#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rii s ALA 40 N 0.00 3.48 -0.21 0.00 0.00 -1.26 -5.00 121.76 118.77 2rii s ALA 40 Ca 0.00 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 2rii s ALA 40 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2rii s ALA 40 CO 0.00 -0.76 0.36 0.08 0.00 0.00 0.00 175.76 175.44 2rii s VAL 41 N -1.15 5.22 0.06 0.00 1.01 -1.26 -4.34 120.40 119.93 2rii s VAL 41 Ca 0.51 0.62 0.03 0.00 0.00 0.00 0.00 61.98 63.13 2rii s VAL 41 Cb -0.41 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2rii s VAL 41 CO 0.55 0.26 0.05 -1.00 0.00 0.00 0.00 175.10 174.96 2rii s HIS 42 N 1.31 3.14 -1.21 5.22 4.02 0.11 -4.85 115.29 123.03 2rii s HIS 42 Ca 0.17 0.07 -0.12 0.00 1.02 0.00 0.00 55.06 56.20 2rii s HIS 42 Cb -0.15 -1.63 0.19 0.00 -1.02 0.00 0.00 32.58 29.97 2rii s HIS 42 CO 0.07 0.51 1.47 0.09 1.02 0.00 0.00 174.74 177.90 2rii n ASN 43 N 0.73 5.26 -4.82 1.40 3.02 -1.26 -1.42 115.26 118.16 2rii n ASN 43 Ca -0.11 -3.01 -0.38 0.00 -0.03 0.00 0.00 54.58 51.05 2rii n ASN 43 Cb 0.52 -1.53 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 2rii n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2rii s VAL 44 N 1.00 4.88 0.23 2.41 0.11 -1.10 -4.78 120.40 123.15 2rii s VAL 44 Ca 0.41 1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 60.19 2rii s VAL 44 Cb -0.02 -3.80 -0.09 0.00 -1.53 0.00 0.00 36.38 30.94 2rii s VAL 44 CO -0.00 0.56 1.22 -2.16 -3.33 0.00 0.00 175.10 171.39 2rii s PRO 45 N -1.10 4.48 0.59 1.54 0.04 -1.26 -0.62 135.00 138.66 2rii s PRO 45 Ca 0.26 1.95 0.29 0.00 0.04 0.00 0.00 61.00 63.54 2rii s PRO 45 Cb -0.18 -3.19 1.76 0.00 0.04 0.00 0.00 34.50 32.92 2rii s PRO 45 CO 0.16 -0.08 2.22 -0.07 0.04 0.00 0.00 177.00 179.27 2rii h LEU 46 N 4.70 0.00 0.00 -3.56 4.07 -1.08 -1.90 115.31 117.53 2rii h LEU 46 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2rii h LEU 46 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2rii h LEU 46 CO 0.72 0.00 -0.14 0.77 -1.08 0.00 0.00 178.44 178.72 2rii h SER 47 N 0.00 0.00 0.89 -0.43 4.64 -1.91 -3.06 113.55 113.68 2rii h SER 47 Ca 0.02 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2rii h SER 47 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2rii h SER 47 CO -0.00 0.01 -0.57 1.62 -0.87 0.00 0.00 176.83 177.02 2rii h VAL 48 N 0.00 1.18 -3.01 0.95 3.04 -1.73 -3.46 116.25 113.22 2rii h VAL 48 Ca 0.00 -2.10 -0.57 0.00 -1.01 0.00 0.00 66.70 63.02 2rii h VAL 48 Cb 0.87 2.21 -0.04 0.00 -2.01 0.00 0.00 31.29 32.32 2rii h VAL 48 CO 0.00 0.55 0.82 -0.76 -1.01 0.00 0.00 177.57 177.17 2rii s LEU 49 N -7.09 4.19 -0.30 3.16 1.43 -1.16 -4.53 118.68 114.39 2rii s LEU 49 Ca 0.00 1.64 -0.24 0.00 -1.03 0.00 0.00 54.13 54.50 2rii s LEU 49 Cb 0.11 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2rii s LEU 49 CO 0.74 -0.68 0.84 -0.63 0.23 0.00 0.00 176.35 176.85 2rii s ILE 50 N 3.06 4.76 -0.76 -0.59 1.01 -0.21 -4.90 121.20 123.56 2rii s ILE 50 Ca 0.52 1.34 0.03 0.00 0.00 0.00 0.00 60.65 62.54 2rii s ILE 50 Cb -0.21 -4.18 0.18 0.00 0.01 0.00 0.00 42.46 38.26 2rii s ILE 50 CO 0.15 -0.25 0.57 -0.13 0.00 0.00 0.00 174.94 175.28 2rii s ARG 51 N 3.04 2.70 0.00 2.79 0.52 -1.26 -1.19 118.95 125.54 2rii s ARG 51 Ca 0.35 -3.30 0.17 0.00 -0.52 0.00 0.00 55.73 52.42 2rii s ARG 51 Cb -0.14 -3.59 0.65 0.00 0.52 0.00 0.00 34.95 32.40 2rii s ARG 51 CO 0.12 -1.27 1.47 -0.35 0.02 0.00 0.00 175.30 175.28 2rii n PRO 52 N 2.13 1.57 -3.46 3.54 -0.04 -1.26 -4.86 135.00 132.62 2rii n PRO 52 Ca 0.20 -0.87 -0.37 0.00 -0.04 0.00 0.00 63.50 62.41 2rii n PRO 52 Cb 0.35 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 2rii n PRO 52 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rii s LEU 53 N -1.39 4.21 -0.35 1.53 1.43 -1.26 -5.01 118.68 117.84 2rii s LEU 53 Ca 0.27 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.63 2rii s LEU 53 Cb 0.14 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 2rii s LEU 53 CO 0.21 0.02 1.53 -2.16 0.23 0.00 0.00 176.35 176.19 2rii s PRO 54 N 0.79 3.58 -0.11 1.29 0.04 -1.26 -4.94 135.00 134.40 2rii s PRO 54 Ca 0.18 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 2rii s PRO 54 Cb -0.14 -4.06 0.03 0.00 0.04 0.00 0.00 34.50 30.37 2rii s PRO 54 CO 0.06 -1.55 -0.05 0.45 0.04 0.00 0.00 177.00 175.95 2rii s SER 55 N 4.42 2.09 -0.15 6.66 0.15 -1.26 -5.10 113.70 120.51 2rii s SER 55 Ca 0.67 -0.28 -0.22 0.00 0.70 0.00 0.00 55.95 56.82 2rii s SER 55 Cb -0.18 -0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 63.37 2rii s SER 55 CO 0.31 -0.15 0.66 -0.69 1.20 0.00 0.00 173.24 174.57 2rii s VAL 56 N 1.78 5.03 -0.10 4.45 1.01 -1.26 -5.05 120.40 126.26 2rii s VAL 56 Ca 0.04 1.29 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 2rii s VAL 56 Cb -0.13 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2rii s VAL 56 CO -0.07 0.16 -0.02 -0.76 0.00 0.00 0.00 175.10 174.41 2rii s LEU 57 N 1.52 3.44 -0.32 3.92 1.43 -1.26 -5.07 118.68 122.34 2rii s LEU 57 Ca 0.32 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.19 2rii s LEU 57 Cb -0.16 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2rii s LEU 57 CO 0.13 0.33 1.52 -0.62 0.23 0.00 0.00 176.35 177.94 2rii s ASP 58 N -0.61 6.33 0.58 2.29 2.15 -1.26 -4.90 116.67 121.24 2rii s ASP 58 Ca 0.10 1.22 0.31 0.00 0.43 0.00 0.00 52.55 54.61 2rii s ASP 58 Cb -0.12 -2.53 1.76 0.00 -0.30 0.00 0.00 42.92 41.72 2rii s ASP 58 CO 0.02 -1.37 2.20 1.55 -0.17 0.00 0.00 175.17 177.41 2rii h PRO 59 N 10.85 0.00 -0.23 4.34 0.13 -1.99 -2.31 132.00 142.79 2rii h PRO 59 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 2rii h PRO 59 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2rii h PRO 59 CO 1.04 0.04 -0.17 0.00 -0.23 0.00 0.00 178.00 178.68 2rii h ALA 60 N 1.96 0.33 -0.50 -0.56 0.00 -1.99 -0.52 119.26 117.97 2rii h ALA 60 Ca -0.00 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.66 2rii h ALA 60 Cb 0.12 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2rii h ALA 60 CO 0.01 0.23 0.11 0.87 0.00 0.00 0.00 179.25 180.47 2rii h LYS 61 N 0.22 0.25 -0.10 0.00 1.57 -1.84 -1.25 116.57 115.42 2rii h LYS 61 Ca 0.04 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2rii h LYS 61 Cb 0.69 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2rii h LYS 61 CO 0.04 0.16 0.04 0.28 -0.57 0.00 0.00 179.45 179.41 2rii h VAL 62 N 0.25 1.12 -0.73 0.50 2.07 -1.30 -1.80 116.25 116.36 2rii h VAL 62 Ca 0.25 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2rii h VAL 62 Cb 0.33 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2rii h VAL 62 CO -0.32 0.11 0.33 -0.61 0.02 0.00 0.00 177.57 177.10 2rii h GLN 63 N 0.02 1.05 -0.72 1.57 5.75 -0.77 0.23 115.11 122.24 2rii h GLN 63 Ca 0.03 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 2rii h GLN 63 Cb 0.13 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 2rii h GLN 63 CO -0.00 0.82 0.43 0.77 -2.65 0.00 0.00 178.83 178.20 2rii h SER 64 N 1.04 0.86 0.03 -0.69 0.02 -1.03 -0.91 113.55 112.87 2rii h SER 64 Ca 0.25 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2rii h SER 64 Cb 0.13 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2rii h SER 64 CO -0.03 0.67 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.24 2rii h LEU 65 N 1.00 -0.04 -0.75 5.07 3.38 -0.33 -1.27 115.31 122.37 2rii h LEU 65 Ca 0.26 -0.46 0.17 0.00 0.09 0.00 0.00 57.88 57.94 2rii h LEU 65 Cb -0.04 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.60 2rii h LEU 65 CO -0.05 0.45 0.07 0.58 0.09 0.00 0.00 178.44 179.58 2rii h VAL 66 N -0.54 0.40 0.55 1.22 2.07 -0.93 0.52 116.25 119.54 2rii h VAL 66 Ca -0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2rii h VAL 66 Cb 0.50 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2rii h VAL 66 CO 0.01 0.03 -0.51 0.44 0.02 0.00 0.00 177.57 177.56 2rii h ASP 67 N 0.15 -1.39 -0.67 0.57 3.32 -1.05 -2.85 116.42 114.51 2rii h ASP 67 Ca 0.42 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.60 2rii h ASP 67 Cb 0.74 0.45 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 2rii h ASP 67 CO -0.61 -0.69 0.42 0.74 -1.72 0.00 0.00 179.24 177.38 2rii h THR 68 N -1.05 1.10 -0.43 0.35 2.02 -0.47 -2.72 112.91 111.71 2rii h THR 68 Ca -0.07 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 66.90 2rii h THR 68 Cb 0.90 0.20 -0.09 0.00 -1.74 0.00 0.00 68.15 67.41 2rii h THR 68 CO -0.04 0.15 -0.40 0.40 0.37 0.00 0.00 175.52 176.00 2rii h ILE 69 N 0.83 0.14 -0.08 3.11 2.04 -0.77 0.76 117.51 123.55 2rii h ILE 69 Ca 0.26 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.08 2rii h ILE 69 Cb -0.00 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2rii h ILE 69 CO -0.10 0.00 -0.14 0.08 0.00 0.00 0.00 178.15 177.99 2rii h ARG 70 N -0.29 0.12 0.16 2.37 0.11 -1.26 -2.54 114.38 113.06 2rii h ARG 70 Ca 0.16 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 2rii h ARG 70 Cb 0.57 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2rii h ARG 70 CO -0.59 0.27 -0.08 0.93 0.10 0.00 0.00 179.97 180.61 2rii h GLU 71 N 0.12 -0.20 -2.49 0.08 4.39 -1.07 -3.44 114.58 111.96 2rii h GLU 71 Ca 0.02 0.01 -0.59 0.00 0.34 0.00 0.00 59.36 59.14 2rii h GLU 71 Cb 0.33 0.05 -0.39 0.00 -0.10 0.00 0.00 28.75 28.64 2rii h GLU 71 CO 0.02 -0.14 -0.86 -3.47 -1.16 0.00 0.00 179.01 173.40 2rii n ASP 72 N -4.12 0.83 0.26 1.42 -0.08 0.25 -4.97 116.55 110.14 2rii n ASP 72 Ca -0.03 -2.71 0.11 0.00 -1.51 0.00 0.00 54.79 50.65 2rii n ASP 72 Cb 0.08 -0.63 0.72 0.00 2.34 0.00 0.00 41.12 43.64 2rii n ASP 72 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2rii h PRO 73 N 5.24 0.00 -0.23 -0.67 0.11 -1.61 -1.10 132.00 133.75 2rii h PRO 73 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2rii h PRO 73 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2rii h PRO 73 CO 0.51 0.10 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 2rii n ASP 74 N -3.86 1.40 -0.85 -2.05 9.92 -1.26 -2.67 116.55 117.18 2rii n ASP 74 Ca -0.02 -1.89 0.12 0.00 -0.53 0.00 0.00 54.79 52.47 2rii n ASP 74 Cb 0.20 -0.15 0.22 0.00 -0.64 0.00 0.00 41.12 40.75 2rii n ASP 74 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2rii n SER 75 N 0.22 2.64 -4.40 -2.24 3.41 -0.41 -4.86 113.62 107.98 2rii n SER 75 Ca 0.11 -1.87 -0.39 0.00 -0.26 0.00 0.00 58.87 56.45 2rii n SER 75 Cb 0.24 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.06 2rii n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2rii s VAL 76 N -1.96 4.52 0.52 -3.33 1.01 -1.09 -5.08 120.40 114.98 2rii s VAL 76 Ca 0.31 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 2rii s VAL 76 Cb 0.20 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 2rii s VAL 76 CO 0.31 -0.09 1.00 -2.16 0.00 0.00 0.00 175.10 174.16 2rii s PRO 77 N 1.57 3.85 0.68 2.72 0.04 -1.26 -4.98 135.00 137.61 2rii s PRO 77 Ca 0.03 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 2rii s PRO 77 Cb -0.18 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2rii s PRO 77 CO 0.06 -0.36 1.12 -1.25 0.04 0.00 0.00 177.00 176.61 2rii s PRO 78 N -3.89 2.68 0.72 0.56 0.04 -1.26 -5.02 135.00 128.82 2rii s PRO 78 Ca 0.61 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 2rii s PRO 78 Cb -0.11 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.57 2rii s PRO 78 CO 0.29 -1.35 1.03 0.96 0.04 0.00 0.00 177.00 177.97 2rii s ILE 79 N -2.34 2.25 -0.08 0.56 -4.36 -1.01 -4.71 121.20 111.51 2rii s ILE 79 Ca 0.67 -0.28 -0.00 0.00 -0.26 0.00 0.00 60.65 60.78 2rii s ILE 79 Cb -0.21 -2.97 -0.03 0.00 1.25 0.00 0.00 42.46 40.50 2rii s ILE 79 CO 0.43 0.00 -0.05 -1.81 0.24 0.00 0.00 174.94 173.75 2rii s ASP 80 N -4.56 4.80 -0.11 4.36 1.01 -1.26 -0.51 116.67 120.40 2rii s ASP 80 Ca 0.61 0.00 -0.00 0.00 0.71 0.00 0.00 52.55 53.87 2rii s ASP 80 Cb -0.10 -1.33 0.02 0.00 1.01 0.00 0.00 42.92 42.52 2rii s ASP 80 CO 0.45 0.34 -0.08 -0.69 0.21 0.00 0.00 175.17 175.40 2rii s VAL 81 N -0.66 1.05 -0.25 -1.27 1.01 -0.70 -4.40 120.40 115.19 2rii s VAL 81 Ca 0.10 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2rii s VAL 81 Cb -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2rii s VAL 81 CO 0.02 0.37 1.35 -0.22 0.00 0.00 0.00 175.10 176.62 2rii s LEU 82 N 1.67 3.96 -0.33 3.92 2.96 -0.76 -1.00 118.68 129.10 2rii s LEU 82 Ca 0.04 1.40 -0.18 0.00 -0.22 0.00 0.00 54.13 55.17 2rii s LEU 82 Cb -0.13 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 2rii s LEU 82 CO -0.08 -1.03 0.53 0.86 -1.32 0.00 0.00 176.35 175.31 2rii s TRP 83 N 4.28 3.20 -0.08 5.38 -0.00 0.64 -0.80 118.94 131.56 2rii s TRP 83 Ca 0.58 0.32 0.03 0.00 -0.00 0.00 0.00 56.10 57.04 2rii s TRP 83 Cb -0.19 -2.90 0.01 0.00 -0.00 0.00 0.00 33.47 30.38 2rii s TRP 83 CO 0.22 -0.48 -0.16 0.42 -0.00 0.00 0.00 176.95 176.95 2rii s ILE 84 N 2.42 1.41 -0.23 5.86 1.01 -0.52 -0.61 121.20 130.54 2rii s ILE 84 Ca 0.20 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 2rii s ILE 84 Cb -0.15 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2rii s ILE 84 CO 0.12 0.42 0.14 -0.54 0.00 0.00 0.00 174.94 175.08 2rii s LYS 85 N 0.58 4.02 0.86 2.79 1.02 -1.25 -1.29 119.74 126.46 2rii s LYS 85 Ca -0.16 -0.30 -0.15 0.00 0.02 0.00 0.00 55.97 55.39 2rii s LYS 85 Cb -0.16 -3.47 0.20 0.00 -0.52 0.00 0.00 37.83 33.88 2rii s LYS 85 CO 0.05 0.08 1.09 0.41 -0.92 0.00 0.00 175.35 176.05 2rii n GLY 86 N 4.21 -1.68 0.34 -3.33 0.00 0.26 -4.91 105.19 100.08 2rii n GLY 86 Ca -0.15 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.29 2rii n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rii h ALA 87 N -1.97 1.66 -3.00 4.61 0.00 -1.31 -3.39 119.26 115.85 2rii h ALA 87 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2rii h ALA 87 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2rii h ALA 87 CO 0.25 -0.65 0.00 1.04 0.00 0.00 0.00 179.25 179.89 2rii n GLN 88 N -2.73 3.18 0.28 0.00 6.02 0.72 -4.95 117.38 119.90 2rii n GLN 88 Ca -0.01 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.16 2rii n GLN 88 Cb 0.67 0.00 0.95 0.00 1.02 0.00 0.00 30.24 32.88 2rii n GLN 88 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2rii h GLY 89 N 0.00 0.00 -1.85 1.08 0.00 -1.81 -3.47 103.07 97.01 2rii h GLY 89 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2rii h GLY 89 CO 0.00 0.00 0.43 0.61 0.00 0.00 0.00 176.54 177.58 2rii n GLY 90 N -1.29 -0.10 3.59 4.60 0.00 -1.10 -4.71 105.19 106.18 2rii n GLY 90 Ca -0.01 0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 2rii n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rii s ASP 91 N 2.13 6.34 -0.01 1.61 -0.00 -1.26 -0.58 116.67 124.90 2rii s ASP 91 Ca 0.35 0.27 0.04 0.00 -0.00 0.00 0.00 52.55 53.20 2rii s ASP 91 Cb -0.35 -2.26 -0.01 0.00 -0.00 0.00 0.00 42.92 40.30 2rii s ASP 91 CO 0.14 -0.32 -0.12 -0.31 -0.00 0.00 0.00 175.17 174.56 2rii s TYR 92 N 2.26 1.12 -0.26 4.23 1.51 -0.42 -5.02 117.35 120.77 2rii s TYR 92 Ca 0.18 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 2rii s TYR 92 Cb -0.16 -0.73 0.07 0.00 -0.11 0.00 0.00 41.96 41.03 2rii s TYR 92 CO 0.11 -0.04 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.43 2rii s PHE 93 N -0.21 2.55 0.58 2.71 0.08 -1.26 -1.43 117.98 120.99 2rii s PHE 93 Ca 0.03 -1.98 -0.04 0.00 0.12 0.00 0.00 56.93 55.06 2rii s PHE 93 Cb -0.06 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2rii s PHE 93 CO -0.00 -0.82 0.87 0.71 -0.10 0.00 0.00 175.22 175.87 2rii s TYR 94 N 1.34 3.18 -0.16 0.36 2.02 0.01 -1.05 117.35 123.06 2rii s TYR 94 Ca -0.01 0.51 -0.09 0.00 -0.37 0.00 0.00 57.07 57.11 2rii s TYR 94 Cb -0.19 -2.72 0.06 0.00 -0.40 0.00 0.00 41.96 38.71 2rii s TYR 94 CO -0.09 -0.82 0.39 0.45 -1.57 0.00 0.00 175.55 173.91 2rii s SER 95 N -4.32 -0.48 0.00 2.29 0.15 -0.33 -1.83 113.70 109.17 2rii s SER 95 Ca 0.54 0.84 0.00 0.00 0.70 0.00 0.00 55.95 58.03 2rii s SER 95 Cb -0.10 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2rii s SER 95 CO 0.43 -0.19 0.00 0.49 1.20 0.00 0.00 173.24 175.17 2rii n PHE 96 N 4.24 0.00 -0.04 3.44 3.72 -1.26 -4.40 117.46 123.16 2rii n PHE 96 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2rii n PHE 96 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 2rii n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rii n GLY 97 N 1.59 0.95 1.69 1.37 0.00 -1.26 -4.45 105.19 105.08 2rii n GLY 97 Ca 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 2rii n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rii n GLY 98 N 5.00 -0.08 0.44 -0.02 0.00 -1.26 -4.70 105.19 104.56 2rii n GLY 98 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2rii n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rii h HIS 100 N -0.47 0.00 -0.17 0.00 3.86 -1.97 -2.96 115.15 113.42 2rii h HIS 100 Ca 0.07 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.14 2rii h HIS 100 Cb 0.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 2rii h HIS 100 CO -0.60 0.48 -0.51 0.00 0.86 0.00 0.00 177.93 178.15 2rii h ARG 101 N 0.00 0.49 0.49 2.45 3.08 -1.57 -2.34 114.38 116.98 2rii h ARG 101 Ca -0.00 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 2rii h ARG 101 Cb 1.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2rii h ARG 101 CO 0.06 0.88 -0.24 -0.92 -1.07 0.00 0.00 179.97 178.69 2rii h TYR 102 N 0.38 -0.62 -0.86 3.04 3.20 0.77 -2.39 116.97 120.50 2rii h TYR 102 Ca 0.01 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.05 2rii h TYR 102 Cb 1.03 0.20 -0.11 0.00 1.54 0.00 0.00 36.73 39.39 2rii h TYR 102 CO 0.04 -0.29 0.38 0.00 -1.64 0.00 0.00 178.16 176.65 2rii h ALA 103 N -0.62 1.31 -0.65 1.82 0.00 -1.56 0.31 119.26 119.88 2rii h ALA 103 Ca -0.07 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2rii h ALA 103 Cb 0.60 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2rii h ALA 103 CO 0.11 -0.24 0.33 0.00 0.00 0.00 0.00 179.25 179.45 2rii h ALA 104 N 1.64 0.86 -0.14 0.00 0.00 -1.32 0.93 119.26 121.23 2rii h ALA 104 Ca 0.50 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.24 2rii h ALA 104 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2rii h ALA 104 CO -0.46 -0.03 -0.73 1.88 0.00 0.00 0.00 179.25 179.91 2rii h TYR 105 N 0.60 0.88 0.00 0.00 -1.99 0.04 -2.54 116.97 113.96 2rii h TYR 105 Ca 0.30 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.65 2rii h TYR 105 Cb 0.25 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2rii h TYR 105 CO -0.10 1.18 -0.02 -0.56 -0.00 0.00 0.00 178.16 178.66 2rii h GLN 106 N 0.46 0.00 -0.14 4.88 3.07 -0.56 -3.13 115.11 119.68 2rii h GLN 106 Ca -0.04 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.49 2rii h GLN 106 Cb 1.33 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.90 2rii h GLN 106 CO 0.14 0.00 -0.78 0.37 0.09 0.00 0.00 178.83 178.66 2rii h GLN 107 N 0.00 0.73 0.00 0.06 4.15 0.92 -3.41 115.11 117.56 2rii h GLN 107 Ca 0.00 -0.60 -0.31 0.00 0.77 0.00 0.00 58.65 58.51 2rii h GLN 107 Cb 0.95 0.13 0.15 0.00 0.21 0.00 0.00 27.48 28.92 2rii h GLN 107 CO 0.00 1.21 0.08 1.28 -1.93 0.00 0.00 178.83 179.47 2rii n LEU 108 N -3.92 0.00 0.16 -2.39 4.77 -0.96 -4.96 117.00 109.69 2rii n LEU 108 Ca -0.07 -0.90 0.07 0.00 -0.03 0.00 0.00 56.01 55.08 2rii n LEU 108 Cb 0.74 -0.79 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2rii n LEU 108 CO 0.52 -1.95 0.48 1.56 -1.33 0.00 0.00 177.39 176.67 2rii h GLN 109 N 0.00 0.00 -4.31 3.23 7.50 -1.80 -3.47 115.11 116.26 2rii h GLN 109 Ca -0.32 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.28 2rii h GLN 109 Cb 0.99 0.00 0.05 0.00 0.05 0.00 0.00 27.48 28.57 2rii h GLN 109 CO 0.21 0.25 -0.06 0.54 -1.50 0.00 0.00 178.83 178.27 2rii n ARG 110 N -3.09 0.00 -0.02 1.46 5.12 -1.19 -4.95 116.66 113.98 2rii n ARG 110 Ca 0.01 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.78 2rii n ARG 110 Cb 0.65 -0.99 -0.12 0.00 -1.16 0.00 0.00 32.46 30.84 2rii n ARG 110 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2rii h GLU 111 N 1.80 0.16 -6.28 5.56 4.39 -1.95 -3.45 114.58 114.81 2rii h GLU 111 Ca -0.33 -0.19 -0.59 0.00 0.34 0.00 0.00 59.36 58.60 2rii h GLU 111 Cb 1.03 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.62 2rii h GLU 111 CO 0.45 0.97 -0.68 0.95 -1.16 0.00 0.00 179.01 179.54 2rii s THR 112 N -2.89 3.26 -0.02 1.13 -4.23 -1.26 -0.48 115.64 111.15 2rii s THR 112 Ca -0.16 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2rii s THR 112 Cb 0.00 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 2rii s THR 112 CO 0.74 -0.29 -0.14 -0.51 -0.54 0.00 0.00 174.62 173.88 2rii s ILE 113 N -2.14 1.18 0.12 2.99 2.07 0.21 -4.89 121.20 120.74 2rii s ILE 113 Ca 0.29 -0.61 -0.31 0.00 -1.41 0.00 0.00 60.65 58.61 2rii s ILE 113 Cb -0.07 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.41 2rii s ILE 113 CO 0.18 0.34 1.86 -2.65 -1.91 0.00 0.00 174.94 172.76 2rii n PRO 114 N 2.95 2.83 -3.87 3.50 -0.02 -1.26 -2.69 135.00 136.44 2rii n PRO 114 Ca -0.16 1.03 -0.11 0.00 -2.02 0.00 0.00 63.50 62.24 2rii n PRO 114 Cb 0.54 -2.94 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 2rii n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rii s ALA 115 N 2.92 -0.31 -0.01 3.55 0.00 -0.51 -2.40 121.76 125.01 2rii s ALA 115 Ca 0.83 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 2rii s ALA 115 Cb -0.47 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 2rii s ALA 115 CO 0.38 -0.20 0.51 0.15 0.00 0.00 0.00 175.76 176.59 2rii s LYS 116 N -1.30 4.17 -0.10 0.00 1.02 0.33 0.10 119.74 123.96 2rii s LYS 116 Ca -0.14 0.58 -0.10 0.00 0.02 0.00 0.00 55.97 56.33 2rii s LYS 116 Cb -0.07 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 2rii s LYS 116 CO 0.01 0.49 0.23 -0.51 -0.92 0.00 0.00 175.35 174.66 2rii s LEU 117 N -0.53 4.37 -0.20 3.17 2.01 -1.26 -1.72 118.68 124.51 2rii s LEU 117 Ca 0.27 0.58 -0.01 0.00 0.01 0.00 0.00 54.13 54.98 2rii s LEU 117 Cb -0.17 -2.25 0.05 0.00 0.01 0.00 0.00 46.19 43.83 2rii s LEU 117 CO 0.15 0.31 -0.03 -0.69 1.01 0.00 0.00 176.35 177.10 2rii s VAL 118 N -0.66 1.13 0.50 -1.59 1.01 -0.17 -4.94 120.40 115.68 2rii s VAL 118 Ca 0.17 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 2rii s VAL 118 Cb -0.13 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 2rii s VAL 118 CO 0.06 -0.05 1.32 -1.10 0.00 0.00 0.00 175.10 175.32 2rii s GLN 119 N 1.59 3.44 0.11 2.72 -0.21 -1.26 0.23 119.66 126.29 2rii s GLN 119 Ca -0.02 2.15 -0.21 0.00 0.02 0.00 0.00 55.36 57.30 2rii s GLN 119 Cb -0.17 -2.40 0.05 0.00 1.00 0.00 0.00 33.01 31.50 2rii s GLN 119 CO -0.07 -0.92 0.51 -1.12 -2.12 0.00 0.00 175.29 171.57 2rii s SER 120 N -0.96 -0.42 0.00 5.90 0.01 0.22 -4.78 113.70 113.66 2rii s SER 120 Ca 0.67 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2rii s SER 120 Cb -0.38 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2rii s SER 120 CO 0.46 -0.85 0.00 0.35 0.41 0.00 0.00 173.24 173.61 2rii n THR 121 N -0.06 0.00 -0.01 1.44 -2.24 -1.26 -4.48 114.28 107.67 2rii n THR 121 Ca -0.17 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.69 2rii n THR 121 Cb 0.63 -1.39 -0.14 0.00 -2.10 0.00 0.00 70.33 67.33 2rii n THR 121 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2rii n LEU 122 N 0.00 0.00 -0.11 3.22 4.77 -1.26 -4.09 117.00 119.53 2rii n LEU 122 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2rii n LEU 122 Cb 0.00 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2rii n LEU 122 CO 0.00 0.03 0.56 0.28 -1.33 0.00 0.00 177.39 176.92 2rii h SER 123 N 0.00 0.91 -0.55 -1.43 0.02 -1.98 0.19 113.55 110.71 2rii h SER 123 Ca -0.03 -0.47 0.11 0.00 -0.84 0.00 0.00 61.79 60.56 2rii h SER 123 Cb 0.90 -0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.08 2rii h SER 123 CO 0.00 1.19 -0.24 0.44 -1.14 0.00 0.00 176.83 177.08 2rii h ASP 124 N 0.65 -0.85 -0.72 3.07 3.32 -1.95 -1.49 116.42 118.45 2rii h ASP 124 Ca 0.06 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2rii h ASP 124 Cb 0.93 0.46 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 2rii h ASP 124 CO 0.09 -0.26 0.41 0.25 -1.72 0.00 0.00 179.24 178.00 2rii h LEU 125 N -0.11 0.89 -1.51 1.55 5.85 -1.58 -2.91 115.31 117.50 2rii h LEU 125 Ca 0.25 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.98 2rii h LEU 125 Cb 0.50 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2rii h LEU 125 CO -0.62 0.72 0.46 -0.09 -0.34 0.00 0.00 178.44 178.56 2rii h ARG 126 N 0.99 0.54 -0.80 1.25 2.43 0.41 0.28 114.38 119.49 2rii h ARG 126 Ca 0.26 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.56 2rii h ARG 126 Cb 0.01 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 2rii h ARG 126 CO -0.04 0.36 0.53 0.28 -1.51 0.00 0.00 179.97 179.59 2rii h VAL 127 N 0.56 0.76 0.11 0.20 2.07 -1.24 -0.60 116.25 118.12 2rii h VAL 127 Ca 0.32 -0.14 -0.35 0.00 0.82 0.00 0.00 66.70 67.35 2rii h VAL 127 Cb 0.50 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2rii h VAL 127 CO -0.10 0.08 -1.90 1.88 0.02 0.00 0.00 177.57 177.55 2rii h TYR 128 N 0.42 0.44 0.00 1.57 -1.99 -0.57 -3.42 116.97 113.42 2rii h TYR 128 Ca 0.40 -0.32 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2rii h TYR 128 Cb 0.94 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.65 2rii h TYR 128 CO -0.00 1.63 -0.69 1.28 -0.00 0.00 0.00 178.16 180.38 2rii n LEU 129 N -3.43 0.46 0.00 3.88 4.77 -0.85 -5.05 117.00 116.78 2rii n LEU 129 Ca -0.28 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2rii n LEU 129 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2rii n LEU 129 CO 0.45 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2rii n GLY 130 N 1.35 3.00 0.00 -0.72 0.00 -0.25 0.13 105.19 108.70 2rii n GLY 130 Ca 0.01 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2rii n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rii n ALA 131 N 9.37 1.83 -0.14 4.61 0.00 -1.26 -1.55 120.51 133.36 2rii n ALA 131 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.44 2rii n ALA 131 Cb 0.00 -1.25 0.28 0.00 0.00 0.00 0.00 19.45 18.48 2rii n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2rii n SER 132 N -1.34 3.88 -4.71 0.00 7.64 0.12 -4.93 113.62 114.26 2rii n SER 132 Ca 0.06 -2.38 -0.42 0.00 1.01 0.00 0.00 58.87 57.14 2rii n SER 132 Cb 0.14 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 2rii n SER 132 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2rii s THR 133 N -1.84 4.32 0.43 0.44 2.01 -0.60 -4.91 115.64 115.50 2rii s THR 133 Ca 0.40 1.70 -0.10 0.00 0.31 0.00 0.00 61.69 64.00 2rii s THR 133 Cb 0.26 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 2rii s THR 133 CO 0.18 0.15 0.79 -2.16 -0.69 0.00 0.00 174.62 172.89 2rii s PRO 134 N 0.88 3.74 -1.55 4.92 0.05 -1.26 -4.95 135.00 136.82 2rii s PRO 134 Ca 0.55 0.45 -0.09 0.00 0.05 0.00 0.00 61.00 61.96 2rii s PRO 134 Cb -0.26 -2.37 -0.04 0.00 0.05 0.00 0.00 34.50 31.88 2rii s PRO 134 CO 0.29 -0.09 2.82 -3.47 0.05 0.00 0.00 177.00 176.60 2rii n ASP 135 N -1.52 8.57 -4.46 6.66 2.03 -1.26 -4.96 116.55 121.60 2rii n ASP 135 Ca 0.02 -2.71 -0.44 0.00 0.52 0.00 0.00 54.79 52.18 2rii n ASP 135 Cb 0.54 -1.51 -0.01 0.00 -0.72 0.00 0.00 41.12 39.42 2rii n ASP 135 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2rii n LEU 136 N 3.15 -0.07 0.00 -2.67 4.77 -1.26 -4.92 117.00 115.99 2rii n LEU 136 Ca 0.75 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.75 2rii n LEU 136 Cb 0.24 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2rii n LEU 136 CO 0.82 -2.63 0.22 0.00 -1.33 0.00 0.00 177.39 174.46