#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qib h VAL 11 N 0.00 1.14 -0.36 1.61 2.07 -2.05 0.87 116.25 119.53 2qib h VAL 11 Ca 0.00 -0.41 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 2qib h VAL 11 Cb 0.00 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2qib h VAL 11 CO 0.00 0.12 -0.29 -0.33 0.02 0.00 0.00 177.57 177.09 2qib h GLU 12 N 0.02 0.77 -0.31 1.57 4.39 -2.05 -0.28 114.58 118.69 2qib h GLU 12 Ca 0.03 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.40 2qib h GLU 12 Cb 0.16 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2qib h GLU 12 CO -0.00 0.96 0.17 1.49 -1.16 0.00 0.00 179.01 180.47 2qib h GLU 13 N 0.65 0.35 -0.51 2.33 4.81 -1.96 -1.41 114.58 118.84 2qib h GLU 13 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2qib h GLU 13 Cb 0.82 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2qib h GLU 13 CO 0.07 0.23 0.26 -0.09 -0.73 0.00 0.00 179.01 178.75 2qib h ARG 14 N 0.36 0.72 -0.23 1.92 9.65 -0.53 0.19 114.38 126.46 2qib h ARG 14 Ca 0.12 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 2qib h ARG 14 Cb 0.00 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 2qib h ARG 14 CO -0.06 0.58 0.09 -0.09 2.80 0.00 0.00 179.97 183.29 2qib h ARG 15 N 0.68 0.20 -0.31 0.20 2.43 -0.82 0.10 114.38 116.85 2qib h ARG 15 Ca 0.18 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2qib h ARG 15 Cb 0.08 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2qib h ARG 15 CO -0.03 0.13 -0.26 1.96 -1.51 0.00 0.00 179.97 180.27 2qib h GLN 16 N 0.20 0.62 -0.20 0.20 1.08 -0.98 -1.75 115.11 114.28 2qib h GLN 16 Ca 0.10 -0.25 0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2qib h GLN 16 Cb 0.06 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2qib h GLN 16 CO -0.10 0.82 0.07 0.37 -0.95 0.00 0.00 178.83 179.04 2qib h GLN 17 N 0.54 0.16 -0.66 1.46 4.15 -0.32 -1.60 115.11 118.84 2qib h GLN 17 Ca 0.07 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.50 2qib h GLN 17 Cb 0.72 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 2qib h GLN 17 CO 0.06 0.11 0.43 1.25 -1.93 0.00 0.00 178.83 178.74 2qib h LEU 18 N 0.16 0.73 -0.87 -2.39 5.85 -0.74 -0.65 115.31 117.41 2qib h LEU 18 Ca 0.09 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2qib h LEU 18 Cb 0.05 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2qib h LEU 18 CO -0.09 0.52 0.57 0.40 -0.34 0.00 0.00 178.44 179.50 2qib h ILE 19 N 0.86 1.21 -0.53 4.05 2.04 -1.15 -0.20 117.51 123.79 2qib h ILE 19 Ca 0.25 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2qib h ILE 19 Cb -0.07 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 35.94 2qib h ILE 19 CO -0.07 0.21 0.18 1.23 0.00 0.00 0.00 178.15 179.70 2qib h GLY 20 N 1.16 0.87 0.87 5.37 0.00 -0.73 0.11 103.07 110.72 2qib h GLY 20 Ca 0.32 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2qib h GLY 20 CO -0.08 0.47 0.06 -2.08 0.00 0.00 0.00 176.54 174.92 2qib h VAL 21 N 0.72 1.21 -0.43 4.60 2.07 -0.87 -0.29 116.25 123.26 2qib h VAL 21 Ca 0.17 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 67.04 2qib h VAL 21 Cb 0.26 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2qib h VAL 21 CO -0.01 0.22 0.21 0.00 0.02 0.00 0.00 177.57 178.01 2qib h ALA 22 N 0.88 0.54 -0.79 1.67 0.00 -0.86 -1.62 119.26 119.08 2qib h ALA 22 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qib h ALA 22 Cb 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2qib h ALA 22 CO 0.00 -0.15 0.51 1.25 0.00 0.00 0.00 179.25 180.86 2qib h LEU 23 N 0.42 0.93 -0.12 0.00 5.85 -0.58 0.91 115.31 122.72 2qib h LEU 23 Ca 0.19 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2qib h LEU 23 Cb 0.11 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2qib h LEU 23 CO -0.14 0.69 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.83 2qib h ASP 24 N 1.08 -0.14 -0.25 1.25 3.58 -0.54 0.27 116.42 121.66 2qib h ASP 24 Ca 0.29 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.69 2qib h ASP 24 Cb -0.09 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2qib h ASP 24 CO -0.06 -0.05 -0.20 -0.07 -2.88 0.00 0.00 179.24 175.98 2qib h LEU 25 N -0.01 0.61 -1.05 2.28 3.38 -1.02 -2.45 115.31 117.05 2qib h LEU 25 Ca 0.06 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2qib h LEU 25 Cb 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2qib h LEU 25 CO -0.14 0.93 0.00 -0.26 0.09 0.00 0.00 178.44 179.07 2qib h PHE 26 N 0.30 0.00 0.13 1.13 0.04 -0.77 -1.96 116.94 115.81 2qib h PHE 26 Ca 0.05 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.54 2qib h PHE 26 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2qib h PHE 26 CO 0.07 0.00 -1.25 0.77 -0.60 0.00 0.00 178.31 177.30 2qib h SER 27 N 0.00 0.42 1.30 2.17 0.02 -0.62 -3.28 113.55 113.57 2qib h SER 27 Ca 0.00 -0.46 -0.14 0.00 -0.84 0.00 0.00 61.79 60.35 2qib h SER 27 Cb 0.37 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2qib h SER 27 CO 0.00 1.36 -0.71 0.03 -1.14 0.00 0.00 176.83 176.37 2qib h ARG 28 N 0.07 0.00 -3.82 3.45 3.08 -0.91 -1.70 114.38 114.56 2qib h ARG 28 Ca -0.14 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 2qib h ARG 28 Cb 1.97 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.86 2qib h ARG 28 CO 0.20 0.64 -0.50 1.03 -1.07 0.00 0.00 179.97 180.28 2qib s ARG 29 N -2.88 0.65 0.63 0.04 0.52 -0.94 -4.69 118.95 112.28 2qib s ARG 29 Ca 0.03 -0.82 -0.19 0.00 -0.52 0.00 0.00 55.73 54.23 2qib s ARG 29 Cb 0.08 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 2qib s ARG 29 CO 0.77 -0.17 1.29 -1.13 0.02 0.00 0.00 175.30 176.08 2qib n SER 30 N 0.55 2.10 0.24 0.23 3.41 -1.26 -4.34 113.62 114.54 2qib n SER 30 Ca -0.18 0.85 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 2qib n SER 30 Cb 0.59 -1.55 0.57 0.00 -0.26 0.00 0.00 64.21 63.57 2qib n SER 30 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2qib h PRO 31 N 0.66 0.00 0.00 4.33 0.13 -1.93 -0.57 132.00 134.63 2qib h PRO 31 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2qib h PRO 31 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2qib h PRO 31 CO 0.53 0.20 0.00 0.38 -0.23 0.00 0.00 178.00 178.88 2qib h ASP 32 N 0.00 0.00 -0.55 1.44 2.03 -2.02 -2.53 116.42 114.80 2qib h ASP 32 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2qib h ASP 32 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2qib h ASP 32 CO 0.03 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.62 2qib n GLU 33 N -3.05 3.94 -4.39 4.15 1.02 -0.22 -4.88 120.64 117.22 2qib n GLU 33 Ca -0.02 -2.93 -0.30 0.00 -0.02 0.00 0.00 57.16 53.89 2qib n GLU 33 Cb 0.12 -1.97 -0.17 0.00 -0.02 0.00 0.00 31.44 29.40 2qib n GLU 33 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qib s VAL 34 N -2.25 1.69 0.29 2.62 1.01 -0.95 -4.95 120.40 117.84 2qib s VAL 34 Ca 0.49 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.82 2qib s VAL 34 Cb 0.35 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2qib s VAL 34 CO 0.19 0.48 0.04 -0.94 0.00 0.00 0.00 175.10 174.86 2qib s SER 35 N 1.08 4.61 0.21 3.32 1.04 -1.26 -4.99 113.70 117.71 2qib s SER 35 Ca -0.03 -0.67 -0.09 0.00 0.48 0.00 0.00 55.95 55.64 2qib s SER 35 Cb -0.14 -0.83 0.21 0.00 0.10 0.00 0.00 66.02 65.35 2qib s SER 35 CO -0.05 -0.08 1.85 0.40 0.98 0.00 0.00 173.24 176.35 2qib h ILE 36 N 1.79 1.09 -0.97 -1.02 1.08 -1.99 -1.71 117.51 115.78 2qib h ILE 36 Ca -0.44 -0.31 0.09 0.00 -0.39 0.00 0.00 64.86 63.81 2qib h ILE 36 Cb 1.25 0.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 2qib h ILE 36 CO 0.61 0.16 0.62 0.44 -0.69 0.00 0.00 178.15 179.30 2qib h ASP 37 N 0.90 0.94 -0.33 1.72 3.32 -1.95 0.17 116.42 121.18 2qib h ASP 37 Ca 0.30 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.22 2qib h ASP 37 Cb 0.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2qib h ASP 37 CO -0.12 0.56 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.26 2qib h GLU 38 N 1.04 0.88 -0.11 3.56 5.08 -1.79 -0.21 114.58 123.03 2qib h GLU 38 Ca 0.45 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2qib h GLU 38 Cb 0.33 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2qib h GLU 38 CO -0.20 1.10 0.04 0.82 -1.00 0.00 0.00 179.01 179.76 2qib h ILE 39 N 0.72 1.15 -0.22 3.13 2.04 -0.64 -0.71 117.51 122.98 2qib h ILE 39 Ca 0.06 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.50 2qib h ILE 39 Cb 0.95 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2qib h ILE 39 CO 0.09 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.38 2qib h ALA 40 N 0.88 0.20 -0.08 1.87 0.00 -0.62 0.27 119.26 121.77 2qib h ALA 40 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2qib h ALA 40 Cb 0.18 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2qib h ALA 40 CO -0.00 -0.42 -0.02 1.03 0.00 0.00 0.00 179.25 179.83 2qib h SER 41 N 0.07 -0.08 -0.75 0.00 0.87 -0.92 0.08 113.55 112.82 2qib h SER 41 Ca 0.11 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 2qib h SER 41 Cb 0.13 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 2qib h SER 41 CO -0.18 -0.03 0.50 0.00 -0.53 0.00 0.00 176.83 176.59 2qib h ALA 42 N 1.08 1.58 0.00 6.23 0.00 -0.88 -2.04 119.26 125.23 2qib h ALA 42 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qib h ALA 42 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2qib h ALA 42 CO -0.09 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2qib n ALA 43 N -2.43 2.24 -1.70 0.00 0.00 0.06 -4.93 120.51 113.75 2qib n ALA 43 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 2qib n ALA 43 Cb 0.14 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 2qib n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qib n GLY 44 N 1.23 0.37 3.48 0.00 0.00 -0.12 -5.05 105.19 105.11 2qib n GLY 44 Ca 0.06 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 2qib n GLY 44 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qib s ILE 45 N -2.07 0.89 0.57 -0.61 -4.36 -0.43 -5.03 121.20 110.16 2qib s ILE 45 Ca 0.00 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 2qib s ILE 45 Cb 0.00 -2.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.10 2qib s ILE 45 CO 0.00 0.00 0.97 -0.94 0.24 0.00 0.00 174.94 175.21 2qib s SER 46 N -3.54 6.31 0.13 4.36 1.04 -1.26 -4.12 113.70 116.61 2qib s SER 46 Ca 0.30 1.34 -0.22 0.00 0.48 0.00 0.00 55.95 57.85 2qib s SER 46 Cb 0.06 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 2qib s SER 46 CO 0.14 -0.76 1.66 -0.09 0.98 0.00 0.00 173.24 175.18 2qib h ARG 47 N 0.03 -0.20 -0.66 4.02 2.43 -1.93 -2.32 114.38 115.76 2qib h ARG 47 Ca -0.45 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.78 2qib h ARG 47 Cb 1.19 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 2qib h ARG 47 CO 0.62 -0.13 0.43 -1.35 -1.51 0.00 0.00 179.97 178.03 2qib h PRO 48 N -0.20 0.72 -0.14 0.20 0.11 -1.99 -2.20 132.00 128.49 2qib h PRO 48 Ca 0.10 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 2qib h PRO 48 Cb 0.35 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 2qib h PRO 48 CO -0.26 0.47 -0.07 1.25 -0.21 0.00 0.00 178.00 179.18 2qib h LEU 49 N 0.74 0.19 -0.62 2.35 5.85 -1.81 -1.22 115.31 120.80 2qib h LEU 49 Ca 0.27 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2qib h LEU 49 Cb 0.14 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2qib h LEU 49 CO -0.08 0.30 0.39 0.58 -0.34 0.00 0.00 178.44 179.29 2qib h VAL 50 N 0.20 1.17 0.00 1.05 2.07 -1.11 -2.13 116.25 117.50 2qib h VAL 50 Ca 0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2qib h VAL 50 Cb 0.27 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2qib h VAL 50 CO 0.01 0.17 0.00 -1.22 0.02 0.00 0.00 177.57 176.56 2qib n TYR 51 N -4.63 0.57 0.12 1.57 4.01 -0.52 -1.55 117.16 116.73 2qib n TYR 51 Ca 0.04 0.22 0.03 0.00 -0.16 0.00 0.00 57.90 58.04 2qib n TYR 51 Cb 0.04 -0.86 0.43 0.00 -0.31 0.00 0.00 39.34 38.64 2qib n TYR 51 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2qib h HIS 52 N 0.00 0.24 0.00 -0.72 2.76 -0.67 -3.31 115.15 113.45 2qib h HIS 52 Ca 0.00 -0.02 -0.36 0.00 -2.20 0.00 0.00 60.37 57.79 2qib h HIS 52 Cb 0.34 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.16 2qib h HIS 52 CO 0.00 0.32 -2.30 0.66 -1.30 0.00 0.00 177.93 175.30 2qib n TYR 53 N -4.33 0.17 -3.99 5.26 4.01 -0.60 -4.94 117.16 112.74 2qib n TYR 53 Ca -0.01 0.06 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 2qib n TYR 53 Cb 0.22 -1.03 -0.16 0.00 -0.31 0.00 0.00 39.34 38.06 2qib n TYR 53 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2qib s PHE 54 N -2.51 0.39 -1.03 -0.72 0.08 -0.87 -5.05 117.98 108.27 2qib s PHE 54 Ca -0.14 -0.04 0.21 0.00 0.12 0.00 0.00 56.93 57.08 2qib s PHE 54 Cb 0.07 -0.43 0.93 0.00 -0.57 0.00 0.00 43.02 43.01 2qib s PHE 54 CO 0.79 -0.13 1.69 -0.35 -0.10 0.00 0.00 175.22 177.12 2qib n PRO 55 N 3.99 0.02 -3.79 0.24 -0.04 -1.26 -4.02 135.00 130.14 2qib n PRO 55 Ca -0.25 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2qib n PRO 55 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2qib n PRO 55 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2qib s GLY 56 N -2.97 -0.15 0.22 0.55 0.00 -1.26 -5.04 107.32 98.67 2qib s GLY 56 Ca 0.11 0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.86 2qib s GLY 56 CO 0.39 1.57 1.86 1.70 0.00 0.00 0.00 173.10 178.61 2qib h LYS 57 N 2.00 0.92 -0.88 2.90 3.64 -2.00 -2.71 116.57 120.43 2qib h LYS 57 Ca -0.27 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 2qib h LYS 57 Cb 1.21 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 2qib h LYS 57 CO 0.30 0.61 0.51 1.25 -2.27 0.00 0.00 179.45 179.85 2qib h LEU 58 N 0.94 1.08 -0.94 5.20 5.85 -1.98 -0.26 115.31 125.20 2qib h LEU 58 Ca 0.32 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 2qib h LEU 58 Cb 0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2qib h LEU 58 CO -0.13 0.85 -0.25 0.77 -0.34 0.00 0.00 178.44 179.34 2qib h SER 59 N 1.22 0.48 -0.22 1.25 4.64 -1.89 0.22 113.55 119.25 2qib h SER 59 Ca 0.31 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.35 2qib h SER 59 Cb -0.01 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2qib h SER 59 CO -0.05 0.73 -0.33 0.25 -0.87 0.00 0.00 176.83 176.55 2qib h LEU 60 N 0.42 0.67 -0.59 5.97 5.85 -1.31 -1.01 115.31 125.32 2qib h LEU 60 Ca 0.06 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.30 2qib h LEU 60 Cb 0.66 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2qib h LEU 60 CO 0.05 1.06 0.33 0.22 -0.34 0.00 0.00 178.44 179.76 2qib h TYR 61 N 0.30 0.61 -0.80 1.25 3.20 -0.63 0.08 116.97 120.97 2qib h TYR 61 Ca 0.02 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2qib h TYR 61 Cb 0.92 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 2qib h TYR 61 CO 0.08 0.32 0.32 0.93 -1.64 0.00 0.00 178.16 178.17 2qib h GLU 62 N 0.64 1.20 -0.47 1.82 5.08 -0.42 -0.73 114.58 121.69 2qib h GLU 62 Ca 0.25 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2qib h GLU 62 Cb 0.10 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2qib h GLU 62 CO -0.14 0.97 0.09 0.00 -1.00 0.00 0.00 179.01 178.93 2qib h ALA 63 N 1.18 0.62 -0.48 3.43 0.00 -0.66 0.12 119.26 123.48 2qib h ALA 63 Ca 0.27 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qib h ALA 63 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qib h ALA 63 CO -0.02 0.33 0.31 0.00 0.00 0.00 0.00 179.25 179.88 2qib h ALA 64 N 0.96 0.60 -0.59 0.00 0.00 -0.82 -2.21 119.26 117.21 2qib h ALA 64 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2qib h ALA 64 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2qib h ALA 64 CO 0.01 0.05 0.11 1.25 0.00 0.00 0.00 179.25 180.66 2qib h LEU 65 N 0.64 0.89 -0.43 0.00 5.85 -0.73 -1.15 115.31 120.38 2qib h LEU 65 Ca 0.18 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2qib h LEU 65 Cb -0.07 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 2qib h LEU 65 CO -0.04 0.89 0.21 -0.61 -0.34 0.00 0.00 178.44 178.54 2qib h GLN 66 N 0.89 0.41 -0.29 1.25 5.75 -0.56 0.34 115.11 122.90 2qib h GLN 66 Ca 0.19 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2qib h GLN 66 Cb 0.37 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2qib h GLN 66 CO 0.01 0.27 0.18 -0.09 -2.65 0.00 0.00 178.83 176.55 2qib h ARG 67 N 0.42 0.39 -0.58 1.69 2.43 -0.97 -1.11 114.38 116.65 2qib h ARG 67 Ca 0.19 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2qib h ARG 67 Cb 0.10 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2qib h ARG 67 CO -0.14 0.30 0.29 0.00 -1.51 0.00 0.00 179.97 178.91 2qib h ALA 68 N 1.07 0.75 -0.49 2.80 0.00 -0.92 -1.40 119.26 121.07 2qib h ALA 68 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2qib h ALA 68 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2qib h ALA 68 CO -0.02 0.31 0.22 0.77 0.00 0.00 0.00 179.25 180.52 2qib h SER 69 N 0.79 0.66 -0.85 0.00 0.02 -0.23 -0.79 113.55 113.15 2qib h SER 69 Ca 0.20 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2qib h SER 69 Cb 0.10 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2qib h SER 69 CO -0.03 0.62 0.56 0.44 -1.14 0.00 0.00 176.83 177.29 2qib h ASP 70 N 0.65 0.97 0.61 3.07 3.32 -1.03 -0.78 116.42 123.23 2qib h ASP 70 Ca 0.17 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2qib h ASP 70 Cb 0.16 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2qib h ASP 70 CO -0.02 0.70 -0.33 -0.78 -1.72 0.00 0.00 179.24 177.10 2qib h ASP 71 N 1.15 -0.80 -0.26 6.45 3.58 -0.87 -1.70 116.42 123.97 2qib h ASP 71 Ca 0.31 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2qib h ASP 71 Cb -0.13 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2qib h ASP 71 CO -0.07 -0.53 0.16 0.25 -2.88 0.00 0.00 179.24 176.17 2qib h LEU 72 N -0.87 0.30 -0.91 2.28 5.85 -1.04 -1.23 115.31 119.70 2qib h LEU 72 Ca -0.08 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.74 2qib h LEU 72 Cb 0.68 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.55 2qib h LEU 72 CO 0.11 0.24 0.53 0.00 -0.34 0.00 0.00 178.44 178.98 2qib h ALA 73 N 1.08 1.37 -0.09 1.25 0.00 -1.12 -1.09 119.26 120.65 2qib h ALA 73 Ca 0.09 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2qib h ALA 73 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2qib h ALA 73 CO -0.02 0.08 -0.27 -0.44 0.00 0.00 0.00 179.25 178.60 2qib h ASP 74 N 0.82 0.17 0.58 0.00 3.32 -0.59 -2.18 116.42 118.53 2qib h ASP 74 Ca 0.47 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 2qib h ASP 74 Cb 0.53 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 2qib h ASP 74 CO -0.30 0.44 -0.01 0.03 -1.72 0.00 0.00 179.24 177.68 2qib h ARG 75 N 0.15 0.00 0.00 3.56 3.08 -0.04 -2.35 114.38 118.78 2qib h ARG 75 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2qib h ARG 75 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2qib h ARG 75 CO 0.04 0.01 0.00 1.19 -1.07 0.00 0.00 179.97 180.14 2qib n PHE 76 N -3.14 0.74 -2.69 3.04 3.72 -0.82 -4.79 117.46 113.51 2qib n PHE 76 Ca -0.01 0.26 -0.42 0.00 -0.05 0.00 0.00 57.45 57.23 2qib n PHE 76 Cb 0.21 -0.93 -0.03 0.00 -0.94 0.00 0.00 39.48 37.80 2qib n PHE 76 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2qib s VAL 77 N -3.21 4.80 -0.13 -4.37 1.01 -0.89 -4.97 120.40 112.64 2qib s VAL 77 Ca 0.07 2.05 -0.08 0.00 0.00 0.00 0.00 61.98 64.01 2qib s VAL 77 Cb 0.11 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 32.22 2qib s VAL 77 CO 0.45 0.03 0.31 -0.70 0.00 0.00 0.00 175.10 175.19 2qib s GLU 78 N 1.82 0.30 0.41 2.72 2.56 -1.26 -5.05 118.70 120.20 2qib s GLU 78 Ca 0.49 0.58 -0.26 0.00 0.00 0.00 0.00 54.97 55.78 2qib s GLU 78 Cb -0.19 -0.01 -0.10 0.00 2.00 0.00 0.00 34.13 35.83 2qib s GLU 78 CO 0.20 -0.13 1.29 -2.30 -0.56 0.00 0.00 175.26 173.75 2qib n PRO 79 N 3.88 2.00 -2.28 4.30 -0.02 -1.26 -4.88 135.00 136.74 2qib n PRO 79 Ca -0.21 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 2qib n PRO 79 Cb 0.55 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2qib n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qib n ARG 80 N 0.14 3.29 -3.84 -0.52 1.74 -1.26 -4.90 116.66 111.30 2qib n ARG 80 Ca 0.06 -3.26 -0.12 0.00 -0.77 0.00 0.00 57.85 53.76 2qib n ARG 80 Cb 0.39 -3.13 -0.13 0.00 -1.02 0.00 0.00 32.46 28.57 2qib n ARG 80 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qib s GLN 81 N 1.96 0.17 0.59 5.56 -1.52 -1.26 -5.13 119.66 120.03 2qib s GLN 81 Ca 0.44 0.08 0.00 0.00 -1.95 0.00 0.00 55.36 53.93 2qib s GLN 81 Cb 0.08 0.08 0.00 0.00 -0.22 0.00 0.00 33.01 32.95 2qib s GLN 81 CO -0.01 -0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.41 2qib n GLY 82 N 2.82 -1.93 3.73 3.09 0.00 -1.26 -4.82 105.19 106.82 2qib n GLY 82 Ca -0.14 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 2qib n GLY 82 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qib n PRO 83 N -1.90 2.15 -0.08 1.61 -0.02 -1.26 -4.90 135.00 130.60 2qib n PRO 83 Ca 0.00 0.76 -0.06 0.00 -2.02 0.00 0.00 63.50 62.19 2qib n PRO 83 Cb 0.19 -2.48 0.13 0.00 -0.02 0.00 0.00 33.50 31.31 2qib n PRO 83 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qib h LEU 84 N 2.33 0.74 -0.54 2.45 4.07 -1.88 -3.04 115.31 119.45 2qib h LEU 84 Ca -0.49 -0.23 0.04 0.00 0.08 0.00 0.00 57.88 57.28 2qib h LEU 84 Cb 1.28 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 2qib h LEU 84 CO 0.61 0.90 0.30 1.23 -1.08 0.00 0.00 178.44 180.40 2qib h GLY 85 N 0.97 0.77 1.40 0.83 0.00 -1.93 -1.32 103.07 103.79 2qib h GLY 85 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2qib h GLY 85 CO 0.04 0.15 0.18 0.00 0.00 0.00 0.00 176.54 176.91 2qib h ALA 86 N 1.27 1.33 0.02 3.60 0.00 -1.92 0.15 119.26 123.72 2qib h ALA 86 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qib h ALA 86 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qib h ALA 86 CO -0.14 0.49 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 2qib h ARG 87 N 0.75 -0.03 -0.94 0.00 3.08 -1.31 -1.69 114.38 114.24 2qib h ARG 87 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2qib h ARG 87 Cb 0.20 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2qib h ARG 87 CO -0.01 0.06 0.59 1.25 -1.07 0.00 0.00 179.97 180.79 2qib h LEU 88 N -0.11 1.11 -0.89 3.04 5.85 -0.83 -1.98 115.31 121.50 2qib h LEU 88 Ca -0.00 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2qib h LEU 88 Cb 0.10 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 2qib h LEU 88 CO 0.00 0.83 0.59 0.25 -0.34 0.00 0.00 178.44 179.77 2qib h LEU 89 N 1.29 1.00 -0.51 2.25 5.85 -0.80 -2.43 115.31 121.96 2qib h LEU 89 Ca 0.34 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 2qib h LEU 89 Cb -0.10 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 2qib h LEU 89 CO -0.07 0.72 0.28 0.03 -0.34 0.00 0.00 178.44 179.06 2qib h ARG 90 N 1.18 0.72 -1.90 1.25 3.08 -0.79 -1.50 114.38 116.42 2qib h ARG 90 Ca 0.34 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2qib h ARG 90 Cb -0.09 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.82 2qib h ARG 90 CO -0.09 0.56 0.00 0.28 -1.07 0.00 0.00 179.97 179.65 2qib n VAL 91 N -4.64 0.28 0.00 2.04 0.31 -0.79 -2.51 118.33 113.02 2qib n VAL 91 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2qib n VAL 91 Cb 0.09 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2qib n VAL 91 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qib n GLY 93 N 1.37 0.00 0.27 2.92 0.00 -0.56 -0.50 105.19 108.69 2qib n GLY 93 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qib n GLY 93 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qib h ARG 94 N 0.00 0.75 -0.08 1.61 3.08 -1.78 -0.91 114.38 117.06 2qib h ARG 94 Ca 0.00 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 2qib h ARG 94 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2qib h ARG 94 CO 0.00 0.83 0.04 -0.92 -1.07 0.00 0.00 179.97 178.85 2qib h TYR 95 N 0.68 0.11 -0.15 3.04 3.20 -1.08 -0.15 116.97 122.62 2qib h TYR 95 Ca 0.12 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 2qib h TYR 95 Cb 0.57 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2qib h TYR 95 CO 0.03 0.17 -0.27 0.74 -1.64 0.00 0.00 178.16 177.19 2qib h PHE 96 N 0.01 0.31 -0.22 -3.82 -1.00 -1.79 -0.58 116.94 109.85 2qib h PHE 96 Ca 0.03 -0.06 0.02 0.00 2.81 0.00 0.00 57.97 60.76 2qib h PHE 96 Cb 0.11 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2qib h PHE 96 CO -0.04 0.53 0.09 -0.44 -1.61 0.00 0.00 178.31 176.85 2qib h ASP 97 N 0.25 0.12 -0.03 2.17 3.32 -0.89 0.23 116.42 121.60 2qib h ASP 97 Ca 0.04 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2qib h ASP 97 Cb 0.61 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2qib h ASP 97 CO 0.04 0.10 -0.03 0.15 -1.72 0.00 0.00 179.24 177.78 2qib h PHE 98 N 0.20 -0.08 -0.61 4.55 3.57 -0.38 -1.06 116.94 123.14 2qib h PHE 98 Ca 0.09 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2qib h PHE 98 Cb 0.04 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 2qib h PHE 98 CO -0.11 -0.05 0.39 0.28 -2.23 0.00 0.00 178.31 176.60 2qib h VAL 99 N -0.05 1.13 0.09 1.41 2.07 -0.92 -1.40 116.25 118.58 2qib h VAL 99 Ca 0.02 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2qib h VAL 99 Cb 0.08 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2qib h VAL 99 CO -0.05 0.15 -0.23 -0.78 0.02 0.00 0.00 177.57 176.67 2qib h ASP 100 N 0.80 -0.65 -0.29 0.57 3.58 -0.77 0.12 116.42 119.78 2qib h ASP 100 Ca 0.23 0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.79 2qib h ASP 100 Cb -0.06 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2qib h ASP 100 CO -0.06 -0.31 0.20 -0.33 -2.88 0.00 0.00 179.24 175.86 2qib h GLU 101 N -0.41 0.26 -0.11 0.28 5.08 -0.73 -2.51 114.58 116.44 2qib h GLU 101 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qib h GLU 101 Cb 0.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2qib h GLU 101 CO -0.15 0.17 0.00 0.72 -1.00 0.00 0.00 179.01 178.75 2qib n HIS 102 N -4.49 0.37 0.17 4.33 8.25 -0.57 -4.84 115.22 118.44 2qib n HIS 102 Ca 0.02 -0.91 -0.17 0.00 -0.26 0.00 0.00 57.72 56.41 2qib n HIS 102 Cb 0.17 -0.20 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 2qib n HIS 102 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2qib h GLY 103 N 0.73 -1.20 0.90 -1.41 0.00 -0.29 0.11 103.07 101.90 2qib h GLY 103 Ca 0.00 0.62 0.05 0.00 0.00 0.00 0.00 47.33 48.00 2qib h GLY 103 CO 0.08 -0.31 0.61 -2.55 0.00 0.00 0.00 176.54 174.37 2qib h PRO 104 N -0.82 1.09 -0.38 4.80 0.11 -1.82 0.12 132.00 135.10 2qib h PRO 104 Ca -0.03 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.86 2qib h PRO 104 Cb 0.78 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2qib h PRO 104 CO -0.20 0.72 -0.38 0.78 -0.21 0.00 0.00 178.00 178.72 2qib h GLY 105 N 1.13 1.01 0.79 -0.55 0.00 -0.78 -1.92 103.07 102.74 2qib h GLY 105 Ca 0.38 -1.03 0.02 0.00 0.00 0.00 0.00 47.33 46.71 2qib h GLY 105 CO -0.13 0.93 0.05 -2.75 0.00 0.00 0.00 176.54 174.64 2qib h PHE 106 N 0.75 0.09 -0.37 5.60 3.57 -0.35 0.18 116.94 126.41 2qib h PHE 106 Ca 0.06 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2qib h PHE 106 Cb 0.97 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2qib h PHE 106 CO 0.06 0.04 0.21 0.77 -2.23 0.00 0.00 178.31 177.16 2qib h SER 107 N 0.14 0.45 -0.52 0.41 0.02 -0.74 -2.84 113.55 110.47 2qib h SER 107 Ca 0.09 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2qib h SER 107 Cb 0.08 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2qib h SER 107 CO -0.11 0.40 0.23 0.00 -1.14 0.00 0.00 176.83 176.20 2qib h ALA 108 N 1.07 0.67 0.00 3.77 0.00 -1.14 0.28 119.26 123.92 2qib h ALA 108 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qib h ALA 108 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qib h ALA 108 CO -0.02 0.26 0.00 -0.11 0.00 0.00 0.00 179.25 179.38 2qib n LEU 109 N -4.56 0.08 0.00 0.00 7.94 0.03 -1.82 117.00 118.68 2qib n LEU 109 Ca 0.02 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2qib n LEU 109 Cb 0.14 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.05 2qib n LEU 109 CO 0.38 0.02 0.00 0.54 -1.11 0.00 0.00 177.39 177.22 2qib n ARG 111 N -0.17 0.00 -0.06 1.96 1.74 0.09 -2.12 116.66 118.09 2qib n ARG 111 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2qib n ARG 111 Cb 0.02 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.41 2qib n ARG 111 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2qib h GLY 112 N 0.00 0.38 -0.17 -0.13 0.00 -1.56 -3.50 103.07 98.09 2qib h GLY 112 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.05 2qib h GLY 112 CO 0.00 0.28 -0.03 0.61 0.00 0.00 0.00 176.54 177.40 2qib n GLY 113 N -0.19 -2.04 0.28 4.60 0.00 -0.90 -3.97 105.19 102.96 2qib n GLY 113 Ca -0.05 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2qib n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qib h PRO 114 N 0.00 0.00 -0.25 1.61 0.13 -1.91 -2.39 132.00 129.19 2qib h PRO 114 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2qib h PRO 114 Cb 0.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 2qib h PRO 114 CO 0.00 0.04 0.08 0.00 -0.23 0.00 0.00 178.00 177.89 2qib h ALA 115 N 1.96 0.33 0.04 -0.56 0.00 -1.99 -3.19 119.26 115.85 2qib h ALA 115 Ca -0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 2qib h ALA 115 Cb 0.10 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qib h ALA 115 CO 0.01 -0.04 -1.06 0.28 0.00 0.00 0.00 179.25 178.43 2qib h VAL 116 N 0.24 1.35 -4.04 0.00 2.07 -1.67 -3.46 116.25 110.74 2qib h VAL 116 Ca 0.08 -2.46 -0.54 0.00 0.82 0.00 0.00 66.70 64.60 2qib h VAL 116 Cb 0.23 2.52 0.13 0.00 -1.52 0.00 0.00 31.29 32.65 2qib h VAL 116 CO -0.00 0.74 0.59 -0.83 0.02 0.00 0.00 177.57 178.09 2qib s GLY 117 N -4.41 2.87 0.92 2.17 0.00 -0.90 -5.01 107.32 102.96 2qib s GLY 117 Ca -0.07 1.28 -0.12 0.00 0.00 0.00 0.00 44.72 45.81 2qib s GLY 117 CO 0.90 1.79 1.10 -1.35 0.00 0.00 0.00 173.10 175.53 2qib s SER 118 N -1.02 3.29 0.30 1.64 1.04 -1.26 -4.78 113.70 112.91 2qib s SER 118 Ca 0.71 1.29 0.02 0.00 0.48 0.00 0.00 55.95 58.44 2qib s SER 118 Cb -0.39 -1.95 0.56 0.00 0.10 0.00 0.00 66.02 64.34 2qib s SER 118 CO 0.46 -2.73 1.88 0.74 0.98 0.00 0.00 173.24 174.57 2qib h THR 119 N -1.61 1.00 -0.17 2.02 2.02 -1.94 -0.47 112.91 113.75 2qib h THR 119 Ca -0.51 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 2qib h THR 119 Cb 1.30 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2qib h THR 119 CO 0.57 0.18 -0.04 0.74 0.37 0.00 0.00 175.52 177.34 2qib h THR 120 N 0.99 1.29 -0.46 3.16 2.02 -1.99 -1.33 112.91 116.59 2qib h THR 120 Ca 0.43 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 2qib h THR 120 Cb 0.34 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2qib h THR 120 CO -0.19 0.30 0.16 0.71 0.37 0.00 0.00 175.52 176.87 2qib h THR 121 N 0.02 1.22 -0.92 3.16 1.35 -1.78 -1.06 112.91 114.90 2qib h THR 121 Ca 0.04 -0.70 0.05 0.00 -0.55 0.00 0.00 66.41 65.24 2qib h THR 121 Cb 0.48 0.81 -0.06 0.00 -1.73 0.00 0.00 68.15 67.65 2qib h THR 121 CO 0.02 0.26 0.59 0.78 -0.25 0.00 0.00 175.52 176.92 2qib h ASN 122 N 0.60 0.97 -0.42 5.36 2.35 -1.10 -0.93 115.58 122.41 2qib h ASN 122 Ca 0.15 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2qib h ASN 122 Cb 0.24 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2qib h ASN 122 CO -0.01 0.65 0.20 0.00 -1.65 0.00 0.00 177.43 176.62 2qib h ALA 123 N 1.40 0.54 -0.20 -0.83 0.00 -0.91 -0.63 119.26 118.63 2qib h ALA 123 Ca 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qib h ALA 123 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qib h ALA 123 CO -0.14 0.11 0.13 -0.07 0.00 0.00 0.00 179.25 179.28 2qib h LEU 124 N 0.54 0.22 -0.21 0.00 3.38 -0.79 0.63 115.31 119.08 2qib h LEU 124 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qib h LEU 124 Cb 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qib h LEU 124 CO -0.02 0.16 0.13 0.58 0.09 0.00 0.00 178.44 179.38 2qib h VAL 125 N 0.26 1.06 -0.60 1.22 2.07 -1.09 -1.84 116.25 117.32 2qib h VAL 125 Ca 0.07 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2qib h VAL 125 Cb -0.03 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2qib h VAL 125 CO -0.02 0.05 0.40 0.44 0.02 0.00 0.00 177.57 178.46 2qib h ASP 126 N 0.27 0.59 -0.17 0.57 3.32 -0.89 -1.82 116.42 118.30 2qib h ASP 126 Ca 0.07 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2qib h ASP 126 Cb -0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2qib h ASP 126 CO -0.02 0.40 -0.12 0.77 -1.72 0.00 0.00 179.24 178.56 2qib h SER 127 N 0.68 0.52 -0.25 6.45 4.64 -0.09 0.43 113.55 125.93 2qib h SER 127 Ca 0.24 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2qib h SER 127 Cb 0.11 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2qib h SER 127 CO -0.07 0.67 -0.02 0.58 -0.87 0.00 0.00 176.83 177.13 2qib h VAL 128 N 0.49 1.26 -0.56 0.95 2.07 -0.68 -0.31 116.25 119.47 2qib h VAL 128 Ca 0.09 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2qib h VAL 128 Cb 0.50 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2qib h VAL 128 CO 0.03 0.30 0.33 0.03 0.02 0.00 0.00 177.57 178.28 2qib h ARG 129 N 0.22 0.63 -0.62 1.57 3.08 -1.02 -0.82 114.38 117.42 2qib h ARG 129 Ca 0.07 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 2qib h ARG 129 Cb 0.44 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2qib h ARG 129 CO 0.02 0.42 0.12 0.37 -1.07 0.00 0.00 179.97 179.82 2qib h GLN 130 N 0.65 1.00 -0.79 0.04 5.75 -0.85 -1.79 115.11 119.11 2qib h GLN 130 Ca 0.23 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2qib h GLN 130 Cb 0.05 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 2qib h GLN 130 CO -0.11 0.91 0.50 0.00 -2.65 0.00 0.00 178.83 177.48 2qib h ALA 131 N 1.18 1.04 -0.19 3.38 0.00 -0.41 -0.43 119.26 123.83 2qib h ALA 131 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qib h ALA 131 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qib h ALA 131 CO 0.01 0.32 0.12 0.00 0.00 0.00 0.00 179.25 179.69 2qib h ALA 132 N 1.33 0.23 -0.20 0.00 0.00 -0.91 -1.96 119.26 117.76 2qib h ALA 132 Ca 0.32 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2qib h ALA 132 Cb 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2qib h ALA 132 CO -0.11 -0.29 -0.11 -0.92 0.00 0.00 0.00 179.25 177.82 2qib h TYR 133 N 0.25 -0.25 -0.70 0.00 3.20 -0.74 -0.76 116.97 117.96 2qib h TYR 133 Ca 0.07 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.00 2qib h TYR 133 Cb -0.02 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 2qib h TYR 133 CO -0.07 -0.16 0.43 0.28 -1.64 0.00 0.00 178.16 176.99 2qib h VAL 134 N -0.09 1.05 -0.47 1.81 2.07 -0.96 -1.19 116.25 118.48 2qib h VAL 134 Ca 0.11 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2qib h VAL 134 Cb 0.25 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2qib h VAL 134 CO -0.25 0.15 0.01 1.56 0.02 0.00 0.00 177.57 179.06 2qib h GLN 135 N 0.81 0.81 -0.39 1.57 1.08 -0.92 -1.66 115.11 116.42 2qib h GLN 135 Ca 0.30 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2qib h GLN 135 Cb 0.09 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2qib h GLN 135 CO -0.14 0.86 0.17 0.82 -0.95 0.00 0.00 178.83 179.60 2qib h ILE 136 N 0.67 1.18 -0.64 2.54 2.04 -0.81 -1.89 117.51 120.60 2qib h ILE 136 Ca 0.13 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2qib h ILE 136 Cb 0.48 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2qib h ILE 136 CO 0.02 0.20 0.34 -0.07 0.00 0.00 0.00 178.15 178.64 2qib h LEU 137 N 0.48 0.79 -0.47 1.44 3.38 -1.17 -1.50 115.31 118.26 2qib h LEU 137 Ca 0.13 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2qib h LEU 137 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2qib h LEU 137 CO -0.01 0.64 0.27 -1.28 0.09 0.00 0.00 178.44 178.15 2qib h SER 138 N 0.89 0.43 -0.08 -0.43 0.87 -0.85 -0.66 113.55 113.72 2qib h SER 138 Ca 0.23 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.69 2qib h SER 138 Cb 0.04 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2qib h SER 138 CO -0.04 0.31 -0.29 0.45 -0.53 0.00 0.00 176.83 176.73 2qib h HIS 139 N 0.54 0.62 0.00 2.24 3.86 -0.88 -1.95 115.15 119.58 2qib h HIS 139 Ca 0.19 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2qib h HIS 139 Cb 0.03 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.36 2qib h HIS 139 CO -0.07 0.78 0.00 1.28 0.86 0.00 0.00 177.93 180.77 2qib n LEU 140 N -4.09 0.42 -3.01 2.43 4.77 -0.61 -4.91 117.00 112.00 2qib n LEU 140 Ca -0.01 0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 56.37 2qib n LEU 140 Cb 0.44 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2qib n LEU 140 CO 0.43 -0.34 0.18 -0.67 -1.33 0.00 0.00 177.39 175.66 2qib n ASP 141 N -1.94 -4.82 -4.18 -1.43 2.03 -0.33 -5.02 116.55 100.86 2qib n ASP 141 Ca 0.04 -0.45 -0.33 0.00 0.52 0.00 0.00 54.79 54.57 2qib n ASP 141 Cb 0.26 -4.20 -0.16 0.00 -0.72 0.00 0.00 41.12 36.30 2qib n ASP 141 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2qib s VAL 142 N -3.27 2.17 -0.13 5.18 1.01 -0.72 -5.00 120.40 119.64 2qib s VAL 142 Ca 0.38 -0.94 0.15 0.00 0.00 0.00 0.00 61.98 61.56 2qib s VAL 142 Cb -0.17 -1.88 -0.21 0.00 0.00 0.00 0.00 36.38 34.13 2qib s VAL 142 CO 0.59 0.54 0.12 0.35 0.00 0.00 0.00 175.10 176.71 2qib n THR 143 N 4.15 0.83 -3.68 3.92 -2.24 -1.26 -4.54 114.28 111.46 2qib n THR 143 Ca -0.20 -0.60 -0.30 0.00 -2.27 0.00 0.00 64.05 60.68 2qib n THR 143 Cb 0.51 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.22 2qib n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qib n GLU 144 N -2.47 2.30 -1.97 -0.78 -0.58 -1.26 -5.08 120.64 110.79 2qib n GLU 144 Ca -0.21 -4.55 -0.42 0.00 -0.42 0.00 0.00 57.16 51.57 2qib n GLU 144 Cb 0.88 -2.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.42 2qib n GLU 144 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qib s PRO 145 N -1.83 4.24 0.99 3.49 0.04 -1.26 -4.99 135.00 135.69 2qib s PRO 145 Ca 0.30 2.33 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 2qib s PRO 145 Cb 0.02 -3.13 0.19 0.00 0.04 0.00 0.00 34.50 31.61 2qib s PRO 145 CO -0.10 -0.52 1.08 -2.14 0.04 0.00 0.00 177.00 175.36 2qib s PRO 146 N 0.41 0.44 0.22 0.56 0.02 -1.26 -4.75 135.00 130.65 2qib s PRO 146 Ca 0.65 0.95 -0.07 0.00 0.02 0.00 0.00 61.00 62.55 2qib s PRO 146 Cb -0.43 -1.70 0.36 0.00 0.02 0.00 0.00 34.50 32.75 2qib s PRO 146 CO 0.37 -2.84 1.73 0.00 -0.33 0.00 0.00 177.00 175.93 2qib h ALA 147 N -1.99 0.88 -0.66 -1.55 0.00 -1.99 -1.10 119.26 112.84 2qib h ALA 147 Ca -0.52 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2qib h ALA 147 Cb 1.30 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2qib h ALA 147 CO 0.51 -0.23 0.12 0.00 0.00 0.00 0.00 179.25 179.65 2qib h ARG 148 N 0.38 1.09 -0.26 0.00 3.08 -2.00 -0.82 114.38 115.85 2qib h ARG 148 Ca 0.36 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 2qib h ARG 148 Cb 0.51 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2qib h ARG 148 CO -0.38 0.99 -0.08 1.25 -1.07 0.00 0.00 179.97 180.68 2qib h LEU 149 N 1.01 0.52 -0.80 3.04 5.85 -1.80 -1.59 115.31 121.54 2qib h LEU 149 Ca 0.20 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2qib h LEU 149 Cb 0.42 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2qib h LEU 149 CO 0.01 0.78 0.49 -0.08 -0.34 0.00 0.00 178.44 179.30 2qib h GLU 150 N 0.25 0.87 -0.29 1.25 4.81 -0.89 -0.69 114.58 119.89 2qib h GLU 150 Ca 0.06 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2qib h GLU 150 Cb 0.56 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2qib h GLU 150 CO 0.03 0.58 -0.11 1.25 -0.73 0.00 0.00 179.01 180.03 2qib h LEU 151 N 0.90 0.60 -0.37 1.64 6.46 -0.96 -0.76 115.31 122.83 2qib h LEU 151 Ca 0.34 -0.39 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2qib h LEU 151 Cb 0.14 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 2qib h LEU 151 CO -0.16 0.86 0.21 0.58 -0.62 0.00 0.00 178.44 179.30 2qib h VAL 152 N 0.35 1.03 0.02 1.05 2.07 -1.03 0.10 116.25 119.83 2qib h VAL 152 Ca 0.07 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2qib h VAL 152 Cb 0.62 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2qib h VAL 152 CO 0.04 0.08 -0.01 0.58 0.02 0.00 0.00 177.57 178.28 2qib h VAL 153 N 0.42 1.21 -0.37 2.57 2.07 -0.98 -0.31 116.25 120.88 2qib h VAL 153 Ca 0.15 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 2qib h VAL 153 Cb 0.02 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2qib h VAL 153 CO -0.08 0.18 -0.06 0.03 0.02 0.00 0.00 177.57 177.66 2qib h ARG 154 N -0.33 0.61 -0.01 1.57 3.08 -1.05 -1.20 114.38 117.05 2qib h ARG 154 Ca -0.00 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.76 2qib h ARG 154 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2qib h ARG 154 CO 0.00 0.68 -0.58 0.66 -1.07 0.00 0.00 179.97 179.67 2qib h SER 155 N 0.57 0.04 -0.41 7.04 4.64 -0.67 -1.87 113.55 122.89 2qib h SER 155 Ca 0.11 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 2qib h SER 155 Cb 0.46 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2qib h SER 155 CO 0.02 0.61 -0.08 -0.25 -0.87 0.00 0.00 176.83 176.26 2qib h TRP 156 N 0.03 0.87 -0.70 4.77 7.01 -0.44 -0.44 115.95 127.05 2qib h TRP 156 Ca -0.01 -0.18 0.08 0.00 2.11 0.00 0.00 58.89 60.89 2qib h TRP 156 Cb 1.03 -0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 27.81 2qib h TRP 156 CO 0.00 0.89 0.38 0.82 -2.79 0.00 0.00 178.44 177.74 2qib h ILE 157 N 0.59 0.92 -0.86 2.65 2.04 -0.93 0.19 117.51 122.11 2qib h ILE 157 Ca 0.11 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2qib h ILE 157 Cb 0.60 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2qib h ILE 157 CO 0.04 0.12 0.44 0.28 0.00 0.00 0.00 178.15 179.03 2qib h SER 158 N 0.67 1.10 -0.53 1.72 0.02 -1.03 -1.45 113.55 114.04 2qib h SER 158 Ca 0.33 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2qib h SER 158 Cb 0.27 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2qib h SER 158 CO -0.22 0.91 0.34 0.25 -1.14 0.00 0.00 176.83 176.96 2qib h LEU 159 N 1.21 0.62 -0.74 5.07 5.85 -0.06 -0.90 115.31 126.36 2qib h LEU 159 Ca 0.30 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 2qib h LEU 159 Cb 0.08 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2qib h LEU 159 CO -0.04 0.48 -0.06 0.00 -0.34 0.00 0.00 178.44 178.47 2qib h ALA 160 N 1.17 0.94 0.00 1.25 0.00 -0.27 0.53 119.26 122.88 2qib h ALA 160 Ca 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qib h ALA 160 Cb -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2qib h ALA 160 CO -0.04 0.63 -0.00 0.93 0.00 0.00 0.00 179.25 180.77 2qib h GLU 161 N 0.82 -0.00 -0.51 0.00 5.08 -1.11 -2.18 114.58 116.67 2qib h GLU 161 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2qib h GLU 161 Cb 0.57 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2qib h GLU 161 CO 0.03 0.00 0.29 1.03 -1.00 0.00 0.00 179.01 179.36 2qib h SER 162 N -0.01 0.64 -0.35 1.42 0.87 -0.97 -1.46 113.55 113.69 2qib h SER 162 Ca -0.00 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2qib h SER 162 Cb 0.01 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2qib h SER 162 CO 0.00 0.54 0.22 0.74 -0.53 0.00 0.00 176.83 177.80 2qib h THR 163 N 0.69 1.07 -0.69 2.23 2.02 -0.87 0.83 112.91 118.19 2qib h THR 163 Ca 0.18 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 2qib h THR 163 Cb 0.04 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2qib h THR 163 CO -0.03 0.08 0.18 0.00 0.37 0.00 0.00 175.52 176.12 2qib h ALA 164 N 1.14 0.91 -0.58 6.16 0.00 -1.14 0.19 119.26 125.94 2qib h ALA 164 Ca 0.13 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2qib h ALA 164 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2qib h ALA 164 CO -0.04 0.62 -0.02 -0.07 0.00 0.00 0.00 179.25 179.74 2qib h LEU 165 N 1.03 1.02 -0.82 0.00 3.38 -0.90 -1.68 115.31 117.35 2qib h LEU 165 Ca 0.22 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2qib h LEU 165 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qib h LEU 165 CO 0.00 1.09 -0.40 -0.07 0.09 0.00 0.00 178.44 179.15 2qib h LEU 166 N 0.93 0.41 -0.37 1.67 3.38 -0.66 -2.80 115.31 117.88 2qib h LEU 166 Ca 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qib h LEU 166 Cb 0.57 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2qib h LEU 166 CO 0.03 0.77 0.23 -0.25 0.09 0.00 0.00 178.44 179.32 2qib h TRP 167 N 0.33 0.47 0.00 1.13 7.01 -0.52 -2.78 115.95 121.58 2qib h TRP 167 Ca 0.03 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2qib h TRP 167 Cb 0.85 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 2qib h TRP 167 CO 0.02 0.31 -0.01 -0.07 -2.79 0.00 0.00 178.44 175.91 2qib h LEU 168 N 0.49 0.00 -7.07 0.65 3.38 -1.06 -0.28 115.31 111.42 2qib h LEU 168 Ca 0.13 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.41 2qib h LEU 168 Cb -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 2qib h LEU 168 CO -0.03 0.01 2.58 -0.67 0.09 0.00 0.00 178.44 180.42 2qib n ASP 169 N -4.14 4.50 0.00 -0.43 2.03 -1.05 -4.08 116.55 113.38 2qib n ASP 169 Ca -0.03 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.39 2qib n ASP 169 Cb 0.09 -1.71 0.00 0.00 -0.72 0.00 0.00 41.12 38.79 2qib n ASP 169 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qib n GLY 170 N 4.81 2.81 4.15 0.27 0.00 -1.25 -4.66 105.19 111.31 2qib n GLY 170 Ca 0.50 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.21 2qib n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qib n ARG 171 N -1.15 -2.58 0.00 1.61 1.74 -0.12 -4.83 116.66 111.33 2qib n ARG 171 Ca 0.00 0.31 0.14 0.00 -0.77 0.00 0.00 57.85 57.53 2qib n ARG 171 Cb 0.00 -4.49 0.55 0.00 -1.02 0.00 0.00 32.46 27.50 2qib n ARG 171 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qib n ARG 172 N -4.42 0.09 -4.94 5.56 1.74 -1.26 -4.69 116.66 108.74 2qib n ARG 172 Ca -0.18 -0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.60 2qib n ARG 172 Cb 0.62 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.40 2qib n ARG 172 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qib s ILE 173 N -2.93 1.61 0.36 0.55 1.01 -1.26 -5.12 121.20 115.43 2qib s ILE 173 Ca 0.16 -0.80 -0.28 0.00 0.00 0.00 0.00 60.65 59.73 2qib s ILE 173 Cb 0.19 -1.39 -0.10 0.00 0.01 0.00 0.00 42.46 41.17 2qib s ILE 173 CO 0.56 0.46 1.31 -2.84 0.00 0.00 0.00 174.94 174.43 2qib s PRO 174 N 0.14 4.18 0.41 2.79 0.02 -1.26 -4.90 135.00 136.38 2qib s PRO 174 Ca -0.08 2.21 0.10 0.00 0.02 0.00 0.00 61.00 63.26 2qib s PRO 174 Cb -0.14 -2.93 0.93 0.00 0.02 0.00 0.00 34.50 32.38 2qib s PRO 174 CO 0.04 -0.33 2.00 0.07 -0.33 0.00 0.00 177.00 178.45 2qib h ARG 175 N 3.06 0.50 -0.87 5.54 0.11 -1.99 -2.09 114.38 118.63 2qib h ARG 175 Ca -0.49 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.56 2qib h ARG 175 Cb 1.23 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 32.16 2qib h ARG 175 CO 0.64 0.33 0.56 0.00 0.10 0.00 0.00 179.97 181.60 2qib h ALA 176 N 1.70 1.11 -0.72 0.08 0.00 -2.00 0.98 119.26 120.40 2qib h ALA 176 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qib h ALA 176 Cb 0.31 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2qib h ALA 176 CO -0.07 0.53 0.46 1.49 0.00 0.00 0.00 179.25 181.66 2qib h GLU 177 N 1.19 0.97 -0.20 0.00 4.81 -1.76 -2.49 114.58 117.10 2qib h GLU 177 Ca 0.32 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.32 2qib h GLU 177 Cb -0.11 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.05 2qib h GLU 177 CO -0.07 0.66 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.30 2qib h LEU 178 N 0.99 0.60 0.08 1.64 3.38 -1.04 0.11 115.31 121.08 2qib h LEU 178 Ca 0.26 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qib h LEU 178 Cb -0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2qib h LEU 178 CO -0.05 1.00 -0.04 -0.33 0.09 0.00 0.00 178.44 179.11 2qib h GLU 179 N 0.43 -0.11 -0.64 1.13 5.08 -0.80 0.54 114.58 120.21 2qib h GLU 179 Ca 0.02 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2qib h GLU 179 Cb 1.04 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2qib h GLU 179 CO 0.10 -0.02 0.30 1.15 -1.00 0.00 0.00 179.01 179.54 2qib h THR 180 N -0.18 1.22 -0.63 1.13 2.02 -1.33 -2.55 112.91 112.59 2qib h THR 180 Ca -0.01 -0.63 0.07 0.00 0.77 0.00 0.00 66.41 66.61 2qib h THR 180 Cb 0.14 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 2qib h THR 180 CO 0.02 0.26 0.32 -0.61 0.37 0.00 0.00 175.52 175.87 2qib h GLN 181 N 0.88 0.56 -0.37 6.66 4.15 -0.59 -0.60 115.11 125.80 2qib h GLN 181 Ca 0.22 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.53 2qib h GLN 181 Cb 0.13 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2qib h GLN 181 CO -0.03 0.37 -0.07 -0.07 -1.93 0.00 0.00 178.83 177.11 2qib h LEU 182 N 0.57 0.60 -0.06 -2.39 3.38 -0.56 0.33 115.31 117.18 2qib h LEU 182 Ca 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2qib h LEU 182 Cb 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qib h LEU 182 CO -0.22 0.72 0.01 0.58 0.09 0.00 0.00 178.44 179.62 2qib h VAL 183 N 0.58 1.20 -0.94 1.22 2.07 -1.04 -1.58 116.25 117.75 2qib h VAL 183 Ca 0.11 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2qib h VAL 183 Cb 0.47 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 2qib h VAL 183 CO 0.02 0.17 0.58 0.45 0.02 0.00 0.00 177.57 178.81 2qib h HIS 184 N -0.12 1.24 -0.98 1.57 3.86 -0.84 -2.41 115.15 117.48 2qib h HIS 184 Ca 0.02 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.31 2qib h HIS 184 Cb 0.25 -0.41 -0.07 0.00 1.06 0.00 0.00 27.41 28.24 2qib h HIS 184 CO 0.01 0.81 0.62 -0.44 0.86 0.00 0.00 177.93 179.80 2qib h ASP 185 N 1.30 0.98 0.13 2.45 3.32 -0.19 -0.28 116.42 124.13 2qib h ASP 185 Ca 0.34 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 2qib h ASP 185 Cb -0.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.30 2qib h ASP 185 CO -0.07 0.60 -0.06 0.15 -1.72 0.00 0.00 179.24 178.14 2qib h PHE 186 N 1.10 -0.17 -0.54 4.55 3.57 -0.79 0.36 116.94 125.01 2qib h PHE 186 Ca 0.44 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.00 2qib h PHE 186 Cb 0.24 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 2qib h PHE 186 CO -0.01 -0.01 0.23 0.00 -2.23 0.00 0.00 178.31 176.29 2qib h ALA 187 N 0.56 0.69 -0.41 2.41 0.00 -1.17 -3.03 119.26 118.32 2qib h ALA 187 Ca -0.02 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2qib h ALA 187 Cb 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qib h ALA 187 CO 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 2qib h ALA 188 N 1.34 0.55 0.00 0.00 0.00 -0.76 0.15 119.26 120.54 2qib h ALA 188 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qib h ALA 188 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qib h ALA 188 CO -0.23 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.67 2qib n LEU 189 N -4.39 0.00 0.00 0.00 4.77 0.09 -1.04 117.00 116.43 2qib n LEU 189 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2qib n LEU 189 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2qib n LEU 189 CO 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 2qib n ALA 191 N 0.68 0.00 -0.09 -1.18 0.00 0.51 -2.38 120.51 118.05 2qib n ALA 191 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2qib n ALA 191 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2qib n ALA 191 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qib h VAL 192 N 0.00 1.12 -0.71 0.00 2.07 -1.34 -2.90 116.25 114.49 2qib h VAL 192 Ca 0.00 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2qib h VAL 192 Cb 0.00 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2qib h VAL 192 CO 0.00 0.12 0.20 -1.28 0.02 0.00 0.00 177.57 176.63 2qib h SER 193 N 0.37 1.04 -0.40 0.57 0.87 -1.74 -2.63 113.55 111.63 2qib h SER 193 Ca 0.11 -0.20 0.12 0.00 -1.23 0.00 0.00 61.79 60.58 2qib h SER 193 Cb 0.05 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2qib h SER 193 CO -0.02 0.98 0.59 0.00 -0.53 0.00 0.00 176.83 177.85 2qib h ALA 194 N 1.15 2.08 0.00 6.23 0.00 -1.79 -1.52 119.26 125.42 2qib h ALA 194 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2qib h ALA 194 Cb 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qib h ALA 194 CO -0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 179.25 178.38 2qib h ALA 195 N 1.19 1.43 -0.01 0.00 0.00 -1.50 -3.11 119.26 117.26 2qib h ALA 195 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qib h ALA 195 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2qib h ALA 195 CO -0.00 0.08 -0.19 0.66 0.00 0.00 0.00 179.25 179.80 2qib n TYR 196 N -3.79 0.00 -3.66 0.00 4.01 -0.57 -4.96 117.16 108.19 2qib n TYR 196 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.65 2qib n TYR 196 Cb 0.16 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.11 2qib n TYR 196 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2qib s ASP 197 N -1.55 -0.51 0.20 7.72 2.15 -1.18 -5.04 116.67 118.45 2qib s ASP 197 Ca 0.14 1.14 -0.05 0.00 0.43 0.00 0.00 52.55 54.21 2qib s ASP 197 Cb 0.12 1.53 0.14 0.00 -0.30 0.00 0.00 42.92 44.40 2qib s ASP 197 CO 0.30 -0.23 1.58 -0.33 -0.17 0.00 0.00 175.17 176.32 2qib h GLU 198 N 8.00 0.75 -0.50 4.34 4.39 -1.93 0.45 114.58 130.07 2qib h GLU 198 Ca -0.19 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.16 2qib h GLU 198 Cb 1.12 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2qib h GLU 198 CO 0.13 0.97 0.00 -1.91 -1.16 0.00 0.00 179.01 177.04 2qib n GLU 199 N -4.07 0.06 0.00 2.33 2.13 -1.26 -0.91 120.64 118.93 2qib n GLU 199 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2qib n GLU 199 Cb 0.49 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 31.07 2qib n GLU 199 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qib n GLY 201 N 0.59 0.00 0.30 8.31 0.00 0.15 -2.43 105.19 112.10 2qib n GLY 201 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2qib n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qib h ALA 202 N 0.00 0.83 -0.20 4.61 0.00 -1.30 -1.32 119.26 121.89 2qib h ALA 202 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2qib h ALA 202 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2qib h ALA 202 CO 0.00 0.66 0.02 1.25 0.00 0.00 0.00 179.25 181.18 2qib h LEU 203 N 0.90 0.32 -0.73 0.00 5.85 -1.74 -2.27 115.31 117.64 2qib h LEU 203 Ca 0.15 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2qib h LEU 203 Cb 0.63 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2qib h LEU 203 CO 0.04 0.51 0.26 0.58 -0.34 0.00 0.00 178.44 179.50 2qib h VAL 204 N 0.11 1.25 -0.67 1.05 2.07 -1.82 -0.17 116.25 118.08 2qib h VAL 204 Ca 0.06 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.78 2qib h VAL 204 Cb 0.33 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2qib h VAL 204 CO 0.01 0.33 0.41 0.03 0.02 0.00 0.00 177.57 178.36 2qib h ARG 205 N 1.05 0.76 -0.20 1.57 3.08 -1.18 -0.65 114.38 118.81 2qib h ARG 205 Ca 0.24 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2qib h ARG 205 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2qib h ARG 205 CO -0.01 0.50 0.06 -0.09 -1.07 0.00 0.00 179.97 179.36 2qib h ARG 206 N 0.78 0.32 -0.17 0.04 2.43 -0.81 -0.45 114.38 116.52 2qib h ARG 206 Ca 0.28 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 2qib h ARG 206 Cb 0.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2qib h ARG 206 CO -0.13 0.42 0.00 0.28 -1.51 0.00 0.00 179.97 179.03 2qib h VAL 207 N 0.15 0.88 0.00 0.20 2.07 -0.84 -2.53 116.25 116.18 2qib h VAL 207 Ca 0.07 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2qib h VAL 207 Cb 0.24 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2qib h VAL 207 CO -0.00 0.01 -0.14 -0.07 0.02 0.00 0.00 177.57 177.39 2qib h LEU 208 N 0.06 0.00 -1.56 2.57 3.38 -1.03 -2.45 115.31 116.27 2qib h LEU 208 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qib h LEU 208 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qib h LEU 208 CO -0.14 0.14 -0.01 0.00 0.09 0.00 0.00 178.44 178.53 2qib h ALA 209 N 1.86 1.00 -0.00 1.53 0.00 -0.64 -2.69 119.26 120.32 2qib h ALA 209 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qib h ALA 209 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qib h ALA 209 CO 0.02 0.01 -0.21 -0.25 0.00 0.00 0.00 179.25 178.81 2qib n ASP 210 N -3.10 0.52 -4.80 0.00 8.00 -0.92 -4.83 116.55 111.42 2qib n ASP 210 Ca 0.00 -0.41 -0.37 0.00 0.71 0.00 0.00 54.79 54.72 2qib n ASP 210 Cb 0.29 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 2qib n ASP 210 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qib s GLU 211 N -2.68 4.41 0.53 -1.24 0.41 -1.02 -4.18 118.70 114.93 2qib s GLU 211 Ca 0.22 1.04 -0.20 0.00 -0.41 0.00 0.00 54.97 55.62 2qib s GLU 211 Cb 0.19 -2.98 -0.06 0.00 -1.78 0.00 0.00 34.13 29.50 2qib s GLU 211 CO 0.54 0.43 1.12 -1.25 -0.49 0.00 0.00 175.26 175.61 2qib s PRO 212 N -1.74 3.47 0.52 0.39 0.04 -1.26 -4.92 135.00 131.50 2qib s PRO 212 Ca 0.42 1.58 0.18 0.00 0.04 0.00 0.00 61.00 63.22 2qib s PRO 212 Cb -0.19 -2.06 1.31 0.00 0.04 0.00 0.00 34.50 33.60 2qib s PRO 212 CO 0.23 -0.75 2.14 1.05 0.04 0.00 0.00 177.00 179.72 2qib h GLU 213 N 1.34 0.00 -0.75 4.56 4.11 -1.95 0.39 114.58 122.28 2qib h GLU 213 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2qib h GLU 213 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2qib h GLU 213 CO 0.58 0.02 0.00 -0.40 0.07 0.00 0.00 179.01 179.28 2qib n ASP 214 N -4.42 2.62 -4.30 3.06 5.68 -1.26 -4.68 116.55 113.26 2qib n ASP 214 Ca -0.03 -2.30 -0.29 0.00 -0.50 0.00 0.00 54.79 51.67 2qib n ASP 214 Cb 0.11 -0.51 0.16 0.00 -1.14 0.00 0.00 41.12 39.74 2qib n ASP 214 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2qib s GLY 215 N -0.41 1.76 0.40 6.12 0.00 0.12 -4.82 107.32 110.50 2qib s GLY 215 Ca 0.21 -1.24 0.11 0.00 0.00 0.00 0.00 44.72 43.80 2qib s GLY 215 CO 0.07 -0.53 1.96 -2.55 0.00 0.00 0.00 173.10 172.05 2qib h PRO 216 N -1.40 0.52 -0.48 2.90 0.11 -1.94 -1.52 132.00 130.21 2qib h PRO 216 Ca -0.43 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2qib h PRO 216 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2qib h PRO 216 CO 0.41 0.35 0.04 0.35 -0.21 0.00 0.00 178.00 178.94 2qib h PHE 217 N 0.54 0.88 -0.39 0.65 3.57 -1.93 0.12 116.94 120.37 2qib h PHE 217 Ca 0.31 -0.14 0.07 0.00 3.53 0.00 0.00 57.97 61.74 2qib h PHE 217 Cb 0.49 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 2qib h PHE 217 CO -0.00 0.82 0.00 0.78 -2.23 0.00 0.00 178.31 177.69 2qib h GLY 218 N 0.67 0.39 1.09 2.40 0.00 -1.64 -0.52 103.07 105.46 2qib h GLY 218 Ca 0.14 0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 2qib h GLY 218 CO 0.02 -0.09 0.02 -1.80 0.00 0.00 0.00 176.54 174.69 2qib h ASP 219 N 0.11 1.06 -0.31 0.19 3.58 -0.96 -0.93 116.42 119.15 2qib h ASP 219 Ca 0.19 -0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.40 2qib h ASP 219 Cb 0.27 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2qib h ASP 219 CO -0.32 1.10 0.04 0.25 -2.88 0.00 0.00 179.24 177.43 2qib h LEU 220 N 1.00 -0.03 -0.68 2.28 5.85 -0.10 0.37 115.31 124.00 2qib h LEU 220 Ca 0.18 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 2qib h LEU 220 Cb 0.54 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2qib h LEU 220 CO 0.03 0.02 0.31 0.58 -0.34 0.00 0.00 178.44 179.04 2qib h VAL 221 N 0.15 1.23 -0.21 1.05 2.07 -0.87 -0.56 116.25 119.10 2qib h VAL 221 Ca 0.15 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2qib h VAL 221 Cb 0.17 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2qib h VAL 221 CO -0.21 0.28 0.04 0.44 0.02 0.00 0.00 177.57 178.13 2qib h ASP 222 N 0.94 0.01 -0.58 0.57 3.32 -0.83 -0.20 116.42 119.64 2qib h ASP 222 Ca 0.23 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 2qib h ASP 222 Cb 0.15 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2qib h ASP 222 CO -0.03 0.03 0.27 0.03 -1.72 0.00 0.00 179.24 177.83 2qib h ARG 223 N 0.12 0.88 -0.13 3.56 3.08 -0.56 -0.90 114.38 120.44 2qib h ARG 223 Ca 0.10 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 2qib h ARG 223 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2qib h ARG 223 CO -0.13 0.70 -0.62 -0.07 -1.07 0.00 0.00 179.97 178.78 2qib h LEU 224 N 0.87 0.51 -0.60 3.04 3.38 -0.61 0.04 115.31 121.94 2qib h LEU 224 Ca 0.21 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2qib h LEU 224 Cb 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2qib h LEU 224 CO -0.02 1.01 0.24 -0.07 0.09 0.00 0.00 178.44 179.69 2qib h LEU 225 N 0.33 0.83 -0.33 1.67 3.38 -0.76 -1.32 115.31 119.12 2qib h LEU 225 Ca -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2qib h LEU 225 Cb 1.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2qib h LEU 225 CO 0.11 0.77 0.12 0.00 0.09 0.00 0.00 178.44 179.54 2qib h ALA 226 N 1.09 0.43 -0.73 1.53 0.00 -0.97 -1.95 119.26 118.65 2qib h ALA 226 Ca 0.20 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2qib h ALA 226 Cb 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2qib h ALA 226 CO -0.02 0.04 0.41 1.25 0.00 0.00 0.00 179.25 180.93 2qib h LEU 227 N 0.38 0.60 -1.33 0.00 5.85 -0.88 -1.61 115.31 118.32 2qib h LEU 227 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2qib h LEU 227 Cb 0.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2qib h LEU 227 CO -0.01 0.37 0.00 0.28 -0.34 0.00 0.00 178.44 178.74 2qib h SER 228 N 0.73 0.00 -6.40 1.25 0.02 -0.75 -3.47 113.55 104.93 2qib h SER 228 Ca 0.34 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.81 2qib h SER 228 Cb 0.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2qib h SER 228 CO -0.21 0.00 -0.89 0.00 -1.14 0.00 0.00 176.83 174.59 2qib n ALA 229 N -1.96 -2.12 0.75 3.77 0.00 -0.61 -5.09 120.51 115.25 2qib n ALA 229 Ca 0.01 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.25 2qib n ALA 229 Cb 0.24 -2.02 0.36 0.00 0.00 0.00 0.00 19.45 18.03 2qib n ALA 229 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37