 0.00 42.92 43.04 3i9e s ASP 77 CO 0.08 0.20 1.49 -0.70 1.18 0.00 0.00 175.17 177.43 3i9e s GLU 78 N -1.96 4.25 0.31 8.23 2.56 -1.26 0.09 118.70 130.92 3i9e s GLU 78 Ca 0.19 2.11 0.09 0.00 0.00 0.00 0.00 54.97 57.36 3i9e s GLU 78 Cb -0.11 -3.55 -0.04 0.00 2.00 0.00 0.00 34.13 32.42 3i9e s GLU 78 CO 0.11 -0.63 0.08 0.20 -0.56 0.00 0.00 175.26 174.46 3i9e s GLY 79 N 2.01 1.81 0.03 -1.50 0.00 0.24 -4.84 107.32 105.07 3i9e s GLY 79 Ca 0.68 -1.74 -0.39 0.00 0.00 0.00 0.00 44.72 43.27 3i9e s GLY 79 CO 0.29 -1.73 1.20 -1.55 0.00 0.00 0.00 173.10 171.30 3i9e n PRO 80 N -1.04 0.51 -2.19 2.90 -0.04 -1.26 -3.81 135.00 130.06 3i9e n PRO 80 Ca -0.05 0.18 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 3i9e n PRO 80 Cb 0.60 -1.75 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 3i9e n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9e s ALA 81 N 0.26 3.12 -0.41 0.55 0.00 -1.26 -4.15 121.76 119.86 3i9e s ALA 81 Ca 0.88 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 3i9e s ALA 81 Cb -1.13 -2.73 0.11 0.00 0.00 0.00 0.00 23.12 19.37 3i9e s ALA 81 CO 0.53 -1.07 0.22 -0.51 0.00 0.00 0.00 175.76 174.93 3i9e s LEU 82 N -5.18 5.24 -0.51 0.00 1.02 0.74 -4.92 118.68 115.07 3i9e s LEU 82 Ca 0.57 -1.93 -0.28 0.00 0.02 0.00 0.00 54.13 52.51 3i9e s LEU 82 Cb -0.11 -1.87 0.01 0.00 0.02 0.00 0.00 46.19 44.25 3i9e s LEU 82 CO 0.47 -0.55 1.43 -0.54 0.02 0.00 0.00 176.35 177.17 3i9e s LYS 83 N 1.21 3.38 0.36 1.70 1.02 -1.26 -0.27 119.74 125.87 3i9e s LYS 83 Ca 0.07 0.64 0.08 0.00 0.02 0.00 0.00 55.97 56.77 3i9e s LYS 83 Cb -0.23 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 32.94 3i9e s LYS 83 CO -0.03 -1.83 0.15 1.03 -0.92 0.00 0.00 175.35 173.76 3i9e s ARG 84 N 5.34 2.34 -0.15 1.68 3.00 -0.02 -4.99 118.95 126.15 3i9e s ARG 84 Ca 0.56 -1.61 -0.05 0.00 0.00 0.00 0.00 55.73 54.63 3i9e s ARG 84 Cb -0.12 -2.14 -0.03 0.00 0.00 0.00 0.00 34.95 32.66 3i9e s ARG 84 CO 0.28 0.06 0.01 0.08 0.00 0.00 0.00 175.30 175.73 3i9e s VAL 85 N -2.46 4.34 -0.35 3.52 1.01 -1.26 -1.88 120.40 123.32 3i9e s VAL 85 Ca 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3i9e s VAL 85 Cb -0.01 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.53 3i9e s VAL 85 CO 0.23 0.50 0.09 -0.22 0.00 0.00 0.00 175.10 175.70 3i9e s LEU 86 N 0.15 4.54 0.30 3.92 2.96 0.38 -4.89 118.68 126.03 3i9e s LEU 86 Ca 0.02 -1.63 -0.29 0.00 -0.22 0.00 0.00 54.13 52.00 3i9e s LEU 86 Cb -0.13 -1.77 -0.10 0.00 0.50 0.00 0.00 46.19 44.69 3i9e s LEU 86 CO 0.02 -0.39 1.43 -2.16 -1.32 0.00 0.00 176.35 173.92 3i9e s PRO 87 N 1.19 4.25 0.52 0.98 0.04 -1.26 0.57 135.00 141.30 3i9e s PRO 87 Ca 0.02 2.36 0.03 0.00 0.04 0.00 0.00 61.00 63.44 3i9e s PRO 87 Cb -0.21 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3i9e s PRO 87 CO -0.03 -0.39 0.15 0.50 0.04 0.00 0.00 177.00 177.27 3i9e s ARG 88 N -1.13 2.22 0.39 4.56 6.06 -1.26 -4.77 118.95 125.03 3i9e s ARG 88 Ca 0.55 -2.26 -0.25 0.00 -2.50 0.00 0.00 55.73 51.28 3i9e s ARG 88 Cb -0.43 -1.74 -0.09 0.00 0.06 0.00 0.00 34.95 32.75 3i9e s ARG 88 CO 0.50 -0.46 1.10 0.00 -2.50 0.00 0.00 175.30 173.94 3i9e s ALA 89 N -2.84 3.13 -0.92 6.12 0.00 -1.26 -3.61 121.76 122.38 3i9e s ALA 89 Ca 0.16 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3i9e s ALA 89 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3i9e s ALA 89 CO 0.10 -0.34 0.78 0.54 0.00 0.00 0.00 175.76 176.83 3i9e n ARG 90 N 0.06 -5.22 -2.51 0.00 1.74 -1.26 -3.29 116.66 106.19 3i9e n ARG 90 Ca 0.04 0.61 -0.17 0.00 -0.77 0.00 0.00 57.85 57.57 3i9e n ARG 90 Cb 0.48 -4.96 -0.00 0.00 -1.02 0.00 0.00 32.46 26.96 3i9e n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9e n GLY 91 N -1.30 -0.50 0.22 -0.13 0.00 -1.25 -4.94 105.19 97.30 3i9e n GLY 91 Ca -0.13 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3i9e n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i9e h ARG 92 N -0.14 -0.50 -3.59 1.61 2.43 -1.61 -3.48 114.38 109.10 3i9e h ARG 92 Ca -0.40 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3i9e h ARG 92 Cb 1.29 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3i9e h ARG 92 CO 0.47 -0.33 -0.76 0.00 -1.51 0.00 0.00 179.97 177.84 3i9e n ALA 93 N -2.55 -2.24 -2.35 2.80 0.00 -1.26 -4.81 120.51 110.10 3i9e n ALA 93 Ca -0.06 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.57 3i9e n ALA 93 Cb 0.20 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 3i9e n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i9e s ASP 94 N -0.63 2.39 -0.52 0.00 -0.00 0.19 -4.85 116.67 113.26 3i9e s ASP 94 Ca 0.00 -1.09 -0.13 0.00 -0.00 0.00 0.00 52.55 51.34 3i9e s ASP 94 Cb 0.00 -0.10 0.13 0.00 -0.00 0.00 0.00 42.92 42.95 3i9e s ASP 94 CO 0.00 -0.29 0.43 0.27 -0.00 0.00 0.00 175.17 175.59 3i9e s ILE 95 N -3.10 4.73 -0.03 0.77 -5.25 -1.26 0.14 121.20 117.19 3i9e s ILE 95 Ca 0.24 -1.68 -0.28 0.00 -0.99 0.00 0.00 60.65 57.94 3i9e s ILE 95 Cb 0.02 -4.07 -0.03 0.00 2.95 0.00 0.00 42.46 41.33 3i9e s ILE 95 CO 0.07 -0.83 0.91 -0.51 -1.79 0.00 0.00 174.94 172.79 3i9e s ILE 96 N 1.43 4.90 -0.31 8.37 2.07 -0.79 -4.89 121.20 131.99 3i9e s ILE 96 Ca 0.05 1.90 -0.03 0.00 -1.41 0.00 0.00 60.65 61.15 3i9e s ILE 96 Cb -0.28 -4.25 0.05 0.00 0.13 0.00 0.00 42.46 38.11 3i9e s ILE 96 CO 0.01 0.16 0.02 -1.59 -1.91 0.00 0.00 174.94 171.63 3i9e s LYS 97 N 1.10 2.48 -0.43 3.50 -2.85 -1.26 -0.84 119.74 121.45 3i9e s LYS 97 Ca 0.48 -1.24 -0.29 0.00 -1.00 0.00 0.00 55.97 53.92 3i9e s LYS 97 Cb -0.20 -3.25 0.01 0.00 -2.06 0.00 0.00 37.83 32.34 3i9e s LYS 97 CO 0.24 -0.63 1.41 0.15 0.10 0.00 0.00 175.35 176.62 3i9e s LYS 98 N 1.29 3.54 0.84 1.78 -0.14 0.63 -4.76 119.74 122.92 3i9e s LYS 98 Ca -0.04 0.87 -0.12 0.00 -1.36 0.00 0.00 55.97 55.32 3i9e s LYS 98 Cb -0.20 -4.04 0.11 0.00 -1.68 0.00 0.00 37.83 32.03 3i9e s LYS 98 CO -0.00 -1.61 1.20 1.03 -0.76 0.00 0.00 175.35 175.21 3i9e s ARG 99 N 5.00 1.60 -0.05 1.68 0.52 -1.26 0.26 118.95 126.71 3i9e s ARG 99 Ca 0.60 -0.11 -0.05 0.00 -0.52 0.00 0.00 55.73 55.65 3i9e s ARG 99 Cb -0.13 -1.96 0.01 0.00 0.52 0.00 0.00 34.95 33.40 3i9e s ARG 99 CO 0.32 -1.79 0.14 -0.08 0.02 0.00 0.00 175.30 173.91 3i9e s THR 100 N -3.62 0.01 0.24 0.02 -1.32 -1.25 -3.07 115.64 106.65 3i9e s THR 100 Ca 0.65 -0.07 0.07 0.00 -1.21 0.00 0.00 61.69 61.13 3i9e s THR 100 Cb -0.09 -0.23 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 3i9e s THR 100 CO 0.50 -0.04 0.16 -0.44 -2.21 0.00 0.00 174.62 172.59 3i9e s SER 101 N -0.06 5.40 -0.50 8.08 0.01 0.14 0.81 113.70 127.58 3i9e s SER 101 Ca -0.01 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.01 3i9e s SER 101 Cb -0.02 -1.34 0.13 0.00 0.21 0.00 0.00 66.02 65.00 3i9e s SER 101 CO 0.00 -0.01 0.26 -1.00 0.41 0.00 0.00 173.24 172.91 3i9e s HIS 102 N -2.07 2.72 -0.37 2.43 3.76 0.11 -0.93 115.29 120.93 3i9e s HIS 102 Ca 0.32 -2.89 -0.24 0.00 -0.15 0.00 0.00 55.06 52.10 3i9e s HIS 102 Cb -0.08 -2.44 0.01 0.00 1.11 0.00 0.00 32.58 31.19 3i9e s HIS 102 CO 0.24 -0.75 0.85 0.42 -0.85 0.00 0.00 174.74 174.66 3i9e s ILE 103 N -0.11 4.65 -0.10 0.60 1.01 -0.34 -0.30 121.20 126.62 3i9e s ILE 103 Ca 0.18 1.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.77 3i9e s ILE 103 Cb -0.24 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 3i9e s ILE 103 CO -0.01 -0.51 0.12 -0.89 0.00 0.00 0.00 174.94 173.65 3i9e s THR 104 N 3.30 5.27 -0.26 2.92 2.01 -0.85 -0.46 115.64 127.57 3i9e s THR 104 Ca 0.35 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 3i9e s THR 104 Cb -0.12 -3.30 0.11 0.00 0.01 0.00 0.00 72.50 69.19 3i9e s THR 104 CO 0.18 0.58 0.23 -0.69 -0.69 0.00 0.00 174.62 174.23 3i9e s VAL 105 N -1.04 -0.30 -0.00 3.82 1.01 -1.25 -2.01 120.40 120.63 3i9e s VAL 105 Ca 0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 3i9e s VAL 105 Cb -0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3i9e s VAL 105 CO 0.05 -0.43 0.08 0.27 0.00 0.00 0.00 175.10 175.07 3i9e s ILE 106 N 2.29 4.70 0.18 2.22 -4.36 0.91 -2.34 121.20 124.80 3i9e s ILE 106 Ca 0.08 -0.42 0.07 0.00 -0.26 0.00 0.00 60.65 60.12 3i9e s ILE 106 Cb -0.15 -3.15 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 3i9e s ILE 106 CO -0.26 0.35 0.05 -0.76 0.24 0.00 0.00 174.94 174.56 3i9e s LEU 107 N -1.72 3.48 0.14 0.37 1.02 0.29 -2.58 118.68 119.68 3i9e s LEU 107 Ca 0.23 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 54.05 3i9e s LEU 107 Cb -0.12 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 3i9e s LEU 107 CO 0.14 0.07 0.03 -0.83 0.02 0.00 0.00 176.35 175.78 3i9e s GLY 108 N -3.10 1.05 -0.23 -3.19 0.00 -0.42 -1.77 107.32 99.65 3i9e s GLY 108 Ca 0.29 -1.50 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 3i9e s GLY 108 CO 0.20 -1.42 0.25 1.85 0.00 0.00 0.00 173.10 173.98 3i9e s GLU 109 N -3.99 4.10 0.50 2.90 2.12 -1.26 -0.30 118.70 122.78 3i9e s GLU 109 Ca 0.23 -0.10 -0.21 0.00 0.36 0.00 0.00 54.97 55.25 3i9e s GLU 109 Cb 0.07 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.85 3i9e s GLU 109 CO 0.02 0.02 1.14 0.21 -0.54 0.00 0.00 175.26 176.11 3i9e s LYS 110 N 1.17 3.56 0.00 4.30 2.47 0.60 -4.90 119.74 126.94 3i9e s LYS 110 Ca 0.12 1.68 0.00 0.00 -1.56 0.00 0.00 55.97 56.20 3i9e s LYS 110 Cb -0.14 -2.19 0.00 0.00 -1.46 0.00 0.00 37.83 34.04 3i9e s LYS 110 CO 0.06 -0.70 0.00 -2.39 0.16 0.00 0.00 175.35 172.48 3i9e n HIS 111 N -0.91 0.00 -0.98 4.03 1.44 -1.26 -4.77 115.22 112.76 3i9e n HIS 111 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 3i9e n HIS 111 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 3i9e n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i9e n GLY 112 N -0.19 0.84 0.95 -1.39 0.00 -1.26 -5.22 105.19 98.92 3i9e n GLY 112 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3i9e n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60