#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8g n THR 6 N 0.00 0.83 -0.01 0.52 -2.24 -1.26 -4.65 114.28 107.46 3i8g n THR 6 Ca 0.00 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3i8g n THR 6 Cb 0.00 -0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 3i8g n THR 6 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3i8g h ILE 7 N -1.09 0.00 -0.82 2.28 1.08 -2.05 -0.78 117.51 116.13 3i8g h ILE 7 Ca -0.44 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 64.35 3i8g h ILE 7 Cb 1.31 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.91 3i8g h ILE 7 CO 0.38 0.00 0.37 -3.20 -0.69 0.00 0.00 178.15 175.01 3i8g n ASN 8 N -4.28 0.22 0.01 1.72 2.85 -1.26 0.37 115.26 114.88 3i8g n ASN 8 Ca -0.04 1.36 -0.09 0.00 -0.11 0.00 0.00 54.58 55.71 3i8g n ASN 8 Cb 0.22 -0.64 0.06 0.00 1.24 0.00 0.00 39.78 40.67 3i8g n ASN 8 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 3i8g h GLN 9 N 0.00 0.55 0.00 1.20 4.20 -1.49 -1.41 115.11 118.16 3i8g h GLN 9 Ca 0.66 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.93 3i8g h GLN 9 Cb 1.70 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 3i8g h GLN 9 CO -0.65 0.94 -0.49 -0.07 -0.67 0.00 0.00 178.83 177.89 3i8g h LEU 10 N 0.42 0.00 -0.35 1.46 3.38 0.72 0.11 115.31 121.06 3i8g h LEU 10 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3i8g h LEU 10 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3i8g h LEU 10 CO 0.10 0.49 -0.18 0.58 0.09 0.00 0.00 178.44 179.51 3i8g h VAL 11 N 0.00 1.29 0.00 1.22 2.07 0.12 -2.03 116.25 118.92 3i8g h VAL 11 Ca -0.00 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3i8g h VAL 11 Cb 0.88 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3i8g h VAL 11 CO 0.06 0.43 0.00 0.54 0.02 0.00 0.00 177.57 178.62 3i8g n ARG 12 N -4.30 0.00 -0.17 1.57 1.74 -0.56 -4.55 116.66 110.39 3i8g n ARG 12 Ca -0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.00 3i8g n ARG 12 Cb 0.41 -0.17 0.01 0.00 -1.02 0.00 0.00 32.46 31.69 3i8g n ARG 12 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i8g h LYS 13 N 0.00 -0.16 -1.10 5.56 6.56 -0.98 -3.48 116.57 122.96 3i8g h LYS 13 Ca 0.00 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.61 3i8g h LYS 13 Cb 0.00 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 3i8g h LYS 13 CO 0.00 -0.11 -0.29 0.41 -2.06 0.00 0.00 179.45 177.40 3i8g n GLY 14 N -1.43 -3.15 3.69 3.86 0.00 -0.76 -4.96 105.19 102.44 3i8g n GLY 14 Ca 0.04 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 3i8g n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8g s ARG 15 N -4.35 1.21 -0.13 1.61 1.81 -1.26 -5.00 118.95 112.83 3i8g s ARG 15 Ca 0.00 1.19 0.01 0.00 -1.72 0.00 0.00 55.73 55.21 3i8g s ARG 15 Cb 0.00 -1.78 -0.01 0.00 -0.45 0.00 0.00 34.95 32.72 3i8g s ARG 15 CO 0.00 -2.38 -0.16 -2.00 -0.68 0.00 0.00 175.30 170.08 3i8g s GLU 16 N -4.77 3.25 -0.71 3.54 2.12 -1.26 -5.07 118.70 115.80 3i8g s GLU 16 Ca 0.64 -0.75 -0.20 0.00 0.36 0.00 0.00 54.97 55.03 3i8g s GLU 16 Cb -0.20 -2.57 0.10 0.00 0.26 0.00 0.00 34.13 31.72 3i8g s GLU 16 CO 0.58 0.12 0.91 0.21 -0.54 0.00 0.00 175.26 176.54 3i8g s LYS 17 N 0.54 3.23 0.00 4.30 2.36 -1.26 -4.99 119.74 123.92 3i8g s LYS 17 Ca -0.10 -1.30 0.00 0.00 -2.55 0.00 0.00 55.97 52.02 3i8g s LYS 17 Cb -0.16 -4.42 0.00 0.00 -1.05 0.00 0.00 37.83 32.20 3i8g s LYS 17 CO 0.04 -1.69 0.00 1.33 1.55 0.00 0.00 175.35 176.58 3i8g n VAL 18 N 5.60 0.00 0.00 4.02 0.24 -1.26 -5.04 118.33 121.89 3i8g n VAL 18 Ca 0.02 0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 3i8g n VAL 18 Cb 0.45 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3i8g n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i8g n ARG 19 N 0.00 0.00 -4.23 7.34 0.63 -1.26 -5.11 116.66 114.03 3i8g n ARG 19 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 3i8g n ARG 19 Cb 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.79 3i8g n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3i8g s LYS 20 N -2.60 0.99 0.24 -0.14 0.00 -1.26 -5.13 119.74 111.84 3i8g s LYS 20 Ca 0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 55.97 54.54 3i8g s LYS 20 Cb 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 37.83 36.75 3i8g s LYS 20 CO 0.00 0.21 1.16 0.15 0.00 0.00 0.00 175.35 176.87 3i8g s LYS 21 N -2.22 4.55 -0.86 1.78 3.01 -1.26 -4.97 119.74 119.77 3i8g s LYS 21 Ca 0.05 1.87 -0.20 0.00 -1.01 0.00 0.00 55.97 56.68 3i8g s LYS 21 Cb -0.08 -3.20 0.11 0.00 -1.01 0.00 0.00 37.83 33.65 3i8g s LYS 21 CO 0.03 0.05 1.11 0.45 0.51 0.00 0.00 175.35 177.50 3i8g s SER 22 N -0.41 6.48 0.00 2.83 0.15 -1.26 -4.85 113.70 116.64 3i8g s SER 22 Ca 0.48 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 55.45 3i8g s SER 22 Cb -0.33 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 3i8g s SER 22 CO 0.40 -1.21 0.24 2.29 1.20 0.00 0.00 173.24 176.16 3i8g n LYS 23 N 7.09 0.00 -3.47 5.44 0.00 -1.26 -3.77 118.16 122.19 3i8g n LYS 23 Ca 0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.19 3i8g n LYS 23 Cb 0.48 -1.39 -0.11 0.00 -0.00 0.00 0.00 35.03 34.01 3i8g n LYS 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i8g s VAL 24 N -1.53 0.40 -1.20 0.58 1.01 -1.26 -5.00 120.40 113.41 3i8g s VAL 24 Ca 0.00 -2.23 -0.08 0.00 0.00 0.00 0.00 61.98 59.67 3i8g s VAL 24 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 36.38 34.99 3i8g s VAL 24 CO 0.00 -1.08 2.73 -2.65 0.00 0.00 0.00 175.10 174.09 3i8g n PRO 25 N 3.46 2.95 0.00 2.72 -0.02 -1.25 -4.58 135.00 138.28 3i8g n PRO 25 Ca 0.19 -1.79 0.00 0.00 -2.02 0.00 0.00 63.50 59.88 3i8g n PRO 25 Cb 0.41 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3i8g n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8g n ALA 26 N 3.64 1.98 -2.24 3.55 0.00 -1.26 -4.81 120.51 121.37 3i8g n ALA 26 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3i8g n ALA 26 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3i8g n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8g n LEU 27 N 0.61 -5.72 -2.73 0.00 4.77 -1.26 -3.89 117.00 108.78 3i8g n LEU 27 Ca 0.00 2.80 -0.21 0.00 -0.03 0.00 0.00 56.01 58.57 3i8g n LEU 27 Cb 0.24 -3.05 0.01 0.00 -2.33 0.00 0.00 43.42 38.29 3i8g n LEU 27 CO 0.00 -2.43 -0.13 1.17 -1.33 0.00 0.00 177.39 174.67 3i8g n LYS 28 N 1.90 -3.32 -1.92 3.23 4.81 -1.26 -2.02 118.16 119.57 3i8g n LYS 28 Ca 0.00 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 3i8g n LYS 28 Cb 0.00 -5.70 0.00 0.00 0.02 0.00 0.00 35.03 29.35 3i8g n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8g n GLY 29 N -1.26 -0.34 3.77 3.14 0.00 -1.26 -4.80 105.19 104.43 3i8g n GLY 29 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3i8g n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8g s ALA 30 N -1.50 2.93 0.37 4.61 0.00 -0.86 -4.90 121.76 122.41 3i8g s ALA 30 Ca 0.00 0.95 0.18 0.00 0.00 0.00 0.00 51.96 53.09 3i8g s ALA 30 Cb 0.00 -3.39 1.13 0.00 0.00 0.00 0.00 23.12 20.86 3i8g s ALA 30 CO 0.00 -0.73 1.69 -1.35 0.00 0.00 0.00 175.76 175.37 3i8g h PRO 31 N 1.90 0.32 0.00 0.00 0.11 -1.90 -3.43 132.00 129.00 3i8g h PRO 31 Ca -0.50 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.29 3i8g h PRO 31 Cb 1.25 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 3i8g h PRO 31 CO 0.60 0.21 -0.21 1.19 -0.21 0.00 0.00 178.00 179.57 3i8g n PHE 32 N -4.87 -1.23 -3.57 0.65 3.72 -1.26 -4.76 117.46 106.14 3i8g n PHE 32 Ca 0.31 -2.31 -0.01 0.00 -0.05 0.00 0.00 57.45 55.39 3i8g n PHE 32 Cb 1.01 0.46 -0.05 0.00 -0.94 0.00 0.00 39.48 39.97 3i8g n PHE 32 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i8g s ARG 33 N -2.88 0.48 0.64 -1.08 6.06 -1.24 -4.95 118.95 115.98 3i8g s ARG 33 Ca 0.30 1.12 -0.13 0.00 -2.50 0.00 0.00 55.73 54.52 3i8g s ARG 33 Cb -0.00 0.57 -0.02 0.00 0.06 0.00 0.00 34.95 35.56 3i8g s ARG 33 CO 0.21 -0.15 1.05 0.50 -2.50 0.00 0.00 175.30 174.41 3i8g s ARG 34 N 2.46 3.23 0.10 5.12 3.52 -1.26 -1.74 118.95 130.38 3i8g s ARG 34 Ca -0.06 1.00 -0.26 0.00 -0.13 0.00 0.00 55.73 56.28 3i8g s ARG 34 Cb -0.08 -2.03 0.08 0.00 -1.56 0.00 0.00 34.95 31.36 3i8g s ARG 34 CO -0.18 -0.87 1.09 0.20 -0.81 0.00 0.00 175.30 174.73 3i8g s GLY 35 N -3.49 -0.24 0.13 8.12 0.00 -0.52 -3.51 107.32 107.81 3i8g s GLY 35 Ca 0.59 0.24 0.08 0.00 0.00 0.00 0.00 44.72 45.63 3i8g s GLY 35 CO 0.47 0.53 -0.09 0.14 0.00 0.00 0.00 173.10 174.15 3i8g s VAL 36 N -2.83 3.36 0.17 1.40 1.01 -1.21 -0.88 120.40 121.42 3i8g s VAL 36 Ca 0.15 -1.38 -0.22 0.00 0.00 0.00 0.00 61.98 60.53 3i8g s VAL 36 Cb 0.00 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 3i8g s VAL 36 CO 0.01 0.04 0.72 0.00 0.00 0.00 0.00 175.10 175.87 3i8g n THR 38 N 1.28 0.77 -3.76 0.00 -2.24 0.14 -4.25 114.28 106.22 3i8g n THR 38 Ca -0.05 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.22 3i8g n THR 38 Cb 0.50 -1.25 -0.17 0.00 -2.10 0.00 0.00 70.33 67.31 3i8g n THR 38 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i8g s VAL 39 N -2.26 0.43 -1.18 2.28 1.01 -1.25 -4.91 120.40 114.52 3i8g s VAL 39 Ca -0.19 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 3i8g s VAL 39 Cb 0.06 -0.73 0.22 0.00 0.00 0.00 0.00 36.38 35.93 3i8g s VAL 39 CO 0.29 0.08 1.42 0.52 0.00 0.00 0.00 175.10 177.41 3i8g n VAL 40 N 5.11 4.53 -0.18 2.92 0.31 -1.26 -1.45 118.33 128.30 3i8g n VAL 40 Ca -0.08 -5.05 0.00 0.00 -0.01 0.00 0.00 64.34 59.20 3i8g n VAL 40 Cb 0.49 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 3i8g n VAL 40 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i8g n ARG 41 N 3.81 1.76 -2.67 5.55 5.12 -0.66 -4.98 116.66 124.60 3i8g n ARG 41 Ca 0.32 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.20 3i8g n ARG 41 Cb 0.39 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.74 3i8g n ARG 41 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3i8g n THR 42 N 0.00 0.00 0.00 0.55 5.66 -1.26 -3.62 114.28 115.61 3i8g n THR 42 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 3i8g n THR 42 Cb 0.00 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 3i8g n THR 42 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3i8g n VAL 43 N 2.12 0.00 -3.74 1.08 0.24 -0.80 -4.77 118.33 112.46 3i8g n VAL 43 Ca 0.07 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.22 3i8g n VAL 43 Cb 0.67 -0.57 -0.16 0.00 -1.47 0.00 0.00 33.84 32.32 3i8g n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i8g s THR 44 N 0.00 -0.09 0.00 3.34 -4.23 -1.26 -3.23 115.64 110.17 3i8g s THR 44 Ca 0.00 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3i8g s THR 44 Cb 0.00 -0.18 0.00 0.00 1.34 0.00 0.00 72.50 73.66 3i8g s THR 44 CO 0.00 0.10 0.00 -0.81 -0.54 0.00 0.00 174.62 173.37 3i8g n PRO 45 N 4.46 0.59 0.00 3.99 -0.04 -1.26 -4.97 135.00 137.77 3i8g n PRO 45 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 3i8g n PRO 45 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 3i8g n PRO 45 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3i8g n LYS 46 N -0.28 0.00 0.00 0.54 0.00 -1.13 -4.91 118.16 112.39 3i8g n LYS 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i8g n LYS 46 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3i8g n LYS 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3i8g n LYS 47 N 0.00 0.00 0.15 -1.58 3.00 -1.26 -1.39 118.16 117.08 3i8g n LYS 47 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 3i8g n LYS 47 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.10 3i8g n LYS 47 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3i8g h PRO 48 N 0.00 0.00 -7.13 1.64 0.13 -2.00 -3.47 132.00 121.17 3i8g h PRO 48 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 3i8g h PRO 48 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 3i8g h PRO 48 CO 0.00 0.13 0.27 -0.80 -0.23 0.00 0.00 178.00 177.37 3i8g s ASN 49 N -5.99 6.33 -0.12 1.44 0.02 -0.48 -5.10 114.94 111.05 3i8g s ASN 49 Ca 0.03 1.24 -0.08 0.00 -1.02 0.00 0.00 52.86 53.03 3i8g s ASN 49 Cb 0.07 -2.38 0.04 0.00 0.02 0.00 0.00 41.25 38.99 3i8g s ASN 49 CO 0.73 -0.67 0.29 -0.55 0.02 0.00 0.00 177.10 176.92 3i8g s SER 50 N -3.87 -0.32 0.00 -1.22 0.15 -1.26 -3.86 113.70 103.32 3i8g s SER 50 Ca 0.53 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.78 3i8g s SER 50 Cb -0.11 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3i8g s SER 50 CO 0.45 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.76 3i8g n ALA 51 N 3.50 0.00 -2.71 5.45 0.00 -1.26 -4.99 120.51 120.50 3i8g n ALA 51 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 3i8g n ALA 51 Cb 0.56 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.12 3i8g n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8g n LEU 52 N 0.00 -2.10 -4.65 0.00 4.77 -1.26 -4.72 117.00 109.04 3i8g n LEU 52 Ca 0.00 -3.55 -0.54 0.00 -0.03 0.00 0.00 56.01 51.88 3i8g n LEU 52 Cb 0.00 0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3i8g n LEU 52 CO 0.00 1.98 1.11 0.54 -1.33 0.00 0.00 177.39 179.69 3i8g n ARG 53 N -0.15 1.18 -3.05 3.23 5.12 -1.20 -4.71 116.66 117.08 3i8g n ARG 53 Ca 0.01 0.43 -0.43 0.00 -1.93 0.00 0.00 57.85 55.93 3i8g n ARG 53 Cb 0.78 -2.10 -0.06 0.00 -1.16 0.00 0.00 32.46 29.92 3i8g n ARG 53 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i8g s LYS 54 N 1.97 3.31 0.18 5.56 1.02 -1.26 -1.90 119.74 128.62 3i8g s LYS 54 Ca 0.91 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.67 3i8g s LYS 54 Cb -1.00 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 32.31 3i8g s LYS 54 CO 0.55 -1.07 -0.15 0.08 -0.92 0.00 0.00 175.35 173.84 3i8g s VAL 55 N 3.00 1.66 0.18 3.17 1.01 -1.24 -1.29 120.40 126.90 3i8g s VAL 55 Ca 0.25 -2.07 0.08 0.00 0.00 0.00 0.00 61.98 60.24 3i8g s VAL 55 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3i8g s VAL 55 CO 0.20 -0.52 -0.16 0.00 0.00 0.00 0.00 175.10 174.62 3i8g s ALA 56 N -2.67 1.93 -0.13 5.51 0.00 0.93 -1.65 121.76 125.68 3i8g s ALA 56 Ca 0.19 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 3i8g s ALA 56 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3i8g s ALA 56 CO 0.06 0.14 -0.00 0.15 0.00 0.00 0.00 175.76 176.10 3i8g s LYS 57 N -3.16 3.41 -0.05 0.00 1.02 -0.53 0.11 119.74 120.53 3i8g s LYS 57 Ca 0.18 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.75 3i8g s LYS 57 Cb -0.03 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 3i8g s LYS 57 CO 0.06 0.46 -0.12 0.08 -0.92 0.00 0.00 175.35 174.91 3i8g s VAL 58 N -0.21 1.11 -0.35 3.17 1.01 0.12 0.23 120.40 125.48 3i8g s VAL 58 Ca 0.05 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.30 3i8g s VAL 58 Cb -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.26 3i8g s VAL 58 CO 0.02 0.34 0.76 -0.60 0.00 0.00 0.00 175.10 175.63 3i8g s ARG 59 N 0.44 3.77 0.73 2.72 3.52 -0.44 -0.52 118.95 129.18 3i8g s ARG 59 Ca -0.10 0.31 -0.11 0.00 -0.13 0.00 0.00 55.73 55.70 3i8g s ARG 59 Cb -0.13 -3.80 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 3i8g s ARG 59 CO 0.03 -0.81 1.07 -0.51 -0.81 0.00 0.00 175.30 174.27 3i8g s LEU 60 N 3.03 2.98 0.00 -0.88 2.01 -1.26 -3.32 118.68 121.24 3i8g s LEU 60 Ca 0.30 1.57 -0.00 0.00 0.01 0.00 0.00 54.13 56.01 3i8g s LEU 60 Cb -0.13 -4.36 -0.00 0.00 0.01 0.00 0.00 46.19 41.70 3i8g s LEU 60 CO 0.16 -1.66 0.04 0.35 1.01 0.00 0.00 176.35 176.25 3i8g n THR 61 N -3.26 -0.01 -2.39 5.49 -2.24 -1.23 -0.48 114.28 110.15 3i8g n THR 61 Ca 0.08 0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 3i8g n THR 61 Cb 0.54 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3i8g n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i8g n SER 62 N -2.85 5.17 -0.71 3.42 3.41 -1.26 -4.78 113.62 116.02 3i8g n SER 62 Ca 0.00 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 3i8g n SER 62 Cb 0.00 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.49 3i8g n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8g n GLY 63 N 2.74 -0.03 0.00 5.00 0.00 0.36 -4.81 105.19 108.46 3i8g n GLY 63 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3i8g n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i8g n TYR 64 N -0.70 0.00 0.00 1.61 4.02 -1.16 -4.74 117.16 116.20 3i8g n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i8g n TYR 64 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 3i8g n TYR 64 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3i8g n GLU 65 N 0.00 0.00 -4.33 -0.72 1.02 -1.22 -4.69 120.64 110.69 3i8g n GLU 65 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 3i8g n GLU 65 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 3i8g n GLU 65 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3i8g s VAL 66 N 0.00 1.07 -0.16 2.62 -7.23 0.32 -4.92 120.40 112.10 3i8g s VAL 66 Ca 0.00 -2.04 -0.13 0.00 -1.81 0.00 0.00 61.98 58.00 3i8g s VAL 66 Cb 0.00 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 3i8g s VAL 66 CO 0.00 -0.33 0.28 0.42 -0.31 0.00 0.00 175.10 175.16 3i8g s THR 67 N -3.40 5.31 -0.05 5.32 -4.23 -1.26 0.13 115.64 117.45 3i8g s THR 67 Ca 0.28 0.53 0.04 0.00 -1.18 0.00 0.00 61.69 61.35 3i8g s THR 67 Cb 0.05 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.28 3i8g s THR 67 CO 0.09 0.41 -0.16 0.00 -0.54 0.00 0.00 174.62 174.41 3i8g s ALA 68 N 0.35 1.50 0.70 3.99 0.00 0.30 -4.11 121.76 124.49 3i8g s ALA 68 Ca 0.16 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 3i8g s ALA 68 Cb -0.13 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.46 3i8g s ALA 68 CO 0.04 0.23 1.11 -0.47 0.00 0.00 0.00 175.76 176.67 3i8g s TYR 69 N 0.23 2.59 -0.39 0.00 6.14 -0.91 -0.05 117.35 124.97 3i8g s TYR 69 Ca -0.08 1.56 -0.02 0.00 0.64 0.00 0.00 57.07 59.16 3i8g s TYR 69 Cb -0.13 -3.14 0.10 0.00 0.42 0.00 0.00 41.96 39.21 3i8g s TYR 69 CO 0.03 -1.75 0.16 0.42 0.64 0.00 0.00 175.55 175.05 3i8g s ILE 70 N -2.51 3.15 1.06 3.14 -1.09 -0.41 -2.16 121.20 122.37 3i8g s ILE 70 Ca 0.65 -1.99 -0.12 0.00 -2.23 0.00 0.00 60.65 56.96 3i8g s ILE 70 Cb -0.20 -3.13 0.22 0.00 -1.58 0.00 0.00 42.46 37.78 3i8g s ILE 70 CO 0.46 -0.60 1.07 -2.84 -1.23 0.00 0.00 174.94 171.80 3i8g s PRO 71 N 1.13 -0.08 2.83 2.79 0.02 -1.26 -4.73 135.00 135.70 3i8g s PRO 71 Ca 0.07 0.92 0.00 0.00 0.02 0.00 0.00 61.00 62.01 3i8g s PRO 71 Cb -0.22 -1.65 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3i8g s PRO 71 CO -0.04 -3.18 0.00 0.41 -0.33 0.00 0.00 177.00 173.86 3i8g n GLY 72 N 0.14 0.60 3.34 0.52 0.00 -1.26 -4.80 105.19 103.73 3i8g n GLY 72 Ca 0.05 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 3i8g n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8g s GLU 73 N 0.00 2.60 0.01 1.61 2.02 -1.26 -5.03 118.70 118.64 3i8g s GLU 73 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3i8g s GLU 73 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3i8g s GLU 73 CO 0.00 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3i8g n GLY 74 N 2.80 -2.21 0.00 -1.39 0.00 -1.26 -4.49 105.19 98.64 3i8g n GLY 74 Ca -0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3i8g n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i8g n HIS 75 N -2.34 0.00 1.25 1.61 1.44 -1.26 -4.95 115.22 110.97 3i8g n HIS 75 Ca -0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 3i8g n HIS 75 Cb 0.01 0.00 0.40 0.00 0.12 0.00 0.00 29.99 30.52 3i8g n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3i8g n ASN 76 N 0.00 1.81 -4.77 4.39 6.94 -1.26 -4.94 115.26 117.43 3i8g n ASN 76 Ca 0.00 -1.67 -0.41 0.00 -0.02 0.00 0.00 54.58 52.48 3i8g n ASN 76 Cb 0.00 -0.07 -0.01 0.00 -2.36 0.00 0.00 39.78 37.34 3i8g n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3i8g s LEU 77 N -1.74 4.35 0.00 -4.53 1.43 -1.26 -4.98 118.68 111.95 3i8g s LEU 77 Ca 0.35 2.92 0.00 0.00 -1.03 0.00 0.00 54.13 56.37 3i8g s LEU 77 Cb 0.19 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3i8g s LEU 77 CO 0.29 -0.80 0.00 0.00 0.23 0.00 0.00 176.35 176.08 3i8g n GLN 78 N 1.03 0.00 0.00 1.70 10.64 -1.26 -4.99 117.38 124.50 3i8g n GLN 78 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 3i8g n GLN 78 Cb 0.39 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.77 3i8g n GLN 78 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3i8g n GLU 79 N 0.00 0.00 -1.18 2.61 4.07 -1.26 -3.41 120.64 121.47 3i8g n GLU 79 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 3i8g n GLU 79 Cb 0.00 -0.24 -0.04 0.00 -0.06 0.00 0.00 31.44 31.10 3i8g n GLU 79 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3i8g n HIS 80 N 0.00 1.24 -3.47 4.31 8.25 -1.26 -3.83 115.22 120.46 3i8g n HIS 80 Ca 0.00 -1.83 -0.37 0.00 -0.26 0.00 0.00 57.72 55.26 3i8g n HIS 80 Cb 0.00 -1.24 -0.07 0.00 1.12 0.00 0.00 29.99 29.81 3i8g n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3i8g s SER 81 N 0.64 6.51 0.58 0.41 1.04 -1.22 -4.86 113.70 116.80 3i8g s SER 81 Ca 0.48 0.60 -0.17 0.00 0.48 0.00 0.00 55.95 57.34 3i8g s SER 81 Cb 0.31 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 3i8g s SER 81 CO -0.11 0.07 1.07 -0.69 0.98 0.00 0.00 173.24 174.56 3i8g s VAL 82 N 0.52 3.67 -0.18 5.02 1.01 -1.26 -2.33 120.40 126.85 3i8g s VAL 82 Ca 0.19 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 62.74 3i8g s VAL 82 Cb -0.14 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.01 3i8g s VAL 82 CO 0.06 -0.41 0.96 0.54 0.00 0.00 0.00 175.10 176.25 3i8g s VAL 83 N -2.30 0.00 -0.09 2.92 0.11 -0.06 -2.27 120.40 118.72 3i8g s VAL 83 Ca 0.65 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.55 3i8g s VAL 83 Cb -0.17 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.63 3i8g s VAL 83 CO 0.34 0.00 0.40 -0.22 -3.33 0.00 0.00 175.10 172.29 3i8g s LEU 84 N -0.76 4.34 0.51 2.54 0.20 -1.26 -1.44 118.68 122.81 3i8g s LEU 84 Ca -0.02 0.79 -0.03 0.00 0.69 0.00 0.00 54.13 55.56 3i8g s LEU 84 Cb -0.02 -2.57 -0.00 0.00 -0.43 0.00 0.00 46.19 43.17 3i8g s LEU 84 CO 0.01 0.14 0.79 -0.51 -0.29 0.00 0.00 176.35 176.49 3i8g s ILE 85 N -0.02 4.05 0.00 6.68 1.10 -0.71 -0.55 121.20 131.75 3i8g s ILE 85 Ca 0.23 -0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.21 3i8g s ILE 85 Cb -0.15 -3.55 0.00 0.00 0.15 0.00 0.00 42.46 38.91 3i8g s ILE 85 CO 0.10 -0.49 0.00 -1.14 -2.11 0.00 0.00 174.94 171.30 3i8g n ARG 86 N -2.32 0.00 -0.10 3.50 0.63 0.24 -3.69 116.66 114.92 3i8g n ARG 86 Ca 0.02 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.96 3i8g n ARG 86 Cb 0.57 -0.13 -0.01 0.00 0.45 0.00 0.00 32.46 33.34 3i8g n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i8g n GLY 87 N 0.00 -2.69 0.00 5.14 0.00 -1.26 -4.80 105.19 101.59 3i8g n GLY 87 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3i8g n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8g n GLY 88 N -2.13 1.90 0.00 -0.02 0.00 -1.17 -3.42 105.19 100.36 3i8g n GLY 88 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3i8g n GLY 88 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i8g n ARG 89 N 1.05 -0.10 -3.04 1.61 0.63 -1.25 -2.95 116.66 112.61 3i8g n ARG 89 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 3i8g n ARG 89 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 3i8g n ARG 89 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3i8g s VAL 90 N -0.41 -0.85 -0.11 5.15 1.01 -1.19 -4.75 120.40 119.25 3i8g s VAL 90 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3i8g s VAL 90 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 3i8g s VAL 90 CO 0.00 -0.14 1.15 1.17 0.00 0.00 0.00 175.10 177.29 3i8g n LYS 91 N 3.65 0.24 0.00 2.72 4.81 -1.26 -1.08 118.16 127.25 3i8g n LYS 91 Ca 0.15 -0.64 0.00 0.00 -0.87 0.00 0.00 58.31 56.96 3i8g n LYS 91 Cb 0.55 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.52 3i8g n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3i8g n ASP 92 N 5.09 0.00 -3.92 3.14 2.03 -1.26 -5.07 116.55 116.56 3i8g n ASP 92 Ca 0.07 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.08 3i8g n ASP 92 Cb 0.03 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.28 3i8g n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i8g s LEU 93 N 0.00 3.02 -0.05 -2.67 1.43 -0.24 -2.84 118.68 117.34 3i8g s LEU 93 Ca 0.00 -1.49 -0.30 0.00 -1.03 0.00 0.00 54.13 51.32 3i8g s LEU 93 Cb 0.00 -1.23 -0.07 0.00 0.03 0.00 0.00 46.19 44.92 3i8g s LEU 93 CO 0.00 -0.30 1.81 -2.84 0.23 0.00 0.00 176.35 175.25 3i8g s PRO 94 N 1.32 4.06 0.00 1.29 0.02 -1.26 -2.56 135.00 137.87 3i8g s PRO 94 Ca 0.01 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3i8g s PRO 94 Cb -0.19 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.25 3i8g s PRO 94 CO -0.10 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 175.96 3i8g n GLY 95 N 4.45 0.91 2.92 0.52 0.00 -1.26 -5.08 105.19 107.65 3i8g n GLY 95 Ca 0.19 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3i8g n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8g s VAL 96 N -2.00 1.15 -0.04 1.61 1.01 -1.06 -4.63 120.40 116.45 3i8g s VAL 96 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3i8g s VAL 96 Cb 0.00 -1.21 0.11 0.00 0.00 0.00 0.00 36.38 35.28 3i8g s VAL 96 CO 0.00 0.30 1.05 0.54 0.00 0.00 0.00 175.10 176.99 3i8g n ARG 97 N 4.89 0.37 -3.68 2.72 1.74 -1.26 -3.16 116.66 118.27 3i8g n ARG 97 Ca -0.13 -1.51 -0.12 0.00 -0.77 0.00 0.00 57.85 55.32 3i8g n ARG 97 Cb 0.49 -0.76 -0.13 0.00 -1.02 0.00 0.00 32.46 31.05 3i8g n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i8g s TYR 98 N -0.82 -0.45 0.37 -1.55 1.51 -1.15 -3.07 117.35 112.19 3i8g s TYR 98 Ca 0.11 1.01 -0.11 0.00 -1.01 0.00 0.00 57.07 57.07 3i8g s TYR 98 Cb 0.10 0.05 -0.07 0.00 -0.11 0.00 0.00 41.96 41.94 3i8g s TYR 98 CO -0.00 -0.33 0.74 -1.01 -1.11 0.00 0.00 175.55 173.84 3i8g s HIS 99 N 2.00 3.45 -0.07 2.71 3.76 -1.19 -2.13 115.29 123.81 3i8g s HIS 99 Ca -0.03 1.04 -0.13 0.00 -0.15 0.00 0.00 55.06 55.79 3i8g s HIS 99 Cb -0.11 -2.43 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 3i8g s HIS 99 CO -0.09 -0.03 0.31 0.42 -0.85 0.00 0.00 174.74 174.50 3i8g s ILE 100 N -2.26 5.22 -0.17 0.60 1.01 -0.92 -0.59 121.20 124.09 3i8g s ILE 100 Ca 0.51 0.61 -0.26 0.00 0.00 0.00 0.00 60.65 61.52 3i8g s ILE 100 Cb -0.10 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 3i8g s ILE 100 CO 0.28 0.54 0.85 -0.69 0.00 0.00 0.00 174.94 175.92 3i8g s VAL 101 N -0.70 4.87 0.82 2.92 1.01 0.29 -4.69 120.40 124.92 3i8g s VAL 101 Ca 0.20 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 3i8g s VAL 101 Cb -0.15 -4.15 0.09 0.00 0.00 0.00 0.00 36.38 32.17 3i8g s VAL 101 CO 0.09 0.02 1.18 -0.13 0.00 0.00 0.00 175.10 176.25 3i8g s ARG 102 N 2.18 1.87 0.00 2.72 0.52 -1.26 -3.87 118.95 121.11 3i8g s ARG 102 Ca 0.39 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 3i8g s ARG 102 Cb -0.17 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3i8g s ARG 102 CO 0.12 -1.66 0.00 0.41 0.02 0.00 0.00 175.30 174.19 3i8g n GLY 103 N -3.21 0.00 3.47 -3.53 0.00 0.12 -4.56 105.19 97.48 3i8g n GLY 103 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3i8g n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8g s VAL 104 N -0.82 3.64 0.00 1.61 1.01 -0.71 -4.85 120.40 120.28 3i8g s VAL 104 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3i8g s VAL 104 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3i8g s VAL 104 CO 0.00 0.51 0.00 -1.22 0.00 0.00 0.00 175.10 174.39 3i8g n TYR 105 N 3.40 0.00 0.76 5.22 0.53 -1.26 -2.06 117.16 123.74 3i8g n TYR 105 Ca -0.18 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.83 3i8g n TYR 105 Cb 0.53 0.00 0.39 0.00 -1.03 0.00 0.00 39.34 39.23 3i8g n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3i8g n ASP 106 N 6.14 0.54 -4.67 7.72 10.43 -0.96 -4.78 116.55 130.97 3i8g n ASP 106 Ca 0.00 0.36 -0.43 0.00 2.57 0.00 0.00 54.79 57.29 3i8g n ASP 106 Cb 0.00 -0.38 -0.02 0.00 1.84 0.00 0.00 41.12 42.55 3i8g n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i8g s ALA 107 N -3.08 3.63 0.12 2.24 0.00 -0.87 -4.67 121.76 119.12 3i8g s ALA 107 Ca 0.11 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 3i8g s ALA 107 Cb 0.15 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3i8g s ALA 107 CO 0.62 -1.02 0.34 0.00 0.00 0.00 0.00 175.76 175.69 3i8g s ALA 108 N 3.09 3.84 0.82 0.00 0.00 -1.26 0.15 121.76 128.40 3i8g s ALA 108 Ca 0.50 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 3i8g s ALA 108 Cb -0.19 -2.06 0.09 0.00 0.00 0.00 0.00 23.12 20.95 3i8g s ALA 108 CO 0.13 0.70 1.13 0.20 0.00 0.00 0.00 175.76 177.92 3i8g s GLY 109 N -2.43 1.78 0.07 0.00 0.00 -1.21 -3.78 107.32 101.75 3i8g s GLY 109 Ca 0.39 0.49 -0.31 0.00 0.00 0.00 0.00 44.72 45.30 3i8g s GLY 109 CO 0.25 0.87 1.68 0.14 0.00 0.00 0.00 173.10 176.04 3i8g s VAL 110 N -2.67 3.01 0.42 1.40 1.01 -0.81 -4.90 120.40 117.86 3i8g s VAL 110 Ca 0.65 0.44 -0.26 0.00 0.00 0.00 0.00 61.98 62.82 3i8g s VAL 110 Cb -0.21 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 3i8g s VAL 110 CO 0.55 -0.00 1.35 -0.54 0.00 0.00 0.00 175.10 176.46 3i8g s LYS 111 N 2.74 3.90 0.00 2.72 1.02 -1.26 -2.89 119.74 125.97 3i8g s LYS 111 Ca 0.75 2.27 0.00 0.00 0.02 0.00 0.00 55.97 59.01 3i8g s LYS 111 Cb -0.40 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3i8g s LYS 111 CO 0.33 -0.59 0.00 -0.25 -0.92 0.00 0.00 175.35 173.92 3i8g n ASP 112 N 0.07 -0.49 -4.76 2.83 10.43 -1.26 -4.95 116.55 118.42 3i8g n ASP 112 Ca 0.04 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.99 3i8g n ASP 112 Cb 0.43 -2.06 -0.02 0.00 1.84 0.00 0.00 41.12 41.31 3i8g n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3i8g s ARG 113 N -0.86 4.30 0.00 -1.24 6.06 -1.14 -4.91 118.95 121.15 3i8g s ARG 113 Ca 0.00 2.27 0.00 0.00 -2.50 0.00 0.00 55.73 55.50 3i8g s ARG 113 Cb 0.00 -3.09 0.00 0.00 0.06 0.00 0.00 34.95 31.92 3i8g s ARG 113 CO 0.00 -0.33 0.00 1.63 -2.50 0.00 0.00 175.30 174.10 3i8g n LYS 114 N 1.66 1.42 -3.46 5.12 5.02 -1.26 -4.88 118.16 121.78 3i8g n LYS 114 Ca 0.04 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 3i8g n LYS 114 Cb 0.41 -0.86 -0.06 0.00 -0.02 0.00 0.00 35.03 34.50 3i8g n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i8g s LYS 115 N -1.71 4.05 -0.98 1.97 1.02 -1.26 -4.16 119.74 118.67 3i8g s LYS 115 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.39 3i8g s LYS 115 Cb 0.00 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3i8g s LYS 115 CO 0.00 0.53 0.00 -1.13 -0.92 0.00 0.00 175.35 173.83 3i8g n SER 116 N 2.41 -3.03 0.00 2.83 3.41 -1.26 -4.75 113.62 113.23 3i8g n SER 116 Ca -0.12 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3i8g n SER 116 Cb 0.52 -2.76 0.02 0.00 -0.26 0.00 0.00 64.21 61.73 3i8g n SER 116 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3i8g n ARG 117 N -2.20 0.06 0.10 4.33 1.85 -1.26 -2.08 116.66 117.46 3i8g n ARG 117 Ca -0.11 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.51 3i8g n ARG 117 Cb 0.46 -1.17 -0.14 0.00 -1.05 0.00 0.00 32.46 30.56 3i8g n ARG 117 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3i8g h SER 118 N 0.00 0.81 0.00 2.89 0.87 -1.85 -1.50 113.55 114.77 3i8g h SER 118 Ca 0.00 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 3i8g h SER 118 Cb 0.00 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3i8g h SER 118 CO 0.00 1.59 0.00 0.29 -0.53 0.00 0.00 176.83 178.18 3i8g n LYS 119 N -3.84 0.99 -0.57 2.24 5.02 -0.88 -2.88 118.16 118.23 3i8g n LYS 119 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3i8g n LYS 119 Cb 0.98 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 3i8g n LYS 119 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i8g n TYR 120 N -0.25 0.00 -4.09 2.13 4.01 -1.18 -4.89 117.16 112.89 3i8g n TYR 120 Ca 0.00 -0.04 -0.46 0.00 -0.16 0.00 0.00 57.90 57.24 3i8g n TYR 120 Cb 0.12 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 3i8g n TYR 120 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i8g n GLY 121 N 0.03 -0.79 2.97 2.72 0.00 -1.09 -1.93 105.19 107.10 3i8g n GLY 121 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 3i8g n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i8g s THR 122 N -3.59 1.53 1.10 2.61 2.01 -0.58 -3.34 115.64 115.37 3i8g s THR 122 Ca 0.46 -0.99 -0.19 0.00 0.31 0.00 0.00 61.69 61.28 3i8g s THR 122 Cb -0.25 -1.66 0.09 0.00 0.01 0.00 0.00 72.50 70.69 3i8g s THR 122 CO 0.97 0.11 -0.10 0.29 -0.69 0.00 0.00 174.62 175.20 3i8g n LYS 123 N 4.71 -1.63 -2.34 4.92 4.76 -1.26 -4.72 118.16 122.59 3i8g n LYS 123 Ca -0.14 -0.47 -0.42 0.00 -2.87 0.00 0.00 58.31 54.41 3i8g n LYS 123 Cb 0.46 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 3i8g n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3i8g s LYS 124 N -3.31 3.43 0.24 1.97 2.47 -1.26 -4.97 119.74 118.30 3i8g s LYS 124 Ca 0.50 0.76 -0.31 0.00 -1.56 0.00 0.00 55.97 55.37 3i8g s LYS 124 Cb -0.08 -4.08 -0.11 0.00 -1.46 0.00 0.00 37.83 32.10 3i8g s LYS 124 CO 0.60 -1.76 1.57 -1.25 0.16 0.00 0.00 175.35 174.67 3i8g s PRO 125 N 5.25 4.18 0.02 4.03 0.04 -1.26 -4.93 135.00 142.33 3i8g s PRO 125 Ca 0.59 2.47 -0.30 0.00 0.04 0.00 0.00 61.00 63.79 3i8g s PRO 125 Cb -0.13 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 3i8g s PRO 125 CO 0.30 -0.59 1.17 0.21 0.04 0.00 0.00 177.00 178.13 3i8g s LYS 126 N 0.15 4.43 -0.03 4.56 2.20 -1.26 -4.96 119.74 124.82 3i8g s LYS 126 Ca 0.65 1.70 -0.16 0.00 -0.36 0.00 0.00 55.97 57.80 3i8g s LYS 126 Cb -0.46 -3.42 -0.09 0.00 -1.51 0.00 0.00 37.83 32.35 3i8g s LYS 126 CO 0.41 -0.28 0.68 0.93 -0.36 0.00 0.00 175.35 176.72 3i8g h GLU 127 N 6.99 -0.54 0.00 4.03 4.39 -2.05 -3.47 114.58 123.93 3i8g h GLU 127 Ca -0.39 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3i8g h GLU 127 Cb 1.20 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3i8g h GLU 127 CO 0.82 -0.34 0.00 0.00 -1.16 0.00 0.00 179.01 178.34 3i8g n ALA 128 N -2.72 0.00 0.13 3.43 0.00 -1.26 -5.35 120.51 114.73 3i8g n ALA 128 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.38 3i8g n ALA 128 Cb 0.23 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.65 3i8g n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50