#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qip s GLY 9 N 0.00 1.81 0.41 -0.02 0.00 -1.26 -5.08 107.32 103.18 1qip s GLY 9 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 44.72 43.20 1qip s GLY 9 CO 0.00 -1.01 0.87 1.08 0.00 0.00 0.00 173.10 174.04 1qip s LEU 10 N -4.85 3.92 0.78 0.66 1.43 -1.26 -5.06 118.68 114.30 1qip s LEU 10 Ca 0.59 1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 1qip s LEU 10 Cb -0.10 -4.35 0.06 0.00 0.03 0.00 0.00 46.19 41.84 1qip s LEU 10 CO 0.40 -0.35 1.12 0.42 0.23 0.00 0.00 176.35 178.16 1qip s THR 11 N -2.21 2.85 0.17 5.49 -4.23 -1.26 -4.86 115.64 111.60 1qip s THR 11 Ca 0.58 0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 61.23 1qip s THR 11 Cb -0.10 -3.16 0.06 0.00 1.34 0.00 0.00 72.50 70.64 1qip s THR 11 CO 0.19 -0.36 1.80 0.44 -0.54 0.00 0.00 174.62 176.15 1qip h ASP 12 N -0.99 0.63 -0.63 3.99 3.32 -1.99 -0.84 116.42 119.90 1qip h ASP 12 Ca -0.47 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 1qip h ASP 12 Cb 1.28 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1qip h ASP 12 CO 0.63 0.50 0.37 -0.33 -1.72 0.00 0.00 179.24 178.68 1qip h GLU 13 N 0.70 0.86 -0.33 3.56 3.07 -1.99 -1.77 114.58 118.67 1qip h GLU 13 Ca 0.19 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 1qip h GLU 13 Cb -0.01 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 1qip h GLU 13 CO -0.03 0.63 0.08 0.00 -1.40 0.00 0.00 179.01 178.28 1qip h ALA 14 N 1.18 0.44 -0.57 3.43 0.00 -1.86 -1.19 119.26 120.70 1qip h ALA 14 Ca 0.22 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1qip h ALA 14 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1qip h ALA 14 CO -0.04 0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.61 1qip h ALA 15 N 0.92 0.74 -0.22 0.00 0.00 -0.96 -2.01 119.26 117.72 1qip h ALA 15 Ca 0.10 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1qip h ALA 15 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qip h ALA 15 CO 0.00 -0.03 -0.26 -0.07 0.00 0.00 0.00 179.25 178.89 1qip h LEU 16 N 0.57 0.41 -1.59 0.00 3.38 -1.11 -2.48 115.31 114.49 1qip h LEU 16 Ca 0.25 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1qip h LEU 16 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1qip h LEU 16 CO -0.16 0.67 -0.15 -1.28 0.09 0.00 0.00 178.44 177.60 1qip h SER 17 N 0.36 0.06 0.98 -0.43 0.87 -0.52 -1.22 113.55 113.65 1qip h SER 17 Ca 0.05 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1qip h SER 17 Cb 0.65 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1qip h SER 17 CO 0.05 0.23 0.00 0.00 -0.53 0.00 0.00 176.83 176.57 1qip s SER 20 N -2.10 3.87 0.65 0.00 0.01 -1.26 -5.00 113.70 109.86 1qip s SER 20 Ca 0.40 -0.76 -0.17 0.00 1.31 0.00 0.00 55.95 56.73 1qip s SER 20 Cb -0.13 -0.49 -0.00 0.00 0.21 0.00 0.00 66.02 65.61 1qip s SER 20 CO 0.21 0.09 1.17 -1.81 0.41 0.00 0.00 173.24 173.31 1qip s ASP 21 N -2.95 4.92 0.03 2.44 1.01 -1.26 -4.92 116.67 115.94 1qip s ASP 21 Ca 0.25 2.24 -0.30 0.00 0.71 0.00 0.00 52.55 55.45 1qip s ASP 21 Cb -0.08 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 1qip s ASP 21 CO 0.14 -1.77 1.62 0.00 0.21 0.00 0.00 175.17 175.37 1qip s ALA 22 N -1.95 3.65 0.55 5.23 0.00 -1.26 -4.98 121.76 123.01 1qip s ALA 22 Ca 0.73 1.11 -0.21 0.00 0.00 0.00 0.00 51.96 53.59 1qip s ALA 22 Cb -0.26 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.11 1qip s ALA 22 CO 0.38 -1.14 1.24 0.34 0.00 0.00 0.00 175.76 176.58 1qip s ASP 23 N 2.55 5.45 0.56 0.00 2.15 -1.26 -4.89 116.67 121.22 1qip s ASP 23 Ca 0.73 2.48 0.24 0.00 0.43 0.00 0.00 52.55 56.42 1qip s ASP 23 Cb -0.37 -2.61 1.52 0.00 -0.30 0.00 0.00 42.92 41.16 1qip s ASP 23 CO 0.31 -1.43 2.13 -0.65 -0.17 0.00 0.00 175.17 175.37 1qip h PRO 24 N 1.33 0.00 0.00 4.34 0.11 -2.01 -0.75 132.00 135.02 1qip h PRO 24 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qip h PRO 24 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1qip h PRO 24 CO 0.57 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.02 1qip h SER 25 N 0.00 0.00 -0.62 -2.05 4.64 -2.03 -1.88 113.55 111.61 1qip h SER 25 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1qip h SER 25 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1qip h SER 25 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1qip n THR 26 N -2.45 0.88 -1.81 2.95 -2.24 -0.29 -4.95 114.28 106.37 1qip n THR 26 Ca 0.01 -0.84 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 1qip n THR 26 Cb 0.19 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1qip n THR 26 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1qip s LYS 27 N -1.21 4.14 0.00 -0.78 2.20 -0.71 -1.59 119.74 121.79 1qip s LYS 27 Ca 0.42 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 1qip s LYS 27 Cb 0.22 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 1qip s LYS 27 CO 0.28 -0.60 0.00 -0.25 -0.36 0.00 0.00 175.35 174.42 1qip n ASP 28 N 2.02 -0.97 -4.76 1.43 9.92 -1.26 -5.00 116.55 117.93 1qip n ASP 28 Ca 0.07 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.95 1qip n ASP 28 Cb 0.38 -0.54 0.02 0.00 -0.64 0.00 0.00 41.12 40.33 1qip n ASP 28 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1qip s PHE 29 N -3.07 2.57 -0.00 1.24 0.40 -0.62 -5.02 117.98 113.47 1qip s PHE 29 Ca 0.00 1.44 -0.05 0.00 -0.60 0.00 0.00 56.93 57.72 1qip s PHE 29 Cb 0.00 -3.61 -0.00 0.00 0.51 0.00 0.00 43.02 39.92 1qip s PHE 29 CO 0.00 -2.26 0.10 -0.48 0.70 0.00 0.00 175.22 173.28 1qip s LEU 30 N -3.25 1.68 -0.70 -0.37 0.05 -1.26 -5.10 118.68 109.73 1qip s LEU 30 Ca 0.67 -0.19 -0.24 0.00 0.05 0.00 0.00 54.13 54.43 1qip s LEU 30 Cb -0.35 0.52 0.06 0.00 -2.05 0.00 0.00 46.19 44.37 1qip s LEU 30 CO 0.42 -0.30 1.09 -0.22 -0.55 0.00 0.00 176.35 176.79 1qip s LEU 31 N -1.16 3.99 -0.06 1.48 2.96 -1.26 -4.88 118.68 119.75 1qip s LEU 31 Ca -0.13 -0.86 -0.06 0.00 -0.22 0.00 0.00 54.13 52.87 1qip s LEU 31 Cb -0.07 -2.47 -0.28 0.00 0.50 0.00 0.00 46.19 43.87 1qip s LEU 31 CO 0.01 -1.56 0.62 -0.61 -1.32 0.00 0.00 176.35 173.48 1qip h GLN 32 N 9.70 0.28 -3.38 1.98 -0.00 -1.94 -2.80 115.11 118.96 1qip h GLN 32 Ca -0.26 -0.48 -0.05 0.00 -0.00 0.00 0.00 58.65 57.86 1qip h GLN 32 Cb 1.06 0.18 -0.13 0.00 0.00 0.00 0.00 27.48 28.59 1qip h GLN 32 CO 1.22 1.16 -0.06 1.14 0.00 0.00 0.00 178.83 182.29 1qip s GLN 33 N -2.58 1.08 -0.11 1.69 -2.07 -1.26 -1.06 119.66 115.35 1qip s GLN 33 Ca -0.15 -0.70 0.02 0.00 -1.82 0.00 0.00 55.36 52.70 1qip s GLN 33 Cb 0.06 0.48 0.01 0.00 -1.09 0.00 0.00 33.01 32.47 1qip s GLN 33 CO 0.82 -0.43 -0.16 0.99 -1.32 0.00 0.00 175.29 175.20 1qip s THR 34 N -3.80 1.53 -0.19 3.63 2.01 -0.72 -4.93 115.64 113.17 1qip s THR 34 Ca 0.03 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 1qip s THR 34 Cb 0.02 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1qip s THR 34 CO -0.12 0.45 0.06 -0.32 -0.69 0.00 0.00 174.62 174.00 1qip s MET 35 N 0.91 3.97 -0.01 4.92 1.75 -1.26 -0.74 119.30 128.84 1qip s MET 35 Ca -0.08 -0.35 0.05 0.00 -1.25 0.00 0.00 55.69 54.06 1qip s MET 35 Cb -0.15 -3.23 -0.01 0.00 2.84 0.00 0.00 34.83 34.28 1qip s MET 35 CO -0.00 0.25 -0.15 -0.51 -0.65 0.00 0.00 175.02 173.95 1qip s LEU 36 N 0.43 2.05 0.07 4.11 1.43 -0.52 -4.96 118.68 121.29 1qip s LEU 36 Ca 0.03 -0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 1qip s LEU 36 Cb -0.12 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.27 1qip s LEU 36 CO 0.00 0.17 0.70 -0.13 0.23 0.00 0.00 176.35 177.32 1qip s ARG 37 N -0.45 4.43 -0.07 1.70 0.52 -1.26 -1.13 118.95 122.68 1qip s ARG 37 Ca 0.05 0.96 0.05 0.00 -0.52 0.00 0.00 55.73 56.27 1qip s ARG 37 Cb -0.06 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.09 1qip s ARG 37 CO -0.00 0.43 -0.22 0.14 0.02 0.00 0.00 175.30 175.67 1qip s VAL 38 N -0.52 1.82 0.14 3.52 -7.23 -0.14 -4.88 120.40 113.12 1qip s VAL 38 Ca 0.35 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 59.47 1qip s VAL 38 Cb -0.20 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 35.17 1qip s VAL 38 CO 0.22 0.51 1.57 0.50 -0.31 0.00 0.00 175.10 177.59 1qip h LYS 39 N 6.35 0.82 -3.37 4.82 3.64 -1.96 -3.40 116.57 123.48 1qip h LYS 39 Ca -0.29 -0.28 -0.54 0.00 -1.27 0.00 0.00 60.65 58.27 1qip h LYS 39 Cb 1.19 -0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 32.55 1qip h LYS 39 CO 0.47 0.90 -0.76 0.34 -2.27 0.00 0.00 179.45 178.13 1qip s ASP 40 N -6.37 3.35 0.39 4.20 -1.08 -1.26 -2.95 116.67 112.96 1qip s ASP 40 Ca -0.12 -1.16 0.11 0.00 -0.52 0.00 0.00 52.55 50.86 1qip s ASP 40 Cb 0.11 -0.61 0.81 0.00 -1.46 0.00 0.00 42.92 41.77 1qip s ASP 40 CO 0.82 -0.37 1.90 1.55 0.52 0.00 0.00 175.17 179.59 1qip h PRO 41 N 8.24 0.12 -0.45 4.34 0.13 -1.98 -1.86 132.00 140.55 1qip h PRO 41 Ca -0.16 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1qip h PRO 41 Cb 1.07 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1qip h PRO 41 CO 0.40 0.34 0.29 0.87 -0.23 0.00 0.00 178.00 179.67 1qip h LYS 42 N 0.11 0.58 -0.40 0.86 1.57 -1.99 0.16 116.57 117.46 1qip h LYS 42 Ca 0.02 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1qip h LYS 42 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1qip h LYS 42 CO 0.03 0.38 -0.35 0.87 -0.57 0.00 0.00 179.45 179.81 1qip h LYS 43 N 0.60 0.93 -0.42 3.15 1.57 -1.88 -2.67 116.57 117.85 1qip h LYS 43 Ca 0.16 -0.47 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 1qip h LYS 43 Cb -0.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1qip h LYS 43 CO -0.04 1.13 -0.19 0.77 -0.57 0.00 0.00 179.45 180.55 1qip h SER 44 N 0.77 0.89 -0.72 0.86 0.02 -1.15 -1.66 113.55 112.56 1qip h SER 44 Ca 0.07 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 1qip h SER 44 Cb 0.94 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1qip h SER 44 CO 0.09 1.09 0.23 -0.07 -1.14 0.00 0.00 176.83 177.03 1qip h LEU 45 N 0.69 1.04 -0.43 5.07 3.38 -0.71 -0.40 115.31 123.94 1qip h LEU 45 Ca 0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1qip h LEU 45 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1qip h LEU 45 CO 0.06 0.97 0.27 -0.78 0.09 0.00 0.00 178.44 179.04 1qip h ASP 46 N 1.05 0.51 0.42 -0.43 3.58 -1.34 -1.79 116.42 118.42 1qip h ASP 46 Ca 0.23 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1qip h ASP 46 Cb 0.30 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1qip h ASP 46 CO -0.01 0.41 -0.20 0.15 -2.88 0.00 0.00 179.24 176.71 1qip h PHE 47 N 0.57 -0.52 -0.00 0.28 3.57 -0.93 0.50 116.94 120.42 1qip h PHE 47 Ca 0.16 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1qip h PHE 47 Cb -0.02 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1qip h PHE 47 CO -0.04 -0.29 -0.42 1.88 -2.23 0.00 0.00 178.31 177.21 1qip h TYR 48 N -0.62 0.01 0.00 0.41 0.05 -1.06 -1.16 116.97 114.60 1qip h TYR 48 Ca -0.06 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.58 1qip h TYR 48 Cb 0.46 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1qip h TYR 48 CO -0.03 0.42 -1.01 0.25 -1.05 0.00 0.00 178.16 176.74 1qip n THR 49 N -4.04 1.49 -0.04 -2.88 -2.24 -0.68 -0.61 114.28 105.28 1qip n THR 49 Ca -0.02 0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 1qip n THR 49 Cb 0.45 -2.18 -0.09 0.00 -2.10 0.00 0.00 70.33 66.41 1qip n THR 49 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1qip h ARG 50 N -1.00 0.34 0.00 -0.78 2.43 -0.99 -1.03 114.38 113.35 1qip h ARG 50 Ca -0.22 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1qip h ARG 50 Cb 0.99 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1qip h ARG 50 CO -0.13 0.85 -0.00 0.28 -1.51 0.00 0.00 179.97 179.46 1qip h VAL 51 N -0.11 1.62 -0.00 0.20 2.07 -1.22 -3.38 116.25 115.42 1qip h VAL 51 Ca -0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1qip h VAL 51 Cb 0.87 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1qip h VAL 51 CO 0.05 0.54 -0.53 0.18 0.02 0.00 0.00 177.57 177.83 1qip n LEU 52 N -4.64 0.77 -0.19 2.57 4.77 -0.66 -4.97 117.00 114.63 1qip n LEU 52 Ca -0.09 -0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 55.69 1qip n LEU 52 Cb 0.43 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1qip n LEU 52 CO 0.31 0.17 -0.02 0.61 -1.33 0.00 0.00 177.39 177.13 1qip n GLY 53 N 1.46 0.58 3.89 -0.72 0.00 -0.39 -4.95 105.19 105.06 1qip n GLY 53 Ca 0.07 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1qip n GLY 53 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qip s MET 54 N -1.70 2.68 -0.08 1.61 -1.94 0.22 -4.88 119.30 115.19 1qip s MET 54 Ca 0.00 0.36 0.02 0.00 -1.71 0.00 0.00 55.69 54.36 1qip s MET 54 Cb 0.00 -2.02 -0.02 0.00 2.01 0.00 0.00 34.83 34.80 1qip s MET 54 CO 0.00 -1.13 -0.13 0.99 -0.01 0.00 0.00 175.02 174.74 1qip s THR 55 N -3.38 3.14 -0.46 2.05 2.01 0.54 -4.18 115.64 115.35 1qip s THR 55 Ca 0.59 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 1qip s THR 55 Cb -0.11 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.15 1qip s THR 55 CO 0.51 0.57 1.34 -0.22 -0.69 0.00 0.00 174.62 176.12 1qip s LEU 56 N -0.34 3.56 -0.00 4.42 2.96 -1.26 -1.52 118.68 126.50 1qip s LEU 56 Ca 0.03 0.63 0.22 0.00 -0.22 0.00 0.00 54.13 54.79 1qip s LEU 56 Cb -0.13 -3.46 -0.23 0.00 0.50 0.00 0.00 46.19 42.88 1qip s LEU 56 CO 0.02 -1.44 0.75 2.30 -1.32 0.00 0.00 176.35 176.67 1qip n ILE 57 N 6.99 0.03 -3.64 6.68 -5.35 0.42 -4.98 119.36 119.52 1qip n ILE 57 Ca 0.15 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 1qip n ILE 57 Cb 0.48 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 38.76 1qip n ILE 57 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1qip s GLN 58 N -3.25 0.62 -0.09 6.28 2.00 -1.22 -4.86 119.66 119.15 1qip s GLN 58 Ca 0.01 0.75 0.01 0.00 -2.00 0.00 0.00 55.36 54.13 1qip s GLN 58 Cb 0.15 0.30 0.02 0.00 0.80 0.00 0.00 33.01 34.28 1qip s GLN 58 CO 0.87 -0.08 -0.11 0.21 -0.50 0.00 0.00 175.29 175.69 1qip s LYS 59 N 0.32 1.73 -0.05 1.67 2.20 -1.26 -0.63 119.74 123.71 1qip s LYS 59 Ca 0.02 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 1qip s LYS 59 Cb -0.05 -1.55 -0.00 0.00 -1.51 0.00 0.00 37.83 34.72 1qip s LYS 59 CO -0.04 -0.09 -0.19 0.00 -0.36 0.00 0.00 175.35 174.68 1qip s ASP 61 N 0.08 3.04 -0.58 0.00 1.01 -1.26 -0.23 116.67 118.74 1qip s ASP 61 Ca -0.06 -0.50 0.04 0.00 0.71 0.00 0.00 52.55 52.74 1qip s ASP 61 Cb -0.13 -0.73 0.15 0.00 1.01 0.00 0.00 42.92 43.22 1qip s ASP 61 CO 0.03 0.26 0.37 -0.36 0.21 0.00 0.00 175.17 175.68 1qip s PHE 62 N -0.25 2.92 0.33 4.23 0.08 0.23 -5.00 117.98 120.51 1qip s PHE 62 Ca -0.01 -3.02 0.02 0.00 0.12 0.00 0.00 56.93 54.04 1qip s PHE 62 Cb -0.13 -2.40 0.59 0.00 -0.57 0.00 0.00 43.02 40.51 1qip s PHE 62 CO 0.03 -0.67 1.96 -1.00 -0.10 0.00 0.00 175.22 175.43 1qip h PRO 63 N 5.97 0.91 -0.34 0.24 0.13 -1.97 0.28 132.00 137.22 1qip h PRO 63 Ca 0.07 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.98 1qip h PRO 63 Cb 0.84 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1qip h PRO 63 CO 0.63 0.61 -0.42 0.82 -0.23 0.00 0.00 178.00 179.41 1qip h ILE 64 N 0.94 1.28 -0.01 -3.56 2.04 -1.95 -3.08 117.51 113.17 1qip h ILE 64 Ca 0.32 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1qip h ILE 64 Cb 0.08 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1qip h ILE 64 CO -0.10 0.53 -0.14 0.23 0.00 0.00 0.00 178.15 178.67 1qip n MET 65 N -4.08 1.07 -3.36 2.37 2.81 -1.10 -4.98 117.12 109.84 1qip n MET 65 Ca -0.03 -0.57 -0.18 0.00 -1.81 0.00 0.00 57.70 55.11 1qip n MET 65 Cb 0.56 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.65 1qip n MET 65 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1qip n LYS 66 N -0.47 -3.22 -3.55 0.03 5.02 0.06 -4.93 118.16 111.10 1qip n LYS 66 Ca 0.15 0.80 -0.12 0.00 -2.02 0.00 0.00 58.31 57.12 1qip n LYS 66 Cb 0.33 -5.61 -0.04 0.00 -0.02 0.00 0.00 35.03 29.69 1qip n LYS 66 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1qip s PHE 67 N -3.41 -0.38 0.17 2.13 -0.71 -1.06 -1.53 117.98 113.19 1qip s PHE 67 Ca 0.34 0.22 0.08 0.00 -1.04 0.00 0.00 56.93 56.53 1qip s PHE 67 Cb -0.06 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 1qip s PHE 67 CO 0.76 -0.72 -0.16 -1.12 -1.34 0.00 0.00 175.22 172.63 1qip s SER 68 N -2.50 2.53 -0.06 1.98 0.01 -0.15 -0.60 113.70 114.92 1qip s SER 68 Ca -0.01 -0.90 0.05 0.00 1.31 0.00 0.00 55.95 56.41 1qip s SER 68 Cb 0.00 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 1qip s SER 68 CO -0.09 -0.09 -0.21 -0.76 0.41 0.00 0.00 173.24 172.50 1qip s LEU 69 N -2.82 2.00 -0.21 2.44 1.43 0.68 -0.87 118.68 121.34 1qip s LEU 69 Ca 0.16 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1qip s LEU 69 Cb -0.04 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 45.01 1qip s LEU 69 CO 0.06 0.19 -0.16 -0.31 0.23 0.00 0.00 176.35 176.36 1qip s TYR 70 N -0.01 2.94 -0.26 0.29 1.51 -0.07 -1.12 117.35 120.62 1qip s TYR 70 Ca -0.05 -1.80 -0.13 0.00 -1.01 0.00 0.00 57.07 54.07 1qip s TYR 70 Cb -0.13 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1qip s TYR 70 CO 0.04 -0.81 0.28 -0.06 -1.11 0.00 0.00 175.55 173.88 1qip s PHE 71 N 1.25 3.27 -0.01 2.71 0.40 0.20 -0.28 117.98 125.52 1qip s PHE 71 Ca 0.01 0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 1qip s PHE 71 Cb -0.15 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.89 1qip s PHE 71 CO -0.10 -0.13 -0.09 -0.51 0.70 0.00 0.00 175.22 175.09 1qip s LEU 72 N 1.70 3.04 0.17 -0.37 2.01 0.17 -0.44 118.68 124.97 1qip s LEU 72 Ca 0.12 -0.17 -0.23 0.00 0.01 0.00 0.00 54.13 53.85 1qip s LEU 72 Cb -0.15 -1.73 0.06 0.00 0.01 0.00 0.00 46.19 44.38 1qip s LEU 72 CO 0.09 0.30 0.68 0.00 1.01 0.00 0.00 176.35 178.43 1qip s ALA 73 N -0.93 -1.53 -0.97 4.21 0.00 -0.57 -0.51 121.76 121.45 1qip s ALA 73 Ca 0.15 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 1qip s ALA 73 Cb -0.11 0.81 0.16 0.00 0.00 0.00 0.00 23.12 23.99 1qip s ALA 73 CO 0.06 -0.84 1.12 0.71 0.00 0.00 0.00 175.76 176.81 1qip s TYR 74 N -3.70 3.36 0.06 0.00 2.02 -1.26 -0.34 117.35 117.49 1qip s TYR 74 Ca 0.05 -1.70 0.02 0.00 -0.37 0.00 0.00 57.07 55.06 1qip s TYR 74 Cb -0.02 -4.19 -0.03 0.00 -0.40 0.00 0.00 41.96 37.32 1qip s TYR 74 CO -0.07 -1.36 -0.07 -1.21 -1.57 0.00 0.00 175.55 171.28 1qip s GLU 75 N 1.85 0.62 0.02 -0.62 0.41 -1.26 -5.03 118.70 114.68 1qip s GLU 75 Ca 0.32 -0.97 -0.30 0.00 -0.41 0.00 0.00 54.97 53.61 1qip s GLU 75 Cb -0.06 -0.19 -0.04 0.00 -1.78 0.00 0.00 34.13 32.06 1qip s GLU 75 CO -0.08 0.01 1.11 0.34 -0.49 0.00 0.00 175.26 176.15 1qip s ASP 76 N -2.15 7.19 0.56 -0.19 -1.08 -1.26 -4.64 116.67 115.10 1qip s ASP 76 Ca -0.02 1.83 0.24 0.00 -0.52 0.00 0.00 52.55 54.09 1qip s ASP 76 Cb -0.04 -2.57 1.54 0.00 -1.46 0.00 0.00 42.92 40.39 1qip s ASP 76 CO -0.02 -0.40 2.15 0.50 0.52 0.00 0.00 175.17 177.91 1qip h LYS 77 N 6.89 0.00 0.00 4.34 3.64 -1.98 -0.81 116.57 128.64 1qip h LYS 77 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1qip h LYS 77 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1qip h LYS 77 CO 0.80 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 178.07 1qip n ASN 78 N -4.14 0.00 -0.22 4.20 3.02 -1.26 -2.50 115.26 114.37 1qip n ASN 78 Ca -0.00 0.38 0.12 0.00 -0.03 0.00 0.00 54.58 55.05 1qip n ASN 78 Cb 0.21 -0.45 0.25 0.00 -0.61 0.00 0.00 39.78 39.18 1qip n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qip n ASP 79 N -1.45 1.09 -4.66 6.41 8.00 -0.31 -4.85 116.55 120.77 1qip n ASP 79 Ca 0.06 -0.87 -0.43 0.00 0.71 0.00 0.00 54.79 54.26 1qip n ASP 79 Cb 0.21 0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1qip n ASP 79 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qip s ILE 80 N -2.64 4.10 0.72 0.53 1.01 -1.04 -4.97 121.20 118.90 1qip s ILE 80 Ca 0.19 1.32 -0.16 0.00 0.00 0.00 0.00 60.65 62.00 1qip s ILE 80 Cb 0.18 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1qip s ILE 80 CO 0.59 -0.14 1.23 -2.65 0.00 0.00 0.00 174.94 173.97 1qip n PRO 81 N 6.81 0.70 0.08 2.79 -0.02 -1.26 -4.97 135.00 139.12 1qip n PRO 81 Ca 0.15 0.30 -0.22 0.00 -2.02 0.00 0.00 63.50 61.71 1qip n PRO 81 Cb 0.44 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1qip n PRO 81 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1qip h LYS 82 N -0.10 0.38 -6.88 -0.52 1.57 -1.96 -3.42 116.57 105.64 1qip h LYS 82 Ca -0.49 -0.64 -0.51 0.00 -1.87 0.00 0.00 60.65 57.13 1qip h LYS 82 Cb 1.32 0.24 0.05 0.00 0.08 0.00 0.00 32.23 33.92 1qip h LYS 82 CO 0.50 1.31 0.56 -1.21 -0.57 0.00 0.00 179.45 180.04 1qip s GLU 83 N -2.50 4.35 0.10 3.15 2.02 -1.26 -4.91 118.70 119.65 1qip s GLU 83 Ca -0.13 2.01 -0.29 0.00 0.02 0.00 0.00 54.97 56.58 1qip s GLU 83 Cb 0.03 -3.00 -0.11 0.00 0.10 0.00 0.00 34.13 31.15 1qip s GLU 83 CO 0.86 -0.12 1.63 -0.22 0.02 0.00 0.00 175.26 177.43 1qip h LYS 84 N 3.30 -0.55 -0.19 1.61 1.63 -1.99 0.54 116.57 120.92 1qip h LYS 84 Ca -0.48 0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.22 1qip h LYS 84 Cb 1.22 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 1qip h LYS 84 CO 0.65 -0.37 -0.45 -0.44 -3.45 0.00 0.00 179.45 175.39 1qip h ASP 85 N -0.57 0.52 -0.48 4.20 3.32 -1.99 -1.73 116.42 119.69 1qip h ASP 85 Ca 0.01 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 1qip h ASP 85 Cb 0.55 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1qip h ASP 85 CO -0.11 0.90 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.15 1qip h GLU 86 N 0.39 0.95 -0.46 3.56 4.81 -1.94 -2.14 114.58 119.75 1qip h GLU 86 Ca 0.03 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1qip h GLU 86 Cb 0.95 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1qip h GLU 86 CO 0.08 0.98 0.25 -0.22 -0.73 0.00 0.00 179.01 179.38 1qip h LYS 87 N 0.85 0.64 0.04 1.92 3.64 -0.58 -1.05 116.57 122.03 1qip h LYS 87 Ca 0.14 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1qip h LYS 87 Cb 0.62 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1qip h LYS 87 CO 0.04 0.50 -0.02 0.82 -2.27 0.00 0.00 179.45 178.52 1qip h ILE 88 N 0.60 0.97 -0.36 2.00 2.04 -1.19 0.45 117.51 122.02 1qip h ILE 88 Ca 0.16 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 1qip h ILE 88 Cb 0.04 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1qip h ILE 88 CO -0.03 0.01 0.09 0.00 0.00 0.00 0.00 178.15 178.22 1qip h ALA 89 N 0.89 1.49 -0.04 1.87 0.00 -1.23 -1.08 119.26 121.17 1qip h ALA 89 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1qip h ALA 89 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1qip h ALA 89 CO 0.01 0.38 -0.09 2.35 0.00 0.00 0.00 179.25 181.90 1qip h TRP 90 N 0.51 0.16 -0.45 0.00 7.01 -0.94 -2.83 115.95 119.42 1qip h TRP 90 Ca 0.12 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1qip h TRP 90 Cb 0.19 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1qip h TRP 90 CO 0.01 0.70 0.27 0.00 -2.79 0.00 0.00 178.44 176.62 1qip h ALA 91 N 0.44 0.57 0.00 2.65 0.00 -0.71 -2.38 119.26 119.83 1qip h ALA 91 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qip h ALA 91 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qip h ALA 91 CO 0.02 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1qip n LEU 92 N -4.74 0.00 -0.51 0.00 4.77 -0.42 -2.67 117.00 113.42 1qip n LEU 92 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.05 1qip n LEU 92 Cb 0.05 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1qip n LEU 92 CO 0.35 0.00 0.51 -1.54 -1.33 0.00 0.00 177.39 175.39 1qip n SER 93 N -0.96 2.35 -4.75 -1.43 3.41 -0.91 -4.98 113.62 106.34 1qip n SER 93 Ca 0.21 -1.70 -0.40 0.00 -0.26 0.00 0.00 58.87 56.71 1qip n SER 93 Cb 0.10 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1qip n SER 93 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qip s ARG 94 N -0.94 4.76 0.62 4.33 1.81 -1.09 -5.04 118.95 123.40 1qip s ARG 94 Ca 0.17 1.62 -0.14 0.00 -1.72 0.00 0.00 55.73 55.66 1qip s ARG 94 Cb 0.10 -3.25 -0.03 0.00 -0.45 0.00 0.00 34.95 31.33 1qip s ARG 94 CO 0.14 0.37 1.05 0.15 -0.68 0.00 0.00 175.30 176.33 1qip s LYS 95 N -1.22 3.29 -1.24 3.54 1.02 -1.26 -4.41 119.74 119.46 1qip s LYS 95 Ca 0.43 1.06 -0.04 0.00 0.02 0.00 0.00 55.97 57.45 1qip s LYS 95 Cb -0.28 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1qip s LYS 95 CO 0.36 -0.82 0.77 0.00 -0.92 0.00 0.00 175.35 174.74 1qip n ALA 96 N -2.37 -2.16 -2.90 5.17 0.00 -1.06 -4.93 120.51 112.26 1qip n ALA 96 Ca 0.08 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1qip n ALA 96 Cb 0.53 -2.82 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 1qip n ALA 96 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qip s THR 97 N -3.57 4.95 -0.18 0.00 -4.23 -0.23 -4.62 115.64 107.76 1qip s THR 97 Ca 0.13 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 1qip s THR 97 Cb -0.03 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 1qip s THR 97 CO 0.80 -0.26 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.35 1qip s LEU 98 N -3.67 3.01 -0.43 4.79 2.96 0.34 -1.76 118.68 123.92 1qip s LEU 98 Ca 0.33 -0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 53.84 1qip s LEU 98 Cb -0.09 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 44.91 1qip s LEU 98 CO 0.27 0.09 0.31 -0.70 -1.32 0.00 0.00 176.35 175.00 1qip s GLU 99 N 0.81 2.89 -0.23 1.98 2.12 0.08 -0.66 118.70 125.69 1qip s GLU 99 Ca -0.02 -1.22 -0.14 0.00 0.36 0.00 0.00 54.97 53.95 1qip s GLU 99 Cb -0.15 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 1qip s GLU 99 CO 0.02 -0.87 0.34 -0.51 -0.54 0.00 0.00 175.26 173.69 1qip s LEU 100 N 1.60 4.12 -0.24 2.70 1.43 0.62 -1.43 118.68 127.48 1qip s LEU 100 Ca 0.04 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1qip s LEU 100 Cb -0.22 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1qip s LEU 100 CO 0.07 -0.07 0.13 -0.89 0.23 0.00 0.00 176.35 175.81 1qip s THR 101 N 1.45 4.99 -0.33 5.49 2.01 -0.29 -0.89 115.64 128.07 1qip s THR 101 Ca 0.16 0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 1qip s THR 101 Cb -0.15 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.07 1qip s THR 101 CO 0.08 0.34 0.10 -2.28 -0.69 0.00 0.00 174.62 172.17 1qip s HIS 102 N 1.23 3.23 -0.32 4.92 5.04 -0.05 -0.96 115.29 128.38 1qip s HIS 102 Ca 0.06 -1.34 -0.26 0.00 -1.54 0.00 0.00 55.06 51.98 1qip s HIS 102 Cb -0.14 -2.27 0.01 0.00 0.04 0.00 0.00 32.58 30.22 1qip s HIS 102 CO 0.05 -0.70 0.91 -0.80 -2.34 0.00 0.00 174.74 171.86 1qip s ASN 103 N 1.42 6.75 0.31 9.88 0.01 -1.26 -0.98 114.94 131.07 1qip s ASN 103 Ca -0.01 0.76 -0.28 0.00 -0.71 0.00 0.00 52.86 52.62 1qip s ASN 103 Cb -0.19 -2.46 -0.13 0.00 0.41 0.00 0.00 41.25 38.88 1qip s ASN 103 CO 0.03 -0.75 1.16 0.79 -1.51 0.00 0.00 177.10 176.81 1qip n TRP 104 N 6.54 1.77 0.00 2.20 8.01 -0.58 -2.73 117.44 132.65 1qip n TRP 104 Ca 0.07 0.62 0.00 0.00 -1.31 0.00 0.00 57.50 56.89 1qip n TRP 104 Cb 0.48 -2.33 0.00 0.00 -2.01 0.00 0.00 31.31 27.44 1qip n TRP 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qip n GLY 105 N 1.06 1.50 0.23 6.99 0.00 -1.26 -4.95 105.19 108.76 1qip n GLY 105 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 1qip n GLY 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qip h THR 106 N 0.00 1.14 0.00 2.61 1.35 -1.75 -2.36 112.91 113.90 1qip h THR 106 Ca 0.00 -0.63 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 1qip h THR 106 Cb 0.00 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1qip h THR 106 CO 0.00 0.19 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.05 1qip h GLU 107 N 0.09 0.00 0.00 4.72 3.07 -1.83 -2.45 114.58 118.18 1qip h GLU 107 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1qip h GLU 107 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1qip h GLU 107 CO 0.02 0.08 -0.49 -0.44 -1.40 0.00 0.00 179.01 176.78 1qip h ASP 108 N 0.00 0.00 -2.91 1.42 3.32 -1.78 -3.44 116.42 113.03 1qip h ASP 108 Ca -0.00 -0.09 -0.67 0.00 0.02 0.00 0.00 57.03 56.29 1qip h ASP 108 Cb 0.19 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.57 1qip h ASP 108 CO 0.01 0.04 0.29 -0.62 -1.72 0.00 0.00 179.24 177.24 1qip s ASP 109 N -4.88 6.20 0.58 6.45 -1.08 -0.92 -4.90 116.67 118.12 1qip s ASP 109 Ca 0.06 -1.08 0.28 0.00 -0.52 0.00 0.00 52.55 51.28 1qip s ASP 109 Cb 0.11 -2.35 1.68 0.00 -1.46 0.00 0.00 42.92 40.90 1qip s ASP 109 CO 0.70 -1.19 2.18 -0.33 0.52 0.00 0.00 175.17 177.05 1qip h GLU 110 N 9.29 0.00 -0.05 4.34 3.07 -1.85 -0.93 114.58 128.45 1qip h GLU 110 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1qip h GLU 110 Cb 1.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1qip h GLU 110 CO 1.10 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.96 1qip n THR 111 N -3.93 0.05 -4.06 1.13 -2.24 -1.26 -4.92 114.28 99.05 1qip n THR 111 Ca -0.01 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1qip n THR 111 Cb 0.19 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 1qip n THR 111 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1qip s GLN 112 N -1.95 3.19 -0.06 -0.78 -0.44 -0.35 -5.10 119.66 114.16 1qip s GLN 112 Ca 0.35 -0.38 -0.30 0.00 -2.50 0.00 0.00 55.36 52.53 1qip s GLN 112 Cb 0.20 -2.95 0.09 0.00 -1.64 0.00 0.00 33.01 28.71 1qip s GLN 112 CO 0.32 0.68 0.77 -1.54 0.50 0.00 0.00 175.29 176.02 1qip s SER 113 N -1.53 -0.56 0.38 6.67 1.04 -1.26 -4.99 113.70 113.45 1qip s SER 113 Ca 0.21 0.55 -0.05 0.00 0.48 0.00 0.00 55.95 57.14 1qip s SER 113 Cb -0.12 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 1qip s SER 113 CO 0.11 -0.56 0.66 -0.31 0.98 0.00 0.00 173.24 174.12 1qip s TYR 114 N -1.44 3.51 -0.17 5.02 2.02 -1.26 -5.08 117.35 119.94 1qip s TYR 114 Ca -0.07 0.72 -0.13 0.00 -0.37 0.00 0.00 57.07 57.22 1qip s TYR 114 Cb -0.00 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.32 1qip s TYR 114 CO 0.05 -0.02 0.26 -1.58 -1.57 0.00 0.00 175.55 172.69 1qip s HIS 115 N -2.37 3.45 -1.79 2.71 5.65 -1.26 -4.97 115.29 116.70 1qip s HIS 115 Ca 0.46 0.54 0.29 0.00 0.25 0.00 0.00 55.06 56.60 1qip s HIS 115 Cb -0.10 -2.31 1.34 0.00 -1.18 0.00 0.00 32.58 30.32 1qip s HIS 115 CO 0.36 0.24 1.92 0.27 -0.65 0.00 0.00 174.74 176.87 1qip n ASN 116 N 3.60 0.48 0.00 9.88 0.23 -1.26 -4.93 115.26 123.27 1qip n ASN 116 Ca -0.13 -0.73 0.00 0.00 -0.53 0.00 0.00 54.58 53.20 1qip n ASN 116 Cb 0.52 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1qip n ASN 116 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qip n GLY 117 N 1.22 0.84 0.89 4.83 0.00 -1.26 -4.64 105.19 107.08 1qip n GLY 117 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1qip n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qip n ASN 118 N 0.00 3.11 -4.23 1.61 3.02 -1.26 -2.79 115.26 114.71 1qip n ASN 118 Ca 0.00 -1.91 -0.13 0.00 -0.03 0.00 0.00 54.58 52.51 1qip n ASN 118 Cb 0.00 -0.24 -0.10 0.00 -0.61 0.00 0.00 39.78 38.83 1qip n ASN 118 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qip s SER 119 N -1.15 1.45 0.29 6.41 1.04 -1.26 -5.01 113.70 115.48 1qip s SER 119 Ca 0.31 -1.08 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 1qip s SER 119 Cb 0.17 0.06 -0.11 0.00 0.10 0.00 0.00 66.02 66.24 1qip s SER 119 CO 0.23 -0.45 1.61 -1.81 0.98 0.00 0.00 173.24 173.80 1qip s ASP 120 N -3.15 6.35 0.02 7.02 1.01 -1.26 -3.08 116.67 123.59 1qip s ASP 120 Ca 0.19 2.96 -0.24 0.00 0.71 0.00 0.00 52.55 56.17 1qip s ASP 120 Cb 0.05 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1qip s ASP 120 CO 0.01 -0.93 0.73 -2.16 0.21 0.00 0.00 175.17 173.03 1qip s PRO 121 N -0.45 4.45 0.41 8.23 0.04 -1.26 -5.10 135.00 141.33 1qip s PRO 121 Ca 0.64 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1qip s PRO 121 Cb -0.48 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 1qip s PRO 121 CO 0.48 0.27 0.66 1.03 0.04 0.00 0.00 177.00 179.48 1qip s ARG 122 N 0.03 3.47 0.00 4.56 0.52 -1.18 -4.65 118.95 121.70 1qip s ARG 122 Ca 0.37 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1qip s ARG 122 Cb -0.20 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1qip s ARG 122 CO 0.21 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1qip n GLY 123 N -2.02 -1.30 3.59 -3.53 0.00 -1.12 -5.05 105.19 95.76 1qip n GLY 123 Ca -0.02 0.71 -0.39 0.00 0.00 0.00 0.00 46.02 46.32 1qip n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qip n PHE 124 N 0.00 0.70 -0.02 1.61 7.35 -1.26 -4.95 117.46 120.89 1qip n PHE 124 Ca 0.00 0.48 -0.06 0.00 -0.76 0.00 0.00 57.45 57.11 1qip n PHE 124 Cb 0.00 -2.14 -0.02 0.00 0.35 0.00 0.00 39.48 37.67 1qip n PHE 124 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qip n GLY 125 N 1.33 -0.12 3.64 7.13 0.00 -1.26 -4.31 105.19 111.60 1qip n GLY 125 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1qip n GLY 125 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qip s HIS 126 N -2.14 -0.15 0.33 1.61 -3.43 -1.26 -4.38 115.29 105.88 1qip s HIS 126 Ca -0.09 -0.02 0.07 0.00 -0.80 0.00 0.00 55.06 54.22 1qip s HIS 126 Cb 0.03 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.72 1qip s HIS 126 CO 0.11 -0.51 0.29 0.96 -2.00 0.00 0.00 174.74 173.59 1qip s ILE 127 N -2.86 3.57 0.00 -5.38 -4.36 -0.96 -4.97 121.20 106.25 1qip s ILE 127 Ca 0.11 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1qip s ILE 127 Cb 0.01 -3.19 -0.00 0.00 1.25 0.00 0.00 42.46 40.52 1qip s ILE 127 CO -0.03 -0.18 -0.01 -0.83 0.24 0.00 0.00 174.94 174.13 1qip s GLY 128 N -3.98 0.07 -0.14 6.27 0.00 -1.26 -0.51 107.32 107.77 1qip s GLY 128 Ca 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.99 1qip s GLY 128 CO 0.26 -0.14 -0.12 -0.42 0.00 0.00 0.00 173.10 172.68 1qip s ILE 129 N -0.27 3.04 -0.06 0.90 -1.09 0.20 -4.92 121.20 119.01 1qip s ILE 129 Ca -0.03 -0.66 -0.22 0.00 -2.23 0.00 0.00 60.65 57.52 1qip s ILE 129 Cb -0.02 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1qip s ILE 129 CO -0.00 0.51 0.63 0.00 -1.23 0.00 0.00 174.94 174.85 1qip s ALA 130 N 0.50 3.40 0.20 9.38 0.00 -1.26 -1.72 121.76 132.26 1qip s ALA 130 Ca -0.09 0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1qip s ALA 130 Cb -0.16 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1qip s ALA 130 CO 0.04 -0.01 -0.11 0.14 0.00 0.00 0.00 175.76 175.82 1qip s VAL 131 N 0.49 1.51 0.21 0.00 -7.23 0.08 -4.94 120.40 110.52 1qip s VAL 131 Ca 0.34 -2.15 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 1qip s VAL 131 Cb -0.17 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1qip s VAL 131 CO 0.16 -0.60 1.57 -0.65 -0.31 0.00 0.00 175.10 175.28 1qip h PRO 132 N 2.59 0.65 -2.46 4.82 0.11 -1.98 -3.38 132.00 132.36 1qip h PRO 132 Ca -0.38 -0.33 -0.31 0.00 0.11 0.00 0.00 66.00 65.09 1qip h PRO 132 Cb 1.21 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.97 1qip h PRO 132 CO 0.63 0.93 -0.62 0.34 -0.21 0.00 0.00 178.00 179.07 1qip s ASP 133 N -6.84 1.32 0.27 -2.05 -1.08 -1.26 -4.96 116.67 102.07 1qip s ASP 133 Ca -0.08 -0.22 -0.04 0.00 -0.52 0.00 0.00 52.55 51.69 1qip s ASP 133 Cb 0.12 0.43 0.34 0.00 -1.46 0.00 0.00 42.92 42.36 1qip s ASP 133 CO 0.84 -0.33 1.95 0.58 0.52 0.00 0.00 175.17 178.73 1qip h VAL 134 N 6.30 1.24 -0.45 1.11 2.07 -1.88 -1.68 116.25 122.96 1qip h VAL 134 Ca -0.17 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1qip h VAL 134 Cb 1.15 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1qip h VAL 134 CO 0.28 0.23 0.03 1.88 0.02 0.00 0.00 177.57 180.01 1qip h TYR 135 N 1.26 0.83 -0.01 1.57 0.05 -1.96 -1.33 116.97 117.38 1qip h TYR 135 Ca 0.34 -0.14 -0.16 0.00 0.05 0.00 0.00 58.73 58.82 1qip h TYR 135 Cb -0.15 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.35 1qip h TYR 135 CO 0.00 0.81 -0.74 0.66 -1.05 0.00 0.00 178.16 177.84 1qip h SER 136 N 0.62 0.11 -0.43 3.88 4.64 -1.96 -1.16 113.55 119.26 1qip h SER 136 Ca 0.13 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1qip h SER 136 Cb 0.46 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1qip h SER 136 CO 0.02 0.80 0.05 0.00 -0.87 0.00 0.00 176.83 176.83 1qip h ALA 137 N 1.19 0.57 0.00 5.18 0.00 -1.20 -2.59 119.26 122.41 1qip h ALA 137 Ca -0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1qip h ALA 137 Cb 1.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1qip h ALA 137 CO 0.10 0.30 -0.56 0.00 0.00 0.00 0.00 179.25 179.09 1qip h LYS 139 N 0.00 0.82 -0.40 0.00 3.11 -1.06 0.16 116.57 119.20 1qip h LYS 139 Ca -0.01 -0.15 -0.05 0.00 -2.81 0.00 0.00 60.65 57.64 1qip h LYS 139 Cb 1.10 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 32.18 1qip h LYS 139 CO 0.07 0.72 0.06 -0.09 -2.81 0.00 0.00 179.45 177.39 1qip h ARG 140 N 0.75 0.67 -0.90 1.90 2.43 -1.19 -1.63 114.38 116.41 1qip h ARG 140 Ca 0.18 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1qip h ARG 140 Cb 0.20 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 1qip h ARG 140 CO -0.02 0.72 0.58 0.74 -1.51 0.00 0.00 179.97 180.49 1qip h PHE 141 N 0.51 1.09 -0.63 2.20 0.04 -0.80 -1.03 116.94 118.32 1qip h PHE 141 Ca 0.12 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.93 1qip h PHE 141 Cb 0.38 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1qip h PHE 141 CO 0.03 0.61 0.41 0.93 -0.60 0.00 0.00 178.31 179.69 1qip h GLU 142 N 1.11 0.80 -0.19 1.51 5.08 -0.36 -1.51 114.58 121.03 1qip h GLU 142 Ca 0.37 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1qip h GLU 142 Cb 0.04 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1qip h GLU 142 CO -0.13 0.53 0.01 0.93 -1.00 0.00 0.00 179.01 179.35 1qip h GLU 143 N 0.83 0.27 -0.03 2.33 5.08 -0.52 -1.27 114.58 121.27 1qip h GLU 143 Ca 0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1qip h GLU 143 Cb -0.07 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1qip h GLU 143 CO -0.06 0.30 0.00 1.28 -1.00 0.00 0.00 179.01 179.52 1qip n LEU 144 N -4.38 0.86 -0.41 1.33 4.77 -0.46 -4.93 117.00 113.77 1qip n LEU 144 Ca -0.00 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 1qip n LEU 144 Cb 0.17 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1qip n LEU 144 CO 0.36 0.15 -0.05 0.61 -1.33 0.00 0.00 177.39 177.14 1qip n GLY 145 N 1.07 0.51 3.77 -0.72 0.00 -0.48 -5.02 105.19 104.33 1qip n GLY 145 Ca 0.20 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1qip n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qip s VAL 146 N -2.19 2.60 0.04 1.61 1.01 -0.62 -4.99 120.40 117.86 1qip s VAL 146 Ca 0.00 0.58 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 1qip s VAL 146 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1qip s VAL 146 CO 0.00 0.12 0.84 -0.75 0.00 0.00 0.00 175.10 175.31 1qip s LYS 147 N -2.00 4.55 -0.07 2.72 2.20 -1.26 -4.77 119.74 121.11 1qip s LYS 147 Ca 0.52 1.20 0.01 0.00 -0.36 0.00 0.00 55.97 57.35 1qip s LYS 147 Cb -0.40 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 1qip s LYS 147 CO 0.53 0.19 -0.09 -0.06 -0.36 0.00 0.00 175.35 175.56 1qip s PHE 148 N 0.20 2.86 -0.10 4.03 0.40 -1.26 -1.16 117.98 122.96 1qip s PHE 148 Ca 0.43 -0.08 -0.17 0.00 -0.60 0.00 0.00 56.93 56.51 1qip s PHE 148 Cb -0.21 -1.70 -0.27 0.00 0.51 0.00 0.00 43.02 41.34 1qip s PHE 148 CO 0.25 0.24 0.58 0.28 0.70 0.00 0.00 175.22 177.28 1qip h VAL 149 N 4.38 1.09 -2.94 -0.44 2.07 -1.05 -3.47 116.25 115.90 1qip h VAL 149 Ca -0.46 -2.41 -0.32 0.00 0.82 0.00 0.00 66.70 64.33 1qip h VAL 149 Cb 1.17 2.76 -0.37 0.00 -1.52 0.00 0.00 31.29 33.34 1qip h VAL 149 CO 0.52 0.69 -0.65 -0.75 0.02 0.00 0.00 177.57 177.40 1qip s LYS 150 N -2.46 0.08 0.73 1.57 2.20 -0.58 -4.95 119.74 116.33 1qip s LYS 150 Ca -0.19 0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 55.68 1qip s LYS 150 Cb 0.04 -0.73 0.03 0.00 -1.51 0.00 0.00 37.83 35.66 1qip s LYS 150 CO 0.76 -0.45 1.09 0.15 -0.36 0.00 0.00 175.35 176.55 1qip s LYS 151 N 2.28 2.62 0.24 4.03 1.02 -1.26 -1.16 119.74 127.51 1qip s LYS 151 Ca 0.04 0.61 -0.05 0.00 0.02 0.00 0.00 55.97 56.58 1qip s LYS 151 Cb -0.14 -1.98 0.45 0.00 -0.52 0.00 0.00 37.83 35.64 1qip s LYS 151 CO -0.08 -1.24 1.68 -1.35 -0.92 0.00 0.00 175.35 173.45 1qip h PRO 152 N -0.81 0.25 -0.68 -1.68 0.11 -1.93 -1.21 132.00 126.04 1qip h PRO 152 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qip h PRO 152 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qip h PRO 152 CO 0.61 0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 1qip n ASP 153 N -5.17 4.66 -4.75 -2.05 8.00 -1.26 -0.24 116.55 115.73 1qip n ASP 153 Ca 0.14 -2.35 -0.40 0.00 0.71 0.00 0.00 54.79 52.88 1qip n ASP 153 Cb 0.45 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 40.94 1qip n ASP 153 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qip s ASP 154 N -0.92 7.34 0.50 -2.24 1.01 -0.46 -4.89 116.67 117.01 1qip s ASP 154 Ca 0.52 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.93 1qip s ASP 154 Cb 0.32 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1qip s ASP 154 CO 0.27 -0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.15 1qip n GLY 155 N 1.53 -0.25 0.06 0.21 0.00 -1.26 -4.47 105.19 101.01 1qip n GLY 155 Ca -0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1qip n GLY 155 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qip h LYS 156 N 0.00 0.01 -5.65 1.61 3.64 -1.95 -3.41 116.57 110.82 1qip h LYS 156 Ca 0.00 -0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.75 1qip h LYS 156 Cb 0.00 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.69 1qip h LYS 156 CO 0.00 0.52 0.53 -1.64 -2.27 0.00 0.00 179.45 176.59 1qip s MET 157 N -4.16 3.23 -0.07 1.90 -1.94 -1.26 -4.37 119.30 112.62 1qip s MET 157 Ca -0.16 -0.52 -0.30 0.00 -1.71 0.00 0.00 55.69 53.00 1qip s MET 157 Cb 0.02 -4.13 -0.02 0.00 2.01 0.00 0.00 34.83 32.71 1qip s MET 157 CO 0.68 -1.61 1.08 0.15 -0.01 0.00 0.00 175.02 175.30 1qip s LYS 158 N 3.95 4.41 0.00 2.03 -0.14 0.23 -3.51 119.74 126.71 1qip s LYS 158 Ca 0.26 1.50 0.00 0.00 -1.36 0.00 0.00 55.97 56.38 1qip s LYS 158 Cb -0.15 -3.53 0.00 0.00 -1.68 0.00 0.00 37.83 32.47 1qip s LYS 158 CO 0.15 -0.33 0.00 0.41 -0.76 0.00 0.00 175.35 174.82 1qip n GLY 159 N 3.17 1.00 3.04 -3.33 0.00 0.66 -4.59 105.19 105.14 1qip n GLY 159 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1qip n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qip s LEU 160 N 0.00 1.87 0.18 0.99 2.96 -1.15 -4.60 118.68 118.94 1qip s LEU 160 Ca 0.00 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1qip s LEU 160 Cb 0.00 -0.63 -0.05 0.00 0.50 0.00 0.00 46.19 46.02 1qip s LEU 160 CO 0.00 0.10 -0.10 0.00 -1.32 0.00 0.00 176.35 175.03 1qip s ALA 161 N 0.03 1.71 -0.09 5.97 0.00 -0.88 -3.88 121.76 124.63 1qip s ALA 161 Ca -0.01 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 1qip s ALA 161 Cb -0.08 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1qip s ALA 161 CO 0.00 -0.06 -0.02 -0.06 0.00 0.00 0.00 175.76 175.62 1qip s PHE 162 N -3.21 0.93 0.46 0.00 0.40 -0.31 -0.42 117.98 115.84 1qip s PHE 162 Ca 0.20 -0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.25 1qip s PHE 162 Cb 0.02 -0.94 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 1qip s PHE 162 CO 0.04 -0.39 0.34 0.96 0.70 0.00 0.00 175.22 176.87 1qip s ILE 163 N 1.89 2.19 0.03 0.64 -4.36 0.07 -0.46 121.20 121.20 1qip s ILE 163 Ca 0.05 -1.49 0.07 0.00 -0.26 0.00 0.00 60.65 59.02 1qip s ILE 163 Cb -0.12 -2.67 -0.02 0.00 1.25 0.00 0.00 42.46 40.89 1qip s ILE 163 CO -0.06 0.00 -0.21 -1.10 0.24 0.00 0.00 174.94 173.80 1qip s GLN 164 N -4.13 1.48 0.83 0.37 -0.21 -0.30 -0.82 119.66 116.88 1qip s GLN 164 Ca 0.41 -0.93 -0.10 0.00 0.02 0.00 0.00 55.36 54.77 1qip s GLN 164 Cb -0.01 -1.58 0.18 0.00 1.00 0.00 0.00 33.01 32.61 1qip s GLN 164 CO 0.24 0.41 1.13 -0.40 -2.12 0.00 0.00 175.29 174.55 1qip n ASP 165 N 1.96 0.57 0.30 5.90 5.75 -0.72 -4.44 116.55 125.87 1qip n ASP 165 Ca -0.17 -1.70 0.18 0.00 -0.01 0.00 0.00 54.79 53.09 1qip n ASP 165 Cb 0.53 -0.82 1.02 0.00 -1.03 0.00 0.00 41.12 40.82 1qip n ASP 165 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1qip h PRO 166 N 0.00 0.00 -0.01 0.11 0.11 -1.91 -0.32 132.00 129.98 1qip h PRO 166 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1qip h PRO 166 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qip h PRO 166 CO 0.31 0.00 -0.30 -0.25 -0.21 0.00 0.00 178.00 177.55 1qip n ASP 167 N -3.51 1.32 0.00 -2.05 9.92 -1.26 -4.95 116.55 116.02 1qip n ASP 167 Ca -0.02 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 1qip n ASP 167 Cb 0.12 0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1qip n ASP 167 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qip n GLY 168 N 1.35 0.76 3.77 0.44 0.00 -0.13 -4.77 105.19 106.61 1qip n GLY 168 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1qip n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qip s TYR 169 N -2.21 3.07 0.14 1.61 2.02 -1.26 -4.72 117.35 116.00 1qip s TYR 169 Ca 0.00 1.43 -0.24 0.00 -0.37 0.00 0.00 57.07 57.89 1qip s TYR 169 Cb 0.00 -3.65 -0.08 0.00 -0.40 0.00 0.00 41.96 37.83 1qip s TYR 169 CO 0.00 -1.78 0.75 -1.58 -1.57 0.00 0.00 175.55 171.36 1qip s TRP 170 N -1.15 3.88 -0.20 2.71 0.52 -1.26 -1.75 118.94 121.68 1qip s TRP 170 Ca 0.49 1.57 -0.00 0.00 0.02 0.00 0.00 56.10 58.17 1qip s TRP 170 Cb -0.39 -2.73 0.05 0.00 -1.15 0.00 0.00 33.47 29.24 1qip s TRP 170 CO 0.52 0.50 -0.05 0.42 0.02 0.00 0.00 176.95 178.36 1qip s ILE 171 N -1.02 1.25 0.30 2.03 1.01 0.00 -2.27 121.20 122.50 1qip s ILE 171 Ca 0.35 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 1qip s ILE 171 Cb -0.22 -1.48 -0.10 0.00 0.01 0.00 0.00 42.46 40.67 1qip s ILE 171 CO 0.25 0.02 1.17 -0.70 0.00 0.00 0.00 174.94 175.67 1qip s GLU 172 N 1.55 4.55 -0.28 2.79 2.12 0.34 -0.75 118.70 129.02 1qip s GLU 172 Ca -0.02 1.94 0.02 0.00 0.36 0.00 0.00 54.97 57.27 1qip s GLU 172 Cb -0.17 -3.15 0.06 0.00 0.26 0.00 0.00 34.13 31.13 1qip s GLU 172 CO -0.07 0.08 -0.06 0.42 -0.54 0.00 0.00 175.26 175.08 1qip s ILE 173 N -1.15 2.42 0.09 -3.70 -1.09 0.44 -0.62 121.20 117.58 1qip s ILE 173 Ca 0.46 -1.62 0.04 0.00 -2.23 0.00 0.00 60.65 57.30 1qip s ILE 173 Cb -0.35 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 1qip s ILE 173 CO 0.45 -0.10 -0.12 -1.48 -1.23 0.00 0.00 174.94 172.46 1qip s LEU 174 N 1.13 2.34 -0.29 2.97 0.05 -0.70 -2.07 118.68 122.11 1qip s LEU 174 Ca -0.06 -0.71 -0.04 0.00 0.05 0.00 0.00 54.13 53.36 1qip s LEU 174 Cb -0.20 -0.41 0.03 0.00 -2.05 0.00 0.00 46.19 43.56 1qip s LEU 174 CO -0.04 -0.17 0.03 0.21 -0.55 0.00 0.00 176.35 175.83 1qip s ASN 175 N -2.10 4.89 0.52 1.48 3.84 -1.26 -0.74 114.94 121.56 1qip s ASN 175 Ca 0.02 -0.94 0.26 0.00 0.21 0.00 0.00 52.86 52.40 1qip s ASN 175 Cb -0.07 -1.79 1.38 0.00 -0.55 0.00 0.00 41.25 40.23 1qip s ASN 175 CO 0.01 -0.21 1.96 -0.65 -2.79 0.00 0.00 177.10 175.42 1qip h PRO 176 N 8.12 0.05 -0.01 0.43 0.11 -1.95 -0.54 132.00 138.22 1qip h PRO 176 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1qip h PRO 176 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1qip h PRO 176 CO 0.58 0.03 -0.02 0.09 -0.21 0.00 0.00 178.00 178.47 1qip n ASN 177 N -4.36 0.53 -0.07 -2.05 3.02 -1.26 -3.51 115.26 107.55 1qip n ASN 177 Ca 0.13 -1.01 0.01 0.00 -0.03 0.00 0.00 54.58 53.68 1qip n ASN 177 Cb 0.69 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1qip n ASN 177 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qip n LYS 178 N -0.67 2.00 -0.20 3.52 4.76 -0.23 -4.72 118.16 122.62 1qip n LYS 178 Ca 0.20 -0.42 -0.05 0.00 -2.87 0.00 0.00 58.31 55.17 1qip n LYS 178 Cb 0.22 -0.89 0.12 0.00 -1.84 0.00 0.00 35.03 32.64 1qip n LYS 178 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1qip h MET 179 N 0.36 0.99 0.00 1.97 2.86 -1.55 -2.89 114.93 116.66 1qip h MET 179 Ca 0.00 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1qip h MET 179 Cb 0.10 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1qip h MET 179 CO 0.00 0.88 -0.08 0.00 1.06 0.00 0.00 176.91 178.77 1qip h ALA 180 N 1.22 1.60 -0.37 6.32 0.00 -1.85 -2.50 119.26 123.69 1qip h ALA 180 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qip h ALA 180 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qip h ALA 180 CO -0.00 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1qip n THR 181 N -4.06 2.41 -1.55 0.00 -2.24 -1.10 -5.01 114.28 102.73 1qip n THR 181 Ca -0.03 -1.70 -0.35 0.00 -2.27 0.00 0.00 64.05 59.71 1qip n THR 181 Cb 0.17 -0.24 0.08 0.00 -2.10 0.00 0.00 70.33 68.24 1qip n THR 181 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qip s LEU 182 N -2.75 3.39 0.00 3.22 1.43 -0.94 -5.00 118.68 118.03 1qip s LEU 182 Ca 0.46 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1qip s LEU 182 Cb 0.36 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.99 1qip s LEU 182 CO 0.12 -2.13 0.00 0.80 0.23 0.00 0.00 176.35 175.37