#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qib h ARG 15 N 0.00 0.78 -0.56 -0.14 2.43 -2.01 -0.32 114.38 114.57 2qib h ARG 15 Ca 0.00 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 2qib h ARG 15 Cb 0.00 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2qib h ARG 15 CO 0.00 0.73 -0.06 1.96 -1.51 0.00 0.00 179.97 181.09 2qib h GLN 16 N 0.68 1.01 -0.68 0.20 4.20 -2.05 -1.94 115.11 116.53 2qib h GLN 16 Ca 0.16 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2qib h GLN 16 Cb 0.28 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2qib h GLN 16 CO -0.00 1.03 0.43 0.37 -0.67 0.00 0.00 178.83 179.98 2qib h GLN 17 N 0.91 0.90 -0.75 1.46 -0.00 -1.90 -2.26 115.11 113.47 2qib h GLN 17 Ca 0.15 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.71 2qib h GLN 17 Cb 0.61 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.86 2qib h GLN 17 CO 0.04 0.62 0.37 1.25 0.00 0.00 0.00 178.83 181.11 2qib h LEU 18 N 0.92 0.97 -0.80 -2.39 5.85 -0.89 -1.12 115.31 117.86 2qib h LEU 18 Ca 0.25 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2qib h LEU 18 Cb -0.07 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 2qib h LEU 18 CO -0.05 0.83 0.51 0.40 -0.34 0.00 0.00 178.44 179.78 2qib h ILE 19 N 1.05 1.21 -0.68 4.05 2.04 -1.12 -0.74 117.51 123.32 2qib h ILE 19 Ca 0.26 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2qib h ILE 19 Cb 0.11 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 2qib h ILE 19 CO -0.03 0.21 0.38 1.23 0.00 0.00 0.00 178.15 179.94 2qib h GLY 20 N 1.08 1.00 0.93 5.37 0.00 -0.93 -0.24 103.07 110.29 2qib h GLY 20 Ca 0.29 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2qib h GLY 20 CO -0.06 0.43 0.13 -2.08 0.00 0.00 0.00 176.54 174.96 2qib h VAL 21 N 0.92 1.20 -0.51 4.60 2.07 -0.80 -0.41 116.25 123.32 2qib h VAL 21 Ca 0.24 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2qib h VAL 21 Cb 0.02 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2qib h VAL 21 CO -0.04 0.23 0.24 0.00 0.02 0.00 0.00 177.57 178.02 2qib h ALA 22 N 0.98 0.66 -0.90 1.67 0.00 -0.91 -1.55 119.26 119.21 2qib h ALA 22 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qib h ALA 22 Cb 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2qib h ALA 22 CO -0.01 0.24 0.56 1.25 0.00 0.00 0.00 179.25 181.29 2qib h LEU 23 N 0.69 1.07 0.01 0.00 5.85 -0.89 0.18 115.31 122.21 2qib h LEU 23 Ca 0.18 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2qib h LEU 23 Cb 0.14 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2qib h LEU 23 CO -0.02 0.81 -0.11 -0.78 -0.34 0.00 0.00 178.44 178.00 2qib h ASP 24 N 1.23 -0.30 -0.44 1.25 3.58 -0.46 0.13 116.42 121.42 2qib h ASP 24 Ca 0.33 0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.67 2qib h ASP 24 Cb -0.08 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2qib h ASP 24 CO -0.06 -0.15 -0.30 -0.07 -2.88 0.00 0.00 179.24 175.77 2qib h LEU 25 N -0.19 1.02 -1.38 2.28 3.38 -0.92 -2.67 115.31 116.83 2qib h LEU 25 Ca 0.04 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2qib h LEU 25 Cb 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2qib h LEU 25 CO -0.10 1.23 0.00 -0.26 0.09 0.00 0.00 178.44 179.41 2qib h PHE 26 N 0.81 0.00 -0.01 1.13 0.04 -0.54 -2.14 116.94 116.23 2qib h PHE 26 Ca 0.09 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.63 2qib h PHE 26 Cb 0.89 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.05 2qib h PHE 26 CO 0.06 0.00 -0.94 0.77 -0.60 0.00 0.00 178.31 177.60 2qib h SER 27 N 0.00 0.61 1.31 2.17 0.02 -0.41 -3.27 113.55 113.98 2qib h SER 27 Ca 0.00 -0.48 -0.14 0.00 -0.84 0.00 0.00 61.79 60.33 2qib h SER 27 Cb 0.44 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2qib h SER 27 CO 0.00 1.28 -0.70 0.03 -1.14 0.00 0.00 176.83 176.30 2qib h ARG 28 N 0.28 0.00 -3.90 3.45 3.08 -1.10 -1.89 114.38 114.30 2qib h ARG 28 Ca -0.08 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 2qib h ARG 28 Cb 1.57 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.46 2qib h ARG 28 CO 0.17 0.62 -0.51 1.03 -1.07 0.00 0.00 179.97 180.20 2qib s ARG 29 N -2.89 0.67 0.61 0.04 0.52 -0.99 -4.72 118.95 112.19 2qib s ARG 29 Ca 0.03 -0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 54.13 2qib s ARG 29 Cb 0.08 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.78 2qib s ARG 29 CO 0.77 -0.17 1.25 -1.54 0.02 0.00 0.00 175.30 175.63 2qib s SER 30 N -2.51 5.00 0.54 0.23 1.04 -1.26 -4.30 113.70 112.44 2qib s SER 30 Ca 0.01 2.51 0.33 0.00 0.48 0.00 0.00 55.95 59.27 2qib s SER 30 Cb 0.03 -2.61 1.44 0.00 0.10 0.00 0.00 66.02 64.97 2qib s SER 30 CO -0.08 -1.73 2.02 1.55 0.98 0.00 0.00 173.24 175.98 2qib h PRO 31 N 0.84 0.00 0.00 4.02 0.13 -1.93 -0.24 132.00 134.82 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 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2qib h PRO 31 CO 0.55 0.05 0.00 0.38 -0.23 0.00 0.00 178.00 178.75 2qib h ASP 32 N 0.00 0.00 -0.44 1.44 2.03 -2.02 -2.61 116.42 114.82 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 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2qib h ASP 32 CO 0.01 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.60 2qib n GLU 33 N -2.43 3.55 -4.01 4.15 1.02 -0.10 -4.88 120.64 117.94 2qib n GLU 33 Ca -0.00 -2.81 -0.29 0.00 -0.02 0.00 0.00 57.16 54.05 2qib n GLU 33 Cb 0.14 -1.86 -0.17 0.00 -0.02 0.00 0.00 31.44 29.54 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 -2.28 1.33 0.27 2.62 1.01 -0.98 -4.96 120.40 117.41 2qib s VAL 34 Ca 0.44 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2qib s VAL 34 Cb 0.32 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2qib s VAL 34 CO 0.16 0.42 0.14 -0.94 0.00 0.00 0.00 175.10 174.88 2qib s SER 35 N 1.53 5.15 0.20 3.32 1.04 -1.26 -4.98 113.70 118.69 2qib s SER 35 Ca 0.04 -0.43 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 2qib s SER 35 Cb -0.13 -1.15 0.17 0.00 0.10 0.00 0.00 66.02 65.01 2qib s SER 35 CO -0.09 -0.08 1.83 0.40 0.98 0.00 0.00 173.24 176.28 2qib h ILE 36 N 1.58 1.05 -0.85 -1.02 1.08 -1.99 -0.35 117.51 117.01 2qib h ILE 36 Ca -0.46 -0.25 0.08 0.00 -0.39 0.00 0.00 64.86 63.84 2qib h ILE 36 Cb 1.24 0.25 -0.07 0.00 -3.07 0.00 0.00 36.82 35.17 2qib h ILE 36 CO 0.61 0.14 0.51 0.44 -0.69 0.00 0.00 178.15 179.15 2qib h ASP 37 N 0.74 0.76 -0.47 1.72 3.32 -1.96 0.22 116.42 120.75 2qib h ASP 37 Ca 0.26 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 2qib h ASP 37 Cb 0.05 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2qib h ASP 37 CO -0.12 0.45 0.09 -0.33 -1.72 0.00 0.00 179.24 177.62 2qib h GLU 38 N 0.88 0.77 -0.09 3.56 5.08 -1.82 -0.13 114.58 122.82 2qib h GLU 38 Ca 0.40 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2qib h GLU 38 Cb 0.30 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qib h GLU 38 CO -0.22 0.77 0.05 0.82 -1.00 0.00 0.00 179.01 179.43 2qib h ILE 39 N 0.64 1.07 -0.27 3.13 2.04 -0.47 -1.85 117.51 121.80 2qib h ILE 39 Ca 0.15 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2qib h ILE 39 Cb 0.36 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 2qib h ILE 39 CO 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 178.15 178.13 2qib h ALA 40 N 0.97 0.15 -0.29 1.87 0.00 -0.42 -0.17 119.26 121.37 2qib h ALA 40 Ca 0.03 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2qib h ALA 40 Cb 0.06 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2qib h ALA 40 CO -0.01 -0.49 0.03 0.77 0.00 0.00 0.00 179.25 179.56 2qib h SER 41 N -0.03 -0.04 -0.06 0.00 0.02 -0.93 0.34 113.55 112.84 2qib h SER 41 Ca 0.13 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2qib h SER 41 Cb 0.23 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2qib h SER 41 CO -0.29 0.01 -0.06 0.00 -1.14 0.00 0.00 176.83 175.35 2qib h ALA 42 N 1.23 1.54 0.00 3.77 0.00 -0.96 -1.31 119.26 123.54 2qib h ALA 42 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qib h ALA 42 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qib h ALA 42 CO -0.20 0.33 -0.31 0.00 0.00 0.00 0.00 179.25 179.07 2qib n ALA 43 N -2.49 2.91 -2.47 0.00 0.00 -0.11 -4.94 120.51 113.40 2qib n ALA 43 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 2qib n ALA 43 Cb 0.23 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 1.45 0.03 3.48 0.00 0.00 -0.02 -5.03 105.19 105.10 2qib n GLY 44 Ca 0.06 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.73 1.17 0.63 -0.61 -4.36 -0.46 -5.03 121.20 109.81 2qib s ILE 45 Ca 0.10 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.38 2qib s ILE 45 Cb -0.04 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 2qib s ILE 45 CO 0.12 0.00 1.03 -0.94 0.24 0.00 0.00 174.94 175.38 2qib s SER 46 N -3.53 6.07 0.16 4.36 1.04 -1.26 -4.16 113.70 116.39 2qib s SER 46 Ca 0.34 1.32 -0.15 0.00 0.48 0.00 0.00 55.95 57.94 2qib s SER 46 Cb 0.08 -2.34 0.09 0.00 0.10 0.00 0.00 66.02 63.95 2qib s SER 46 CO 0.15 -0.95 1.74 -0.09 0.98 0.00 0.00 173.24 175.08 2qib h ARG 47 N -0.35 0.25 -0.92 4.02 2.43 -1.93 -2.08 114.38 115.80 2qib h ARG 47 Ca -0.44 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.81 2qib h ARG 47 Cb 1.20 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 2qib h ARG 47 CO 0.62 0.16 0.59 -1.35 -1.51 0.00 0.00 179.97 178.49 2qib h PRO 48 N 0.26 0.88 0.00 0.20 0.11 -1.99 -1.65 132.00 129.80 2qib h PRO 48 Ca 0.18 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 2qib h PRO 48 Cb 0.19 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 2qib h PRO 48 CO -0.21 0.58 -0.31 1.25 -0.21 0.00 0.00 178.00 179.10 2qib h LEU 49 N 0.91 0.00 -0.45 2.35 5.85 -1.77 -0.22 115.31 121.99 2qib h LEU 49 Ca 0.43 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.12 2qib h LEU 49 Cb 0.43 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2qib h LEU 49 CO -0.19 0.31 0.16 0.58 -0.34 0.00 0.00 178.44 178.96 2qib h VAL 50 N 0.00 1.21 0.00 1.05 2.07 -0.98 -2.85 116.25 116.75 2qib h VAL 50 Ca -0.00 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2qib h VAL 50 Cb 0.57 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2qib h VAL 50 CO 0.04 0.25 -0.12 1.88 0.02 0.00 0.00 177.57 179.64 2qib h TYR 51 N 0.58 0.00 -0.55 1.57 0.05 -0.86 -0.72 116.97 117.04 2qib h TYR 51 Ca 0.15 0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.00 2qib h TYR 51 Cb 0.23 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.91 2qib h TYR 51 CO 0.01 0.12 0.23 1.25 -1.05 0.00 0.00 178.16 178.72 2qib h HIS 52 N 0.00 0.40 0.12 4.88 2.76 -0.84 -3.20 115.15 119.27 2qib h HIS 52 Ca -0.00 0.03 -0.32 0.00 -2.20 0.00 0.00 60.37 57.88 2qib h HIS 52 Cb 0.48 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 2qib h HIS 52 CO 0.00 0.15 -1.62 1.88 -1.30 0.00 0.00 177.93 177.04 2qib h TYR 53 N 0.43 0.46 -3.33 5.26 0.05 -1.31 -3.46 116.97 115.07 2qib h TYR 53 Ca 0.26 -0.34 -0.54 0.00 0.05 0.00 0.00 58.73 58.16 2qib h TYR 53 Cb 0.26 -0.02 -0.34 0.00 1.01 0.00 0.00 36.73 37.64 2qib h TYR 53 CO -0.14 1.43 -0.82 -0.06 -1.05 0.00 0.00 178.16 177.52 2qib s PHE 54 N -2.60 1.64 0.31 4.88 0.08 -0.35 -5.03 117.98 116.91 2qib s PHE 54 Ca -0.11 -0.70 0.06 0.00 0.12 0.00 0.00 56.93 56.30 2qib s PHE 54 Cb 0.07 -1.22 0.73 0.00 -0.57 0.00 0.00 43.02 42.03 2qib s PHE 54 CO 0.84 -0.38 1.79 -1.00 -0.10 0.00 0.00 175.22 176.37 2qib h PRO 55 N 7.31 0.76 0.00 0.24 0.13 -1.87 -3.36 132.00 135.21 2qib h PRO 55 Ca -0.30 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 2qib h PRO 55 Cb 1.18 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 2qib h PRO 55 CO 0.47 0.50 0.28 0.41 -0.23 0.00 0.00 178.00 179.43 2qib n GLY 56 N -1.34 1.10 0.31 1.56 0.00 -1.26 -4.97 105.19 100.59 2qib n GLY 56 Ca 0.22 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 2qib n GLY 56 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qib h LYS 57 N 0.00 0.95 -0.66 1.61 3.64 -2.00 -2.80 116.57 117.31 2qib h LYS 57 Ca -0.24 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 2qib h LYS 57 Cb 0.93 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2qib h LYS 57 CO 0.31 0.63 0.30 1.25 -2.27 0.00 0.00 179.45 179.67 2qib h LEU 58 N 0.98 0.88 -1.28 5.20 5.85 -1.99 0.04 115.31 125.00 2qib h LEU 58 Ca 0.35 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2qib h LEU 58 Cb 0.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2qib h LEU 58 CO -0.14 0.78 0.19 0.77 -0.34 0.00 0.00 178.44 179.70 2qib h SER 59 N 0.92 0.62 -0.10 1.25 4.64 -1.92 -0.15 113.55 118.81 2qib h SER 59 Ca 0.22 -0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 2qib h SER 59 Cb 0.15 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2qib h SER 59 CO -0.02 0.56 -0.59 0.25 -0.87 0.00 0.00 176.83 176.16 2qib h LEU 60 N 0.68 0.70 -0.65 5.97 5.85 -1.29 -1.84 115.31 124.72 2qib h LEU 60 Ca 0.16 -0.65 0.14 0.00 0.84 0.00 0.00 57.88 58.37 2qib h LEU 60 Cb 0.14 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 40.86 2qib h LEU 60 CO -0.02 1.24 0.07 0.22 -0.34 0.00 0.00 178.44 179.61 2qib h TYR 61 N 0.21 0.08 -0.37 1.25 3.20 -0.74 -0.45 116.97 120.15 2qib h TYR 61 Ca -0.04 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2qib h TYR 61 Cb 1.24 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 2qib h TYR 61 CO 0.11 -0.13 -0.19 0.93 -1.64 0.00 0.00 178.16 177.24 2qib h GLU 62 N 0.18 0.69 -0.51 1.82 5.08 -0.95 0.44 114.58 121.33 2qib h GLU 62 Ca 0.35 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2qib h GLU 62 Cb 0.57 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2qib h GLU 62 CO -0.51 0.84 0.06 0.00 -1.00 0.00 0.00 179.01 178.40 2qib h ALA 63 N 1.17 0.68 -0.35 3.43 0.00 -0.88 0.08 119.26 123.41 2qib h ALA 63 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2qib h ALA 63 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qib h ALA 63 CO 0.05 0.44 0.13 0.00 0.00 0.00 0.00 179.25 179.87 2qib h ALA 64 N 0.97 0.45 -0.68 0.00 0.00 -0.81 -1.99 119.26 117.20 2qib h ALA 64 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qib h ALA 64 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2qib h ALA 64 CO 0.01 0.06 0.34 1.25 0.00 0.00 0.00 179.25 180.92 2qib h LEU 65 N 0.41 0.86 -0.66 0.00 5.85 -0.72 -1.06 115.31 119.98 2qib h LEU 65 Ca 0.11 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2qib h LEU 65 Cb 0.20 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2qib h LEU 65 CO -0.01 0.71 0.31 -0.61 -0.34 0.00 0.00 178.44 178.51 2qib h GLN 66 N 0.96 0.95 -0.17 1.25 4.15 -0.68 0.21 115.11 121.78 2qib h GLN 66 Ca 0.24 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2qib h GLN 66 Cb 0.07 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2qib h GLN 66 CO -0.03 0.76 0.11 -0.09 -1.93 0.00 0.00 178.83 177.64 2qib h ARG 67 N 0.91 0.23 -0.55 1.69 2.43 -0.87 -1.54 114.38 116.67 2qib h ARG 67 Ca 0.22 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2qib h ARG 67 Cb 0.13 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2qib h ARG 67 CO -0.03 0.18 0.26 0.00 -1.51 0.00 0.00 179.97 178.88 2qib h ALA 68 N 1.03 0.71 -0.73 2.80 0.00 -0.84 -1.98 119.26 120.26 2qib h ALA 68 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qib h ALA 68 Cb 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2qib h ALA 68 CO -0.01 0.28 0.46 0.77 0.00 0.00 0.00 179.25 180.75 2qib h SER 69 N 0.75 0.86 -0.78 0.00 0.02 -0.44 -0.64 113.55 113.31 2qib h SER 69 Ca 0.19 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2qib h SER 69 Cb 0.12 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 2qib h SER 69 CO -0.02 0.64 0.35 0.44 -1.14 0.00 0.00 176.83 177.09 2qib h ASP 70 N 0.99 1.05 0.39 3.07 3.32 -1.11 -1.02 116.42 123.11 2qib h ASP 70 Ca 0.26 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2qib h ASP 70 Cb -0.08 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 2qib h ASP 70 CO -0.05 0.91 -0.22 -0.78 -1.72 0.00 0.00 179.24 177.37 2qib h ASP 71 N 1.11 -0.55 -0.24 6.45 3.58 -0.89 -1.57 116.42 124.30 2qib h ASP 71 Ca 0.26 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 2qib h ASP 71 Cb 0.16 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2qib h ASP 71 CO -0.03 -0.36 0.15 0.25 -2.88 0.00 0.00 179.24 176.37 2qib h LEU 72 N -0.58 0.29 -0.99 2.28 5.85 -1.05 -1.20 115.31 119.92 2qib h LEU 72 Ca -0.04 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2qib h LEU 72 Cb 0.47 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 2qib h LEU 72 CO 0.05 0.25 0.64 0.00 -0.34 0.00 0.00 178.44 179.04 2qib h ALA 73 N 1.06 1.38 -0.28 1.25 0.00 -1.16 -0.47 119.26 121.04 2qib h ALA 73 Ca 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2qib h ALA 73 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2qib h ALA 73 CO -0.02 0.43 -0.12 -0.44 0.00 0.00 0.00 179.25 179.10 2qib h ASP 74 N 1.16 0.45 0.56 0.00 3.32 -0.88 -1.93 116.42 119.10 2qib h ASP 74 Ca 0.43 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2qib h ASP 74 Cb 0.17 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2qib h ASP 74 CO -0.17 0.61 0.00 0.03 -1.72 0.00 0.00 179.24 177.98 2qib h ARG 75 N 0.44 0.00 0.00 3.56 3.08 0.15 -2.39 114.38 119.22 2qib h ARG 75 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2qib h ARG 75 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2qib h ARG 75 CO 0.03 0.00 0.00 0.74 -1.07 0.00 0.00 179.97 179.67 2qib h PHE 76 N 0.00 0.00 -2.77 3.04 0.04 -1.08 -3.45 116.94 112.72 2qib h PHE 76 Ca 0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 2qib h PHE 76 Cb 0.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2qib h PHE 76 CO 0.00 0.00 0.97 0.08 -0.60 0.00 0.00 178.31 178.76 2qib s VAL 77 N -3.25 3.79 -0.06 -0.55 1.01 -0.90 -4.98 120.40 115.46 2qib s VAL 77 Ca 0.07 1.03 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 2qib s VAL 77 Cb 0.10 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.85 2qib s VAL 77 CO 0.55 -0.06 0.13 -0.70 0.00 0.00 0.00 175.10 175.02 2qib s GLU 78 N 3.41 0.09 0.40 2.72 2.56 -1.26 -5.07 118.70 121.55 2qib s GLU 78 Ca 0.66 0.32 -0.27 0.00 0.00 0.00 0.00 54.97 55.68 2qib s GLU 78 Cb -0.30 -0.14 -0.10 0.00 2.00 0.00 0.00 34.13 35.59 2qib s GLU 78 CO 0.25 -0.14 1.38 -2.30 -0.56 0.00 0.00 175.26 173.89 2qib n PRO 79 N 3.98 2.27 -2.47 4.30 -0.02 -1.26 -4.87 135.00 136.92 2qib n PRO 79 Ca -0.24 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.61 2qib n PRO 79 Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.20 3.27 -3.74 -0.52 1.74 -1.26 -4.89 116.66 111.46 2qib n ARG 80 Ca 0.04 -3.37 -0.12 0.00 -0.77 0.00 0.00 57.85 53.64 2qib n ARG 80 Cb 0.39 -3.21 -0.12 0.00 -1.02 0.00 0.00 32.46 28.51 2qib n ARG 80 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qib s GLN 81 N 2.47 0.31 0.66 5.56 0.74 -1.26 -5.14 119.66 123.00 2qib s GLN 81 Ca 0.46 0.54 0.00 0.00 0.05 0.00 0.00 55.36 56.41 2qib s GLN 81 Cb 0.05 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.19 2qib s GLN 81 CO 0.01 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 2qib n GLY 82 N 3.66 -2.11 3.72 2.59 0.00 -1.26 -4.86 105.19 106.93 2qib n GLY 82 Ca -0.19 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.55 2.10 -0.19 1.61 -0.02 -1.26 -4.92 135.00 131.76 2qib n PRO 83 Ca 0.00 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.13 2qib n PRO 83 Cb 0.02 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.08 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 2.31 1.04 -0.58 2.45 3.38 -1.91 -3.06 115.31 118.95 2qib h LEU 84 Ca -0.48 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.19 2qib h LEU 84 Cb 1.28 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2qib h LEU 84 CO 0.61 1.13 0.33 1.23 0.09 0.00 0.00 178.44 181.84 2qib h GLY 85 N 0.95 0.83 1.43 0.83 0.00 -1.97 -1.63 103.07 103.50 2qib h GLY 85 Ca 0.15 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.25 2qib h GLY 85 CO 0.04 0.18 0.35 0.00 0.00 0.00 0.00 176.54 177.12 2qib h ALA 86 N 1.28 1.67 -0.14 3.60 0.00 -1.94 0.53 119.26 124.26 2qib h ALA 86 Ca 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2qib h ALA 86 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qib h ALA 86 CO -0.13 0.29 0.02 0.00 0.00 0.00 0.00 179.25 179.44 2qib h ARG 87 N 0.68 0.23 -0.63 0.00 3.08 -1.24 -1.91 114.38 114.58 2qib h ARG 87 Ca 0.20 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 2qib h ARG 87 Cb -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2qib h ARG 87 CO -0.05 0.41 0.07 1.25 -1.07 0.00 0.00 179.97 180.58 2qib h LEU 88 N 0.01 1.03 -0.87 3.04 5.85 -0.83 -2.22 115.31 121.31 2qib h LEU 88 Ca 0.04 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.53 2qib h LEU 88 Cb 0.29 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 2qib h LEU 88 CO 0.00 1.04 0.56 0.25 -0.34 0.00 0.00 178.44 179.95 2qib h LEU 89 N 0.97 0.91 -0.49 2.25 5.85 -0.81 -2.23 115.31 121.76 2qib h LEU 89 Ca 0.19 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2qib h LEU 89 Cb 0.47 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2qib h LEU 89 CO 0.02 0.61 0.28 0.03 -0.34 0.00 0.00 178.44 179.04 2qib h ARG 90 N 1.06 0.67 -1.91 1.25 3.08 -1.05 -1.56 114.38 115.92 2qib h ARG 90 Ca 0.36 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2qib h ARG 90 Cb 0.06 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2qib h ARG 90 CO -0.14 0.51 0.00 0.28 -1.07 0.00 0.00 179.97 179.55 2qib n VAL 91 N -4.69 0.16 0.00 2.04 0.31 -0.84 -2.56 118.33 112.75 2qib n VAL 91 Ca 0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qib n VAL 91 Cb 0.07 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 1.21 0.00 0.26 2.92 0.00 -0.59 -0.39 105.19 108.60 2qib n GLY 93 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.69 -0.02 1.61 3.08 -1.79 -1.51 114.38 116.44 2qib h ARG 94 Ca 0.00 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 2qib h ARG 94 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2qib h ARG 94 CO 0.00 0.83 0.01 -0.92 -1.07 0.00 0.00 179.97 178.81 2qib h TYR 95 N 0.61 0.02 -0.24 3.04 3.20 -1.01 -0.59 116.97 122.00 2qib h TYR 95 Ca 0.09 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 2qib h TYR 95 Cb 0.65 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2qib h TYR 95 CO 0.03 0.16 -0.23 0.74 -1.64 0.00 0.00 178.16 177.22 2qib h PHE 96 N -0.12 0.50 -0.15 -3.82 -1.00 -1.80 -0.15 116.94 110.40 2qib h PHE 96 Ca 0.01 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.72 2qib h PHE 96 Cb 0.14 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 2qib h PHE 96 CO -0.03 0.65 -0.08 -0.44 -1.61 0.00 0.00 178.31 176.80 2qib h ASP 97 N 0.40 -0.27 -0.28 2.17 3.32 -1.14 0.74 116.42 121.37 2qib h ASP 97 Ca 0.06 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2qib h ASP 97 Cb 0.62 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2qib h ASP 97 CO 0.04 -0.11 0.18 0.15 -1.72 0.00 0.00 179.24 177.78 2qib h PHE 98 N -0.07 0.33 -0.34 4.55 3.57 -0.45 -1.16 116.94 123.37 2qib h PHE 98 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2qib h PHE 98 Cb 0.20 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2qib h PHE 98 CO -0.22 0.21 0.21 0.28 -2.23 0.00 0.00 178.31 176.56 2qib h VAL 99 N 0.36 1.11 0.11 1.41 2.07 -0.80 -1.08 116.25 119.43 2qib h VAL 99 Ca 0.10 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2qib h VAL 99 Cb -0.03 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2qib h VAL 99 CO -0.03 0.10 -0.41 -0.78 0.02 0.00 0.00 177.57 176.47 2qib h ASP 100 N 0.45 -1.20 -0.51 0.57 3.58 -0.69 0.14 116.42 118.75 2qib h ASP 100 Ca 0.12 0.14 0.10 0.00 0.42 0.00 0.00 57.03 57.81 2qib h ASP 100 Cb -0.02 0.45 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2qib h ASP 100 CO -0.02 -0.48 0.35 -0.33 -2.88 0.00 0.00 179.24 175.87 2qib h GLU 101 N -0.64 0.25 -0.15 0.28 5.08 -0.82 -2.25 114.58 116.32 2qib h GLU 101 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2qib h GLU 101 Cb 0.67 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2qib h GLU 101 CO -0.24 0.17 0.00 0.72 -1.00 0.00 0.00 179.01 178.65 2qib n HIS 102 N -4.46 0.51 -0.05 4.33 8.25 -0.44 -4.82 115.22 118.54 2qib n HIS 102 Ca 0.08 -0.88 -0.02 0.00 -0.26 0.00 0.00 57.72 56.64 2qib n HIS 102 Cb 0.39 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 1.04 -2.22 0.81 -1.41 0.00 -0.10 0.88 103.07 102.07 2qib h GLY 103 Ca 0.00 1.02 0.04 0.00 0.00 0.00 0.00 47.33 48.39 2qib h GLY 103 CO 0.11 -0.80 0.51 -2.55 0.00 0.00 0.00 176.54 173.82 2qib h PRO 104 N -0.02 0.94 -0.51 4.80 0.11 -1.83 0.57 132.00 136.05 2qib h PRO 104 Ca 0.02 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 2qib h PRO 104 Cb 0.08 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 2qib h PRO 104 CO -0.13 0.62 -0.11 0.78 -0.21 0.00 0.00 178.00 178.95 2qib h GLY 105 N 0.97 1.06 0.98 -0.55 0.00 -0.87 -1.43 103.07 103.22 2qib h GLY 105 Ca 0.34 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2qib h GLY 105 CO -0.14 0.80 -0.02 -2.75 0.00 0.00 0.00 176.54 174.42 2qib h PHE 106 N 0.85 -0.06 -0.22 5.60 3.57 -0.29 0.12 116.94 126.50 2qib h PHE 106 Ca 0.13 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2qib h PHE 106 Cb 0.68 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 2qib h PHE 106 CO 0.05 -0.01 -0.03 0.77 -2.23 0.00 0.00 178.31 176.85 2qib h SER 107 N -0.09 -0.15 -0.76 0.41 0.02 -0.85 -2.73 113.55 109.40 2qib h SER 107 Ca -0.01 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2qib h SER 107 Cb 0.07 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2qib h SER 107 CO 0.01 -0.05 0.27 0.00 -1.14 0.00 0.00 176.83 175.92 2qib h ALA 108 N 1.21 0.99 0.00 3.77 0.00 -1.09 -1.70 119.26 122.44 2qib h ALA 108 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qib h ALA 108 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qib h ALA 108 CO -0.21 0.65 0.00 -0.11 0.00 0.00 0.00 179.25 179.58 2qib n LEU 109 N -4.28 0.17 0.00 0.00 7.94 0.01 -5.05 117.00 115.80 2qib n LEU 109 Ca 0.06 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2qib n LEU 109 Cb 0.21 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2qib n LEU 109 CO 0.41 0.04 0.00 0.54 -1.11 0.00 0.00 177.39 177.27 2qib n ARG 111 N 0.39 0.00 -0.80 1.96 1.74 -0.64 -5.10 116.66 114.21 2qib n ARG 111 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2qib n ARG 111 Cb 0.04 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 31.72 2qib n ARG 111 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2qib s SER 118 N 0.00 0.90 0.32 0.55 1.04 -1.26 -5.21 113.70 110.04 2qib s SER 118 Ca 0.00 1.07 0.12 0.00 0.48 0.00 0.00 55.95 57.62 2qib s SER 118 Cb 0.00 -1.62 0.51 0.00 0.10 0.00 0.00 66.02 65.02 2qib s SER 118 CO 0.00 -4.19 1.70 0.71 0.98 0.00 0.00 173.24 172.44 2qib h THR 119 N -2.62 1.33 -0.57 2.02 1.35 -2.05 -0.72 112.91 111.66 2qib h THR 119 Ca -0.53 -1.78 -0.03 0.00 -0.55 0.00 0.00 66.41 63.53 2qib h THR 119 Cb 1.33 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 69.69 2qib h THR 119 CO 0.44 0.50 0.24 0.74 -0.25 0.00 0.00 175.52 177.20 2qib h THR 120 N 0.00 1.22 -0.26 6.82 2.02 -2.04 -0.45 112.91 120.22 2qib h THR 120 Ca -0.01 -0.66 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 2qib h THR 120 Cb 0.93 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2qib h THR 120 CO 0.07 0.26 -0.43 0.71 0.37 0.00 0.00 175.52 176.49 2qib h THR 121 N 0.77 1.30 -0.58 3.16 1.35 -1.86 -1.20 112.91 115.85 2qib h THR 121 Ca 0.19 -1.61 0.04 0.00 -0.55 0.00 0.00 66.41 64.48 2qib h THR 121 Cb 0.17 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 2qib h THR 121 CO -0.02 0.51 0.32 0.78 -0.25 0.00 0.00 175.52 176.87 2qib h ASN 122 N 0.53 0.50 -0.95 5.36 2.35 -1.03 -0.68 115.58 121.65 2qib h ASN 122 Ca 0.04 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2qib h ASN 122 Cb 0.96 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 39.20 2qib h ASN 122 CO 0.09 0.34 0.59 0.00 -1.65 0.00 0.00 177.43 176.80 2qib h ALA 123 N 1.29 1.21 -0.27 -0.83 0.00 -0.80 0.28 119.26 120.13 2qib h ALA 123 Ca 0.25 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2qib h ALA 123 Cb 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2qib h ALA 123 CO -0.14 0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 179.64 2qib h LEU 124 N 1.30 0.51 -0.32 0.00 3.38 -0.67 -1.11 115.31 118.40 2qib h LEU 124 Ca 0.34 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qib h LEU 124 Cb -0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qib h LEU 124 CO -0.07 0.74 0.21 0.58 0.09 0.00 0.00 178.44 179.99 2qib h VAL 125 N 0.27 1.10 -0.97 1.22 2.07 -0.96 -2.31 116.25 116.67 2qib h VAL 125 Ca 0.07 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2qib h VAL 125 Cb 0.51 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 2qib h VAL 125 CO 0.02 0.09 0.61 0.44 0.02 0.00 0.00 177.57 178.75 2qib h ASP 126 N 0.43 0.92 -0.16 0.57 3.32 -0.85 -1.65 116.42 118.99 2qib h ASP 126 Ca 0.12 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2qib h ASP 126 Cb -0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2qib h ASP 126 CO -0.02 0.53 0.01 0.77 -1.72 0.00 0.00 179.24 178.80 2qib h SER 127 N 1.01 0.36 -0.25 6.45 4.64 -0.66 -0.34 113.55 124.77 2qib h SER 127 Ca 0.46 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 2qib h SER 127 Cb 0.36 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2qib h SER 127 CO -0.23 0.41 -0.14 0.58 -0.87 0.00 0.00 176.83 176.58 2qib h VAL 128 N 0.38 1.30 -0.78 0.95 2.07 -0.94 -0.91 116.25 118.33 2qib h VAL 128 Ca 0.09 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2qib h VAL 128 Cb 0.24 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2qib h VAL 128 CO 0.00 0.39 0.51 0.03 0.02 0.00 0.00 177.57 178.52 2qib h ARG 129 N 0.26 1.03 -0.77 1.57 3.08 -0.83 -1.70 114.38 117.02 2qib h ARG 129 Ca 0.05 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2qib h ARG 129 Cb 0.65 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2qib h ARG 129 CO 0.04 0.70 0.34 0.37 -1.07 0.00 0.00 179.97 180.34 2qib h GLN 130 N 1.06 1.13 -0.63 0.04 5.75 -1.01 -1.78 115.11 119.66 2qib h GLN 130 Ca 0.28 -0.19 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2qib h GLN 130 Cb -0.10 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.22 2qib h GLN 130 CO -0.06 0.90 0.41 0.00 -2.65 0.00 0.00 178.83 177.43 2qib h ALA 131 N 1.17 0.81 -0.25 3.38 0.00 -0.71 -0.89 119.26 122.78 2qib h ALA 131 Ca 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2qib h ALA 131 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qib h ALA 131 CO -0.03 0.19 0.15 0.00 0.00 0.00 0.00 179.25 179.56 2qib h ALA 132 N 1.25 0.31 -0.28 0.00 0.00 -1.09 -1.53 119.26 117.92 2qib h ALA 132 Ca 0.24 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2qib h ALA 132 Cb -0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2qib h ALA 132 CO -0.08 -0.23 -0.23 -0.92 0.00 0.00 0.00 179.25 177.79 2qib h TYR 133 N 0.32 -0.62 -0.34 0.00 3.20 -0.95 -0.54 116.97 118.04 2qib h TYR 133 Ca 0.09 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2qib h TYR 133 Cb -0.02 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 2qib h TYR 133 CO -0.07 -0.31 0.13 0.28 -1.64 0.00 0.00 178.16 176.55 2qib h VAL 134 N -0.22 0.91 -0.59 1.81 2.07 -1.02 -1.55 116.25 117.66 2qib h VAL 134 Ca 0.15 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2qib h VAL 134 Cb 0.45 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2qib h VAL 134 CO -0.41 0.05 0.20 1.56 0.02 0.00 0.00 177.57 179.00 2qib h GLN 135 N 0.28 0.90 -0.40 1.57 1.08 -1.00 -0.83 115.11 116.70 2qib h GLN 135 Ca 0.15 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2qib h GLN 135 Cb 0.12 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2qib h GLN 135 CO -0.15 0.79 0.25 0.82 -0.95 0.00 0.00 178.83 179.59 2qib h ILE 136 N 0.82 1.11 -0.48 2.54 2.04 -0.77 -2.10 117.51 120.68 2qib h ILE 136 Ca 0.19 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2qib h ILE 136 Cb 0.26 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2qib h ILE 136 CO -0.01 0.11 -0.00 -0.07 0.00 0.00 0.00 178.15 178.18 2qib h LEU 137 N 0.53 0.76 -0.31 1.44 3.38 -1.18 -1.62 115.31 118.31 2qib h LEU 137 Ca 0.14 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2qib h LEU 137 Cb -0.03 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 2qib h LEU 137 CO -0.03 0.83 -0.14 -1.28 0.09 0.00 0.00 178.44 177.91 2qib h SER 138 N 0.74 -0.46 -0.08 -0.43 0.87 -0.82 -0.73 113.55 112.64 2qib h SER 138 Ca 0.14 0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 2qib h SER 138 Cb 0.45 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2qib h SER 138 CO 0.02 -0.17 -0.27 0.45 -0.53 0.00 0.00 176.83 176.33 2qib h HIS 139 N -0.09 0.59 0.00 2.24 3.86 -0.94 -1.83 115.15 118.99 2qib h HIS 139 Ca 0.16 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2qib h HIS 139 Cb 0.32 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2qib h HIS 139 CO -0.34 0.74 0.00 1.28 0.86 0.00 0.00 177.93 180.47 2qib n LEU 140 N -4.11 0.00 -3.08 2.43 4.77 -0.65 -4.90 117.00 111.47 2qib n LEU 140 Ca -0.00 0.41 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 2qib n LEU 140 Cb 0.42 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2qib n LEU 140 CO 0.43 -0.12 0.20 -0.67 -1.33 0.00 0.00 177.39 175.89 2qib n ASP 141 N -1.41 -5.31 -4.17 -1.43 -0.08 -0.36 -5.00 116.55 98.80 2qib n ASP 141 Ca 0.07 -0.46 -0.33 0.00 -1.51 0.00 0.00 54.79 52.57 2qib n ASP 141 Cb 0.21 -4.29 -0.16 0.00 2.34 0.00 0.00 41.12 39.22 2qib n ASP 141 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2qib s VAL 142 N -3.27 2.14 -0.08 5.18 1.01 -0.74 -4.99 120.40 119.65 2qib s VAL 142 Ca 0.44 -0.94 0.16 0.00 0.00 0.00 0.00 61.98 61.64 2qib s VAL 142 Cb -0.19 -1.87 -0.23 0.00 0.00 0.00 0.00 36.38 34.08 2qib s VAL 142 CO 0.61 0.54 0.23 0.35 0.00 0.00 0.00 175.10 176.83 2qib n THR 143 N 4.23 0.47 -3.55 3.92 -2.24 -1.26 -4.51 114.28 111.34 2qib n THR 143 Ca -0.20 -0.51 -0.27 0.00 -2.27 0.00 0.00 64.05 60.80 2qib n THR 143 Cb 0.51 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.30 1.93 -2.12 -0.78 -0.58 -1.26 -5.09 120.64 110.43 2qib n GLU 144 Ca -0.13 -4.35 -0.42 0.00 -0.42 0.00 0.00 57.16 51.85 2qib n GLU 144 Cb 0.69 -2.11 -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 -1.82 4.31 0.87 3.49 0.04 -1.26 -4.99 135.00 135.63 2qib s PRO 145 Ca 0.34 2.14 -0.11 0.00 0.04 0.00 0.00 61.00 63.41 2qib s PRO 145 Cb 0.08 -3.21 0.12 0.00 0.04 0.00 0.00 34.50 31.53 2qib s PRO 145 CO -0.09 -0.43 1.14 -2.14 0.04 0.00 0.00 177.00 175.53 2qib s PRO 146 N 0.72 1.36 0.25 0.56 0.02 -1.26 -4.73 135.00 131.92 2qib s PRO 146 Ca 0.63 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 63.13 2qib s PRO 146 Cb -0.38 -1.77 0.50 0.00 0.02 0.00 0.00 34.50 32.86 2qib s PRO 146 CO 0.33 -2.37 1.72 0.00 -0.33 0.00 0.00 177.00 176.35 2qib h ALA 147 N -1.57 1.10 -0.28 -1.55 0.00 -1.99 -1.41 119.26 113.55 2qib h ALA 147 Ca -0.44 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2qib h ALA 147 Cb 1.26 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2qib h ALA 147 CO 0.44 -0.25 -0.19 0.00 0.00 0.00 0.00 179.25 179.25 2qib h ARG 148 N 0.41 0.51 -0.10 0.00 3.08 -1.99 -0.96 114.38 115.33 2qib h ARG 148 Ca 0.44 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 2qib h ARG 148 Cb 0.70 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 2qib h ARG 148 CO -0.44 0.68 -0.15 1.25 -1.07 0.00 0.00 179.97 180.25 2qib h LEU 149 N 0.46 0.31 -0.52 3.04 5.85 -1.69 -1.63 115.31 121.13 2qib h LEU 149 Ca 0.08 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.36 2qib h LEU 149 Cb 0.60 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 2qib h LEU 149 CO 0.04 0.77 0.13 -0.08 -0.34 0.00 0.00 178.44 178.97 2qib h GLU 150 N -0.15 0.28 -0.58 1.25 4.81 -1.07 -0.53 114.58 118.59 2qib h GLU 150 Ca 0.01 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2qib h GLU 150 Cb 0.70 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2qib h GLU 150 CO 0.03 0.18 0.14 1.25 -0.73 0.00 0.00 179.01 179.89 2qib h LEU 151 N 0.28 0.87 -0.38 1.64 6.46 -1.12 -0.62 115.31 122.44 2qib h LEU 151 Ca 0.26 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2qib h LEU 151 Cb 0.34 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2qib h LEU 151 CO -0.31 0.87 0.25 0.58 -0.62 0.00 0.00 178.44 179.21 2qib h VAL 152 N 0.83 1.10 -0.04 1.05 2.07 -0.79 0.12 116.25 120.59 2qib h VAL 152 Ca 0.18 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2qib h VAL 152 Cb 0.34 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2qib h VAL 152 CO 0.00 0.10 -0.01 0.58 0.02 0.00 0.00 177.57 178.27 2qib h VAL 153 N 0.51 1.27 -0.47 2.57 2.07 -0.91 0.17 116.25 121.46 2qib h VAL 153 Ca 0.14 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2qib h VAL 153 Cb -0.05 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2qib h VAL 153 CO -0.03 0.23 0.09 0.03 0.02 0.00 0.00 177.57 177.91 2qib h ARG 154 N -0.25 0.73 -0.12 1.57 3.08 -1.08 -1.10 114.38 117.20 2qib h ARG 154 Ca 0.01 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 2qib h ARG 154 Cb 0.37 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2qib h ARG 154 CO 0.00 0.68 -0.58 0.66 -1.07 0.00 0.00 179.97 179.66 2qib h SER 155 N 0.70 0.45 -0.55 7.04 4.64 -0.80 -1.87 113.55 123.16 2qib h SER 155 Ca 0.15 -0.25 -0.10 0.00 -0.47 0.00 0.00 61.79 61.12 2qib h SER 155 Cb 0.30 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2qib h SER 155 CO 0.00 0.93 -0.06 -0.25 -0.87 0.00 0.00 176.83 176.59 2qib h TRP 156 N 0.30 1.12 -0.64 4.77 7.01 -0.44 -0.77 115.95 127.30 2qib h TRP 156 Ca -0.00 -0.21 0.06 0.00 2.11 0.00 0.00 58.89 60.84 2qib h TRP 156 Cb 1.10 -0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.83 2qib h TRP 156 CO 0.03 1.02 0.34 0.82 -2.79 0.00 0.00 178.44 177.87 2qib h ILE 157 N 0.89 0.95 -0.79 2.65 2.04 -0.90 0.26 117.51 122.61 2qib h ILE 157 Ca 0.15 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2qib h ILE 157 Cb 0.62 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2qib h ILE 157 CO 0.04 0.12 0.44 0.28 0.00 0.00 0.00 178.15 179.02 2qib h SER 158 N 0.63 0.98 -0.54 1.72 0.02 -0.93 -0.91 113.55 114.53 2qib h SER 158 Ca 0.29 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2qib h SER 158 Cb 0.19 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2qib h SER 158 CO -0.19 0.79 0.35 0.25 -1.14 0.00 0.00 176.83 176.89 2qib h LEU 159 N 1.09 0.60 -0.52 5.07 5.85 0.03 -0.29 115.31 127.13 2qib h LEU 159 Ca 0.28 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2qib h LEU 159 Cb 0.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2qib h LEU 159 CO -0.05 0.43 0.12 0.00 -0.34 0.00 0.00 178.44 178.60 2qib h ALA 160 N 1.21 0.69 -0.05 1.25 0.00 -0.10 0.06 119.26 122.31 2qib h ALA 160 Ca 0.20 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qib h ALA 160 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2qib h ALA 160 CO -0.05 0.40 -0.03 1.49 0.00 0.00 0.00 179.25 181.06 2qib h GLU 161 N 0.74 -0.02 -0.61 0.00 4.81 -1.00 -1.72 114.58 116.77 2qib h GLU 161 Ca 0.16 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2qib h GLU 161 Cb 0.36 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 2qib h GLU 161 CO 0.00 -0.02 0.38 1.03 -0.73 0.00 0.00 179.01 179.68 2qib h SER 162 N -0.02 0.63 -0.39 1.04 0.87 -0.84 -1.71 113.55 113.13 2qib h SER 162 Ca 0.03 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2qib h SER 162 Cb 0.07 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2qib h SER 162 CO -0.06 0.45 0.16 0.74 -0.53 0.00 0.00 176.83 177.59 2qib h THR 163 N 0.76 1.19 -0.50 2.23 2.02 -0.86 -0.14 112.91 117.60 2qib h THR 163 Ca 0.24 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 2qib h THR 163 Cb -0.01 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2qib h THR 163 CO -0.09 0.21 0.16 0.00 0.37 0.00 0.00 175.52 176.17 2qib h ALA 164 N 1.01 0.65 -0.68 6.16 0.00 -1.05 0.73 119.26 126.08 2qib h ALA 164 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2qib h ALA 164 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2qib h ALA 164 CO -0.01 0.30 0.24 -0.07 0.00 0.00 0.00 179.25 179.70 2qib h LEU 165 N 0.67 0.97 -0.65 0.00 3.38 -0.98 -2.13 115.31 116.58 2qib h LEU 165 Ca 0.16 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2qib h LEU 165 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2qib h LEU 165 CO -0.01 0.91 -0.15 -0.07 0.09 0.00 0.00 178.44 179.21 2qib h LEU 166 N 0.98 0.91 -0.58 1.67 3.38 -0.85 -2.89 115.31 117.93 2qib h LEU 166 Ca 0.22 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2qib h LEU 166 Cb 0.26 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2qib h LEU 166 CO -0.01 1.05 0.31 -0.25 0.09 0.00 0.00 178.44 179.63 2qib h TRP 167 N 0.80 0.57 0.00 1.13 7.01 -0.47 -2.64 115.95 122.35 2qib h TRP 167 Ca 0.12 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 2qib h TRP 167 Cb 0.68 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 2qib h TRP 167 CO 0.04 0.28 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.87 2qib h LEU 168 N 0.59 0.00 -6.93 0.65 3.38 -1.18 -1.00 115.31 110.82 2qib h LEU 168 Ca 0.26 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.53 2qib h LEU 168 Cb 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2qib h LEU 168 CO -0.17 0.03 2.58 -0.67 0.09 0.00 0.00 178.44 180.30 2qib n ASP 169 N -3.59 4.48 0.00 -0.43 -0.08 -1.00 -4.19 116.55 111.73 2qib n ASP 169 Ca -0.03 -2.90 0.00 0.00 -1.51 0.00 0.00 54.79 50.36 2qib n ASP 169 Cb 0.12 -1.68 0.00 0.00 2.34 0.00 0.00 41.12 41.90 2qib n ASP 169 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qib n GLY 170 N 4.59 2.51 4.02 0.27 0.00 -1.25 -4.66 105.19 110.67 2qib n GLY 170 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.70 -3.71 0.10 1.61 1.74 -0.38 -4.85 116.66 110.48 2qib n ARG 171 Ca 0.00 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.65 2qib n ARG 171 Cb 0.00 -4.91 0.43 0.00 -1.02 0.00 0.00 32.46 26.96 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 -4.43 0.23 -5.00 5.56 1.74 -1.26 -4.68 116.66 108.81 2qib n ARG 172 Ca -0.13 0.23 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 2qib n ARG 172 Cb 0.60 -1.79 -0.15 0.00 -1.02 0.00 0.00 32.46 30.09 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 -3.13 2.62 0.50 0.55 1.01 -1.26 -5.10 121.20 116.39 2qib s ILE 173 Ca 0.10 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.69 2qib s ILE 173 Cb 0.12 -2.04 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 2qib s ILE 173 CO 0.56 0.55 1.25 -2.84 0.00 0.00 0.00 174.94 174.46 2qib s PRO 174 N 0.07 3.49 0.37 2.79 0.02 -1.26 -4.90 135.00 135.58 2qib s PRO 174 Ca -0.08 1.97 0.06 0.00 0.02 0.00 0.00 61.00 62.97 2qib s PRO 174 Cb -0.15 -2.34 0.73 0.00 0.02 0.00 0.00 34.50 32.75 2qib s PRO 174 CO 0.05 -0.83 1.97 0.07 -0.33 0.00 0.00 177.00 177.93 2qib h ARG 175 N 1.79 0.54 -0.91 5.54 0.11 -1.99 -2.06 114.38 117.40 2qib h ARG 175 Ca -0.50 -0.07 0.04 0.00 0.10 0.00 0.00 59.98 59.55 2qib h ARG 175 Cb 1.27 -0.10 -0.05 0.00 1.11 0.00 0.00 29.97 32.20 2qib h ARG 175 CO 0.59 0.46 0.60 0.00 0.10 0.00 0.00 179.97 181.72 2qib h ALA 176 N 1.62 1.43 -0.29 0.08 0.00 -2.00 0.56 119.26 120.66 2qib h ALA 176 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2qib h ALA 176 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qib h ALA 176 CO -0.01 0.48 -0.04 1.49 0.00 0.00 0.00 179.25 181.17 2qib h GLU 177 N 1.13 0.55 -0.14 0.00 4.81 -1.75 -2.75 114.58 116.43 2qib h GLU 177 Ca 0.36 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 2qib h GLU 177 Cb 0.03 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2qib h GLU 177 CO -0.11 0.72 -0.49 -0.07 -0.73 0.00 0.00 179.01 178.33 2qib h LEU 178 N 0.32 0.41 0.27 1.64 3.38 -1.05 0.17 115.31 120.45 2qib h LEU 178 Ca 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qib h LEU 178 Cb 0.50 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2qib h LEU 178 CO 0.02 0.84 -0.13 -0.33 0.09 0.00 0.00 178.44 178.93 2qib h GLU 179 N 0.30 -0.35 -0.51 1.13 5.08 -0.90 0.82 114.58 120.16 2qib h GLU 179 Ca 0.01 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2qib h GLU 179 Cb 0.98 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2qib h GLU 179 CO 0.08 -0.18 -0.05 0.00 -1.00 0.00 0.00 179.01 177.86 2qib h THR 180 N -0.43 1.26 -0.74 1.13 1.03 -1.42 -2.38 112.91 111.36 2qib h THR 180 Ca -0.04 -1.14 0.09 0.00 -0.01 0.00 0.00 66.41 65.31 2qib h THR 180 Cb 0.33 0.93 -0.07 0.00 -1.07 0.00 0.00 68.15 68.26 2qib h THR 180 CO 0.06 0.40 0.39 -0.61 -0.01 0.00 0.00 175.52 175.75 2qib h GLN 181 N 0.81 0.64 -0.53 0.00 4.15 -0.46 -0.84 115.11 118.88 2qib h GLN 181 Ca 0.14 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 2qib h GLN 181 Cb 0.56 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 2qib h GLN 181 CO 0.03 0.42 0.06 -0.07 -1.93 0.00 0.00 178.83 177.35 2qib h LEU 182 N 0.66 0.82 -0.24 -2.39 3.38 -0.45 0.23 115.31 117.31 2qib h LEU 182 Ca 0.36 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2qib h LEU 182 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2qib h LEU 182 CO -0.26 0.84 0.05 0.58 0.09 0.00 0.00 178.44 179.75 2qib h VAL 183 N 0.81 1.22 -0.54 1.22 2.07 -0.90 -1.19 116.25 118.94 2qib h VAL 183 Ca 0.17 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2qib h VAL 183 Cb 0.40 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2qib h VAL 183 CO 0.01 0.23 0.27 0.45 0.02 0.00 0.00 177.57 178.55 2qib h HIS 184 N 0.20 0.73 -0.74 1.57 3.86 -0.91 -2.43 115.15 117.43 2qib h HIS 184 Ca 0.07 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 2qib h HIS 184 Cb 0.30 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 2qib h HIS 184 CO 0.02 0.53 0.25 -0.44 0.86 0.00 0.00 177.93 179.15 2qib h ASP 185 N 0.75 1.04 -0.22 2.45 3.32 -0.33 0.10 116.42 123.52 2qib h ASP 185 Ca 0.19 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2qib h ASP 185 Cb 0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2qib h ASP 185 CO -0.03 0.95 0.14 0.15 -1.72 0.00 0.00 179.24 178.73 2qib h PHE 186 N 1.08 0.25 -0.72 4.55 3.57 -0.76 0.36 116.94 125.28 2qib h PHE 186 Ca 0.24 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2qib h PHE 186 Cb 0.27 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2qib h PHE 186 CO 0.02 0.15 0.37 0.00 -2.23 0.00 0.00 178.31 176.62 2qib h ALA 187 N 1.09 1.29 -0.08 2.41 0.00 -1.09 -2.90 119.26 119.99 2qib h ALA 187 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qib h ALA 187 Cb -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2qib h ALA 187 CO -0.03 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.79 2qib h ALA 188 N 1.39 0.11 0.00 0.00 0.00 -0.42 0.40 119.26 120.74 2qib h ALA 188 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qib h ALA 188 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qib h ALA 188 CO -0.04 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.26 2qib n LEU 189 N -4.87 0.22 0.00 0.00 4.77 0.06 -1.35 117.00 115.84 2qib n LEU 189 Ca -0.06 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2qib n LEU 189 Cb 0.17 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2qib n LEU 189 CO 0.35 0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.45 2qib n ALA 191 N 0.70 0.00 -0.11 -1.18 0.00 0.13 -2.64 120.51 117.41 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 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 1.13 -0.14 0.00 2.07 -1.47 -0.02 116.25 117.82 2qib h VAL 192 Ca 0.00 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qib h VAL 192 Cb 0.00 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2qib h VAL 192 CO 0.00 0.13 0.08 -1.28 0.02 0.00 0.00 177.57 176.52 2qib h SER 193 N 0.44 0.17 -0.13 0.57 0.87 -1.78 -3.03 113.55 110.67 2qib h SER 193 Ca 0.12 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2qib h SER 193 Cb 0.04 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2qib h SER 193 CO -0.02 0.19 0.11 0.00 -0.53 0.00 0.00 176.83 176.58 2qib h ALA 194 N 0.99 1.91 0.00 6.23 0.00 -1.76 -2.19 119.26 124.44 2qib h ALA 194 Ca 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2qib h ALA 194 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qib h ALA 194 CO -0.01 -0.18 -0.19 0.00 0.00 0.00 0.00 179.25 178.88 2qib h ALA 195 N 1.90 1.34 0.00 0.00 0.00 -0.87 -3.21 119.26 118.42 2qib h ALA 195 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qib h ALA 195 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qib h ALA 195 CO -0.00 0.24 0.00 0.66 0.00 0.00 0.00 179.25 180.15 2qib n TYR 196 N -3.80 0.00 -3.87 0.00 4.01 -0.88 -5.00 117.16 107.62 2qib n TYR 196 Ca -0.02 -0.15 -0.23 0.00 -0.16 0.00 0.00 57.90 57.34 2qib n TYR 196 Cb 0.29 -0.02 -0.17 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.30 1.63 0.19 7.72 2.15 -0.88 -5.05 116.67 122.12 2qib s ASP 197 Ca 0.00 -0.14 -0.12 0.00 0.43 0.00 0.00 52.55 52.72 2qib s ASP 197 Cb 0.00 -0.54 0.11 0.00 -0.30 0.00 0.00 42.92 42.20 2qib s ASP 197 CO 0.00 -0.15 1.84 -0.08 -0.17 0.00 0.00 175.17 176.61 2qib h GLU 198 N 8.11 0.87 -0.65 4.34 4.57 -1.90 0.24 114.58 130.16 2qib h GLU 198 Ca -0.25 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2qib h GLU 198 Cb 1.13 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 2qib h GLU 198 CO 0.33 0.60 0.00 -1.91 -1.18 0.00 0.00 179.01 176.85 2qib n GLU 199 N -4.60 0.16 0.00 1.92 2.13 -1.26 -0.14 120.64 118.85 2qib n GLU 199 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2qib n GLU 199 Cb 0.04 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.57 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 0.57 0.00 0.29 8.31 0.00 0.83 -1.83 105.19 113.35 2qib n GLY 201 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.90 -0.41 4.61 0.00 -0.79 -1.72 119.26 121.84 2qib h ALA 202 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qib h ALA 202 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2qib h ALA 202 CO 0.00 0.40 0.27 1.25 0.00 0.00 0.00 179.25 181.17 2qib h LEU 203 N 0.96 0.47 -0.38 0.00 6.46 -1.63 -0.88 115.31 120.31 2qib h LEU 203 Ca 0.25 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2qib h LEU 203 Cb 0.01 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 2qib h LEU 203 CO -0.04 0.34 0.19 0.58 -0.62 0.00 0.00 178.44 178.89 2qib h VAL 204 N 0.56 1.16 -0.78 1.05 2.07 -1.78 0.13 116.25 118.66 2qib h VAL 204 Ca 0.15 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2qib h VAL 204 Cb -0.06 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2qib h VAL 204 CO -0.03 0.17 0.45 0.03 0.02 0.00 0.00 177.57 178.21 2qib h ARG 205 N 0.48 1.07 -0.31 1.57 3.08 -1.17 0.67 114.38 119.77 2qib h ARG 205 Ca 0.13 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2qib h ARG 205 Cb 0.10 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2qib h ARG 205 CO -0.02 0.77 -0.23 -0.09 -1.07 0.00 0.00 179.97 179.33 2qib h ARG 206 N 1.08 0.59 0.00 0.04 2.43 -0.90 -3.05 114.38 114.57 2qib h ARG 206 Ca 0.28 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2qib h ARG 206 Cb -0.01 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2qib h ARG 206 CO -0.05 0.77 -0.54 0.28 -1.51 0.00 0.00 179.97 178.92 2qib n VAL 207 N -4.12 0.30 1.10 0.20 0.31 0.01 -3.60 118.33 112.52 2qib n VAL 207 Ca -0.00 -0.22 0.12 0.00 -0.01 0.00 0.00 64.34 64.23 2qib n VAL 207 Cb 0.41 -0.11 0.18 0.00 -0.91 0.00 0.00 33.84 33.41 2qib n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qib n LEU 208 N -2.00 1.18 0.00 7.52 -0.00 0.22 -4.25 117.00 119.67 2qib n LEU 208 Ca 0.04 -0.37 0.04 0.00 -0.00 0.00 0.00 56.01 55.72 2qib n LEU 208 Cb 0.42 -0.10 0.20 0.00 -0.00 0.00 0.00 43.42 43.94 2qib n LEU 208 CO 0.35 0.24 0.58 0.00 -0.00 0.00 0.00 177.39 178.56 2qib n ALA 209 N -0.78 1.53 -0.52 1.47 0.00 -1.16 -2.85 120.51 118.20 2qib n ALA 209 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2qib n ALA 209 Cb 0.37 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2qib n ALA 209 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qib n ASP 210 N -1.34 0.76 -4.64 0.00 8.00 -1.26 -5.02 116.55 113.05 2qib n ASP 210 Ca 0.04 -1.28 -0.34 0.00 0.71 0.00 0.00 54.79 53.92 2qib n ASP 210 Cb 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.28 2.84 1.04 -1.24 0.41 -1.13 -4.60 118.70 115.73 2qib s GLU 211 Ca 0.00 -0.51 -0.17 0.00 -0.41 0.00 0.00 54.97 53.88 2qib s GLU 211 Cb 0.00 -2.68 0.23 0.00 -1.78 0.00 0.00 34.13 29.90 2qib s GLU 211 CO 0.00 0.67 1.29 -1.25 -0.49 0.00 0.00 175.26 175.48 2qib s PRO 212 N -0.99 0.02 -0.52 0.39 0.04 -1.26 -4.73 135.00 127.94 2qib s PRO 212 Ca 0.14 -0.39 0.05 0.00 0.04 0.00 0.00 61.00 60.83 2qib s PRO 212 Cb -0.11 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.83 2qib s PRO 212 CO 0.03 -2.83 0.42 -1.91 0.04 0.00 0.00 177.00 172.75 2qib n GLU 213 N -4.07 0.87 -1.41 4.56 2.13 -1.26 -4.71 120.64 116.76 2qib n GLU 213 Ca 0.16 -3.68 0.03 0.00 0.66 0.00 0.00 57.16 54.33 2qib n GLU 213 Cb 0.59 -1.87 -0.02 0.00 0.27 0.00 0.00 31.44 30.41 2qib n GLU 213 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qib n GLY 215 N 2.37 -2.97 0.40 8.31 0.00 -1.26 -5.09 105.19 106.94 2qib n GLY 215 Ca 0.26 -0.67 0.19 0.00 0.00 0.00 0.00 46.02 45.80 2qib n GLY 215 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qib h PRO 216 N -0.25 0.39 0.15 1.61 0.11 -1.95 -2.68 132.00 129.39 2qib h PRO 216 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2qib h PRO 216 Cb 0.84 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2qib h PRO 216 CO 0.02 0.26 -0.07 0.35 -0.21 0.00 0.00 178.00 178.34 2qib h PHE 217 N 0.40 -0.19 -0.72 0.65 3.57 -1.92 -1.86 116.94 116.88 2qib h PHE 217 Ca 0.47 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.01 2qib h PHE 217 Cb 1.16 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 2qib h PHE 217 CO -0.00 0.13 0.44 0.78 -2.23 0.00 0.00 178.31 177.43 2qib h GLY 218 N -0.53 1.06 1.11 2.40 0.00 -1.78 -1.11 103.07 104.23 2qib h GLY 218 Ca -0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2qib h GLY 218 CO 0.03 0.23 0.21 -1.80 0.00 0.00 0.00 176.54 175.21 2qib h ASP 219 N 0.82 1.04 -0.50 0.19 3.58 -1.52 -1.04 116.42 118.99 2qib h ASP 219 Ca 0.31 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 2qib h ASP 219 Cb 0.11 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2qib h ASP 219 CO -0.15 0.97 0.31 0.25 -2.88 0.00 0.00 179.24 177.74 2qib h LEU 220 N 1.06 0.60 -0.39 2.28 5.85 -0.75 0.96 115.31 124.93 2qib h LEU 220 Ca 0.23 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2qib h LEU 220 Cb 0.32 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2qib h LEU 220 CO -0.01 0.48 0.00 0.58 -0.34 0.00 0.00 178.44 179.15 2qib h VAL 221 N 0.67 1.26 -0.55 1.05 2.07 -1.00 0.26 116.25 120.01 2qib h VAL 221 Ca 0.18 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.74 2qib h VAL 221 Cb -0.02 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2qib h VAL 221 CO -0.03 0.34 0.31 0.44 0.02 0.00 0.00 177.57 178.64 2qib h ASP 222 N 0.51 0.47 0.05 0.57 3.32 -1.08 -1.31 116.42 118.94 2qib h ASP 222 Ca 0.11 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2qib h ASP 222 Cb 0.47 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2qib h ASP 222 CO 0.02 0.32 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.75 2qib h ARG 223 N 0.60 -0.07 -0.29 3.56 2.43 -0.47 0.21 114.38 120.34 2qib h ARG 223 Ca 0.24 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2qib h ARG 223 Cb 0.10 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2qib h ARG 223 CO -0.14 0.03 0.19 -0.07 -1.51 0.00 0.00 179.97 178.48 2qib h LEU 224 N -0.15 0.32 0.25 3.80 -0.00 -0.87 0.45 115.31 119.10 2qib h LEU 224 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2qib h LEU 224 Cb 0.13 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2qib h LEU 224 CO 0.01 0.23 -0.12 0.25 -0.00 0.00 0.00 178.44 178.81 2qib h LEU 225 N 0.38 -0.28 -0.63 1.67 6.46 -0.86 -3.12 115.31 118.93 2qib h LEU 225 Ca 0.11 -0.21 -0.15 0.00 -0.12 0.00 0.00 57.88 57.51 2qib h LEU 225 Cb -0.02 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2qib h LEU 225 CO -0.02 0.09 -0.60 0.00 -0.62 0.00 0.00 178.44 177.29 2qib h ALA 226 N -0.06 0.82 0.00 1.25 0.00 0.26 -2.94 119.26 118.58 2qib h ALA 226 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2qib h ALA 226 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qib h ALA 226 CO 0.06 0.72 0.00 -0.07 0.00 0.00 0.00 179.25 179.96 2qib h LEU 227 N 0.22 0.00 -1.11 0.00 3.38 -0.28 -3.50 115.31 114.01 2qib h LEU 227 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qib h LEU 227 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2qib h LEU 227 CO 0.10 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.09