#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibs s GLY 5 N 0.00 2.78 0.41 2.58 0.00 -1.26 -4.75 107.32 107.07 3ibs s GLY 5 Ca 0.00 0.90 0.07 0.00 0.00 0.00 0.00 44.72 45.69 3ibs s GLY 5 CO 0.00 1.36 0.09 -1.34 0.00 0.00 0.00 173.10 173.21 3ibs s VAL 6 N -1.55 2.20 -0.14 1.40 -7.23 -1.26 -4.38 120.40 109.43 3ibs s VAL 6 Ca 0.62 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 3ibs s VAL 6 Cb -0.28 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.69 3ibs s VAL 6 CO 0.34 -0.02 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.31 3ibs s GLU 7 N -3.80 3.11 -0.13 4.82 2.02 -0.56 -1.11 118.70 123.04 3ibs s GLU 7 Ca 0.38 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.56 3ibs s GLU 7 Cb 0.06 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.82 3ibs s GLU 7 CO 0.20 0.02 -0.14 0.08 0.02 0.00 0.00 175.26 175.45 3ibs s VAL 8 N 0.75 1.49 -0.18 2.63 1.01 0.27 -1.02 120.40 125.36 3ibs s VAL 8 Ca -0.08 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3ibs s VAL 8 Cb -0.16 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3ibs s VAL 8 CO 0.00 0.44 -0.09 -0.63 0.00 0.00 0.00 175.10 174.82 3ibs s ILE 9 N 1.37 3.14 -0.13 2.22 1.01 -0.17 -0.80 121.20 127.84 3ibs s ILE 9 Ca 0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 3ibs s ILE 9 Cb -0.13 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 3ibs s ILE 9 CO -0.08 0.48 0.30 -0.63 0.00 0.00 0.00 174.94 175.01 3ibs s ILE 10 N 0.93 5.28 -0.34 2.92 1.01 -0.26 -0.77 121.20 129.97 3ibs s ILE 10 Ca -0.02 0.57 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 3ibs s ILE 10 Cb -0.15 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.77 3ibs s ILE 10 CO -0.00 0.44 0.07 0.00 0.00 0.00 0.00 174.94 175.45 3ibs s ALA 11 N 0.07 2.94 -0.23 9.38 0.00 0.51 -0.39 121.76 134.04 3ibs s ALA 11 Ca 0.18 -2.11 -0.08 0.00 0.00 0.00 0.00 51.96 49.95 3ibs s ALA 11 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3ibs s ALA 11 CO 0.06 -1.50 0.08 -1.17 0.00 0.00 0.00 175.76 173.23 3ibs s LEU 12 N 1.17 3.64 -0.04 0.00 2.96 0.32 -1.29 118.68 125.45 3ibs s LEU 12 Ca 0.01 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.54 3ibs s LEU 12 Cb -0.21 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 3ibs s LEU 12 CO -0.03 0.03 1.75 -0.62 -1.32 0.00 0.00 176.35 176.17 3ibs s ASP 13 N 1.21 6.58 -0.16 3.68 -1.08 -0.46 -1.24 116.67 125.20 3ibs s ASP 13 Ca 0.05 2.34 0.17 0.00 -0.52 0.00 0.00 52.55 54.59 3ibs s ASP 13 Cb -0.14 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.13 3ibs s ASP 13 CO 0.04 -0.99 1.21 2.30 0.52 0.00 0.00 175.17 178.25 3ibs n ILE 14 N 5.56 2.02 -0.94 4.11 -5.35 0.32 -4.90 119.36 120.18 3ibs n ILE 14 Ca 0.18 -2.42 -0.30 0.00 -0.27 0.00 0.00 62.75 59.95 3ibs n ILE 14 Cb 0.42 -0.25 0.17 0.00 -1.74 0.00 0.00 39.64 38.25 3ibs n ILE 14 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ibs s SER 15 N -2.82 2.72 0.41 7.28 1.04 -1.24 -4.11 113.70 116.98 3ibs s SER 15 Ca 0.35 1.62 0.14 0.00 0.48 0.00 0.00 55.95 58.54 3ibs s SER 15 Cb 0.31 -2.27 0.98 0.00 0.10 0.00 0.00 66.02 65.14 3ibs s SER 15 CO 0.02 -3.13 1.91 0.78 0.98 0.00 0.00 173.24 173.79 3ibs h ASN 16 N -1.89 0.47 0.00 7.02 2.35 -1.94 -3.37 115.58 118.21 3ibs h ASN 16 Ca -0.51 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3ibs h ASN 16 Cb 1.29 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 3ibs h ASN 16 CO 0.51 0.24 0.47 -1.54 -1.65 0.00 0.00 177.43 175.47 3ibs n SER 17 N -4.50 0.08 0.00 5.81 3.41 -1.26 -4.20 113.62 112.96 3ibs n SER 17 Ca 0.15 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 3ibs n SER 17 Cb 0.50 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3ibs n SER 17 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ibs n LEU 19 N 2.97 0.00 -4.64 1.04 4.77 -1.26 -4.89 117.00 114.98 3ibs n LEU 19 Ca 0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 3ibs n LEU 19 Cb 0.01 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3ibs n LEU 19 CO 0.24 0.00 0.63 0.00 -1.33 0.00 0.00 177.39 176.93 3ibs n ALA 20 N 0.19 0.44 -1.71 -1.18 0.00 -1.26 -4.49 120.51 112.51 3ibs n ALA 20 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 3ibs n ALA 20 Cb 0.00 -2.15 0.11 0.00 0.00 0.00 0.00 19.45 17.41 3ibs n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ibs n GLN 21 N -0.88 2.66 0.00 0.00 6.02 -1.26 -1.42 117.38 122.50 3ibs n GLN 21 Ca 0.13 -3.64 0.14 0.00 -0.01 0.00 0.00 57.00 53.62 3ibs n GLN 21 Cb 0.46 -2.04 0.62 0.00 1.02 0.00 0.00 30.24 30.29 3ibs n GLN 21 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3ibs n ASP 22 N -0.92 0.29 -4.10 1.08 5.75 -1.26 -4.64 116.55 112.75 3ibs n ASP 22 Ca 0.39 -0.28 -0.19 0.00 -0.01 0.00 0.00 54.79 54.70 3ibs n ASP 22 Cb 0.91 -0.16 -0.13 0.00 -1.03 0.00 0.00 41.12 40.71 3ibs n ASP 22 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ibs s VAL 23 N -2.62 0.92 0.03 2.12 0.11 -1.26 -4.92 120.40 114.77 3ibs s VAL 23 Ca 0.25 -0.82 -0.17 0.00 -2.93 0.00 0.00 61.98 58.31 3ibs s VAL 23 Cb 0.20 -0.83 -0.06 0.00 -1.53 0.00 0.00 36.38 34.16 3ibs s VAL 23 CO 0.50 0.02 0.47 -1.10 -3.33 0.00 0.00 175.10 171.66 3ibs s GLN 24 N -0.91 4.03 0.37 1.54 -1.52 -1.26 -1.88 119.66 120.04 3ibs s GLN 24 Ca 0.01 0.54 0.20 0.00 -1.95 0.00 0.00 55.36 54.16 3ibs s GLN 24 Cb -0.07 -3.23 0.50 0.00 -0.22 0.00 0.00 33.01 29.99 3ibs s GLN 24 CO 0.01 0.66 1.64 -1.35 -0.25 0.00 0.00 175.29 176.00 3ibs h PRO 25 N 4.66 0.00 -3.20 2.91 0.11 -1.96 -3.39 132.00 131.15 3ibs h PRO 25 Ca -0.51 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3ibs h PRO 25 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3ibs h PRO 25 CO 0.62 0.32 0.13 -1.54 -0.21 0.00 0.00 178.00 177.33 3ibs s SER 26 N -6.32 -0.15 0.17 -2.05 1.04 -0.79 -4.69 113.70 100.92 3ibs s SER 26 Ca 0.03 -0.78 -0.15 0.00 0.48 0.00 0.00 55.95 55.53 3ibs s SER 26 Cb 0.09 0.71 0.07 0.00 0.10 0.00 0.00 66.02 66.98 3ibs s SER 26 CO 0.69 -1.33 1.80 0.03 0.98 0.00 0.00 173.24 175.41 3ibs h ARG 27 N 2.07 0.52 -0.24 4.02 3.08 -1.32 -0.83 114.38 121.67 3ibs h ARG 27 Ca -0.22 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 3ibs h ARG 27 Cb 1.25 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3ibs h ARG 27 CO 0.29 0.34 -0.14 1.25 -1.07 0.00 0.00 179.97 180.64 3ibs h LEU 28 N 0.53 0.54 -0.55 3.04 5.85 -1.92 -1.61 115.31 121.19 3ibs h LEU 28 Ca 0.18 -0.42 -0.15 0.00 0.84 0.00 0.00 57.88 58.33 3ibs h LEU 28 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3ibs h LEU 28 CO -0.09 0.85 -0.49 -0.08 -0.34 0.00 0.00 178.44 178.29 3ibs h GLU 29 N 0.24 0.60 -0.56 1.25 4.57 -1.91 -0.98 114.58 117.79 3ibs h GLU 29 Ca 0.05 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3ibs h GLU 29 Cb 0.65 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 3ibs h GLU 29 CO 0.04 0.95 0.36 -0.22 -1.18 0.00 0.00 179.01 178.96 3ibs h LYS 30 N 0.48 0.75 -0.73 1.92 1.63 -1.19 -1.55 116.57 117.88 3ibs h LYS 30 Ca 0.02 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 3ibs h LYS 30 Cb 1.02 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 32.44 3ibs h LYS 30 CO 0.10 0.52 0.46 0.00 -3.45 0.00 0.00 179.45 177.07 3ibs h ALA 31 N 1.19 0.96 -0.57 5.00 0.00 -0.78 -0.83 119.26 124.23 3ibs h ALA 31 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3ibs h ALA 31 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ibs h ALA 31 CO -0.04 0.23 0.20 0.87 0.00 0.00 0.00 179.25 180.52 3ibs h LYS 32 N 0.88 0.87 -0.59 0.00 1.57 -0.91 -0.65 116.57 117.75 3ibs h LYS 32 Ca 0.30 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3ibs h LYS 32 Cb 0.04 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3ibs h LYS 32 CO -0.12 0.77 0.12 0.00 -0.57 0.00 0.00 179.45 179.65 3ibs h ARG 33 N 0.79 0.92 -0.45 3.15 3.08 -0.99 -0.50 114.38 120.39 3ibs h ARG 33 Ca 0.19 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3ibs h ARG 33 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3ibs h ARG 33 CO -0.01 0.84 0.09 1.25 -1.07 0.00 0.00 179.97 181.07 3ibs h LEU 34 N 0.88 0.69 -0.59 3.04 6.46 -0.90 -2.61 115.31 122.28 3ibs h LEU 34 Ca 0.19 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 3ibs h LEU 34 Cb 0.35 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 3ibs h LEU 34 CO 0.00 0.75 0.25 0.40 -0.62 0.00 0.00 178.44 179.22 3ibs h ILE 35 N 0.59 1.22 -0.80 4.05 2.04 -0.64 0.23 117.51 124.20 3ibs h ILE 35 Ca 0.14 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.38 3ibs h ILE 35 Cb 0.34 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 3ibs h ILE 35 CO 0.00 0.27 0.48 -1.28 0.00 0.00 0.00 178.15 177.62 3ibs h SER 36 N 0.82 0.72 0.42 1.72 0.87 -1.05 0.16 113.55 117.21 3ibs h SER 36 Ca 0.20 0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.60 3ibs h SER 36 Cb 0.19 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3ibs h SER 36 CO -0.02 0.45 -0.78 0.03 -0.53 0.00 0.00 176.83 175.98 3ibs h ARG 37 N 0.85 0.28 -0.29 2.24 3.08 -1.06 -2.37 114.38 117.12 3ibs h ARG 37 Ca 0.36 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.19 3ibs h ARG 37 Cb 0.24 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3ibs h ARG 37 CO -0.20 0.93 0.09 1.25 -1.07 0.00 0.00 179.97 180.97 3ibs h LEU 38 N 0.18 0.09 -0.99 3.04 6.46 -0.42 -2.85 115.31 120.82 3ibs h LEU 38 Ca -0.04 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 3ibs h LEU 38 Cb 1.37 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.29 3ibs h LEU 38 CO 0.13 0.09 0.36 0.58 -0.62 0.00 0.00 178.44 178.98 3ibs h VAL 39 N 0.21 1.24 -0.04 1.05 2.07 -0.81 -1.79 116.25 118.18 3ibs h VAL 39 Ca 0.13 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.99 3ibs h VAL 39 Cb 0.10 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3ibs h VAL 39 CO -0.14 0.28 0.05 0.44 0.02 0.00 0.00 177.57 178.22 3ibs h ASP 40 N 1.08 0.00 0.56 0.57 3.32 -1.21 -1.87 116.42 118.86 3ibs h ASP 40 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3ibs h ASP 40 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3ibs h ASP 40 CO -0.03 0.00 -0.44 -0.62 -1.72 0.00 0.00 179.24 176.43 3ibs n GLU 41 N -3.88 0.01 -2.42 3.56 -0.58 -0.68 -4.90 120.64 111.74 3ibs n GLU 41 Ca -0.02 -0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.37 3ibs n GLU 41 Cb 0.14 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 3ibs n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ibs s LEU 42 N -3.00 3.89 0.00 -4.62 1.43 -0.70 -5.01 118.68 110.66 3ibs s LEU 42 Ca 0.11 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 3ibs s LEU 42 Cb 0.18 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.93 3ibs s LEU 42 CO 0.68 -0.88 0.00 -0.67 0.23 0.00 0.00 176.35 175.71 3ibs n ASP 43 N -0.86 0.00 -1.84 2.29 2.03 -1.26 -4.86 116.55 112.04 3ibs n ASP 43 Ca 0.09 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.25 3ibs n ASP 43 Cb 0.51 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.06 3ibs n ASP 43 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3ibs n ASN 44 N -0.89 3.63 -4.82 1.67 5.15 -1.26 -5.00 115.26 113.74 3ibs n ASN 44 Ca 0.00 -3.11 -0.22 0.00 -0.60 0.00 0.00 54.58 50.66 3ibs n ASN 44 Cb 0.00 -0.73 -0.04 0.00 -0.53 0.00 0.00 39.78 38.47 3ibs n ASN 44 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3ibs s ASP 45 N -0.64 5.05 0.06 1.20 1.01 -1.26 -4.54 116.67 117.56 3ibs s ASP 45 Ca 0.41 -0.64 0.07 0.00 0.71 0.00 0.00 52.55 53.10 3ibs s ASP 45 Cb 0.34 -0.81 -0.03 0.00 1.01 0.00 0.00 42.92 43.42 3ibs s ASP 45 CO 0.08 -0.40 -0.16 -0.54 0.21 0.00 0.00 175.17 174.35 3ibs s LYS 46 N -3.98 2.05 -0.00 8.23 1.02 -0.27 -4.41 119.74 122.37 3ibs s LYS 46 Ca 0.41 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 55.42 3ibs s LYS 46 Cb -0.04 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3ibs s LYS 46 CO 0.26 0.53 -0.09 0.54 -0.92 0.00 0.00 175.35 175.67 3ibs s VAL 47 N -1.00 0.69 0.00 3.17 0.11 0.11 -0.56 120.40 122.91 3ibs s VAL 47 Ca 0.16 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 3ibs s VAL 47 Cb -0.11 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 3ibs s VAL 47 CO 0.07 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 3ibs n GLY 48 N 2.79 5.79 3.64 6.54 0.00 0.02 -0.52 105.19 123.45 3ibs n GLY 48 Ca -0.14 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 3ibs n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ibs s ILE 50 N -0.19 0.00 0.05 -0.61 1.01 0.48 -1.11 121.20 120.83 3ibs s ILE 50 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.70 3ibs s ILE 50 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3ibs s ILE 50 CO 0.00 0.00 -0.06 0.68 0.00 0.00 0.00 174.94 175.56 3ibs s VAL 51 N 0.27 3.68 0.01 2.92 -7.23 -0.43 -0.52 120.40 119.10 3ibs s VAL 51 Ca 0.03 -0.96 -0.09 0.00 -1.81 0.00 0.00 61.98 59.15 3ibs s VAL 51 Cb -0.05 -2.68 0.01 0.00 0.56 0.00 0.00 36.38 34.22 3ibs s VAL 51 CO -0.10 0.24 0.18 0.72 -0.31 0.00 0.00 175.10 175.84 3ibs s PHE 52 N -1.14 0.00 0.00 2.82 -0.12 -0.37 -1.34 117.98 117.82 3ibs s PHE 52 Ca 0.21 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.00 3ibs s PHE 52 Cb -0.11 -0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 3ibs s PHE 52 CO 0.12 -0.33 0.00 0.00 -0.05 0.00 0.00 175.22 174.96 3ibs n ALA 53 N 1.28 0.00 0.18 1.99 0.00 -1.26 -0.52 120.51 122.18 3ibs n ALA 53 Ca -0.22 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.26 3ibs n ALA 53 Cb 0.56 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.36 3ibs n ALA 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ibs h GLY 54 N 0.00 0.00 -1.69 0.00 0.00 -1.08 0.16 103.07 100.46 3ibs h GLY 54 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 3ibs h GLY 54 CO 0.00 0.00 -0.60 0.99 0.00 0.00 0.00 176.54 176.93 3ibs s ASP 55 N -6.69 3.42 0.00 0.19 1.01 -1.26 -4.67 116.67 108.68 3ibs s ASP 55 Ca -0.02 -1.40 0.06 0.00 0.71 0.00 0.00 52.55 51.91 3ibs s ASP 55 Cb 0.13 -0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 3ibs s ASP 55 CO 0.71 -0.53 -0.20 0.00 0.21 0.00 0.00 175.17 175.36 3ibs s ALA 56 N -2.90 1.68 0.07 5.23 0.00 -1.26 -4.29 121.76 120.28 3ibs s ALA 56 Ca 0.34 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 3ibs s ALA 56 Cb 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3ibs s ALA 56 CO 0.16 0.40 0.09 -0.59 0.00 0.00 0.00 175.76 175.82 3ibs s PHE 57 N -0.58 0.34 -0.22 0.00 -0.12 -0.45 -5.00 117.98 111.94 3ibs s PHE 57 Ca 0.07 -0.82 -0.29 0.00 -0.05 0.00 0.00 56.93 55.85 3ibs s PHE 57 Cb -0.08 -0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.09 3ibs s PHE 57 CO 0.00 -0.47 1.26 0.99 -0.05 0.00 0.00 175.22 176.95 3ibs s THR 58 N -3.89 4.26 -0.14 -4.49 2.01 -1.26 -1.31 115.64 110.81 3ibs s THR 58 Ca 0.06 1.48 -0.06 0.00 0.31 0.00 0.00 61.69 63.49 3ibs s THR 58 Cb 0.06 -4.09 -0.25 0.00 0.01 0.00 0.00 72.50 68.24 3ibs s THR 58 CO -0.10 -0.27 0.28 1.67 -0.69 0.00 0.00 174.62 175.50 3ibs n GLN 59 N 6.86 0.74 -3.73 4.92 -0.06 -1.26 -4.85 117.38 120.00 3ibs n GLN 59 Ca 0.14 0.26 -0.24 0.00 -2.00 0.00 0.00 57.00 55.16 3ibs n GLN 59 Cb 0.46 -1.68 -0.17 0.00 -4.06 0.00 0.00 30.24 24.78 3ibs n GLN 59 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3ibs s LEU 60 N -7.01 0.68 0.52 1.69 2.96 -1.26 -5.02 118.68 111.24 3ibs s LEU 60 Ca -0.24 -0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 53.11 3ibs s LEU 60 Cb 0.07 -0.43 -0.06 0.00 0.50 0.00 0.00 46.19 46.27 3ibs s LEU 60 CO 0.74 -0.25 1.20 -2.84 -1.32 0.00 0.00 176.35 173.88 3ibs s PRO 61 N 1.98 3.41 0.09 0.98 0.02 -1.26 -4.46 135.00 135.76 3ibs s PRO 61 Ca 0.03 1.83 -0.35 0.00 0.02 0.00 0.00 61.00 62.53 3ibs s PRO 61 Cb -0.14 -2.20 -0.14 0.00 0.02 0.00 0.00 34.50 32.03 3ibs s PRO 61 CO -0.06 -0.85 1.56 1.51 -0.33 0.00 0.00 177.00 178.82 3ibs n ILE 62 N -0.97 0.09 -3.64 2.83 3.06 -1.26 -4.64 119.36 114.83 3ibs n ILE 62 Ca 0.10 -0.02 -0.14 0.00 -2.50 0.00 0.00 62.75 60.20 3ibs n ILE 62 Cb 0.48 -1.37 -0.06 0.00 0.54 0.00 0.00 39.64 39.23 3ibs n ILE 62 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 3ibs s THR 63 N 1.31 0.04 -2.61 9.51 -1.32 0.32 -4.88 115.64 118.01 3ibs s THR 63 Ca 0.83 -0.34 0.25 0.00 -1.21 0.00 0.00 61.69 61.22 3ibs s THR 63 Cb -0.77 -0.91 0.40 0.00 -1.51 0.00 0.00 72.50 69.71 3ibs s THR 63 CO 0.43 -0.19 1.51 -1.54 -2.21 0.00 0.00 174.62 172.62 3ibs n SER 64 N 0.66 2.29 -4.50 8.08 3.41 -1.26 -0.71 113.62 121.59 3ibs n SER 64 Ca -0.19 -1.77 -0.43 0.00 -0.26 0.00 0.00 58.87 56.23 3ibs n SER 64 Cb 0.59 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3ibs n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ibs s ASP 65 N -1.84 6.52 0.21 4.04 -1.08 -1.26 -4.85 116.67 118.41 3ibs s ASP 65 Ca 0.34 -1.65 0.08 0.00 -0.52 0.00 0.00 52.55 50.80 3ibs s ASP 65 Cb 0.20 -2.47 0.13 0.00 -1.46 0.00 0.00 42.92 39.32 3ibs s ASP 65 CO 0.31 -1.30 1.48 1.88 0.52 0.00 0.00 175.17 178.05 3ibs h TYR 66 N 9.32 0.06 -0.07 -5.34 0.05 -1.96 -1.63 116.97 117.40 3ibs h TYR 66 Ca 0.11 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.88 3ibs h TYR 66 Cb 1.02 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 3ibs h TYR 66 CO 1.19 0.79 -0.05 0.82 -1.05 0.00 0.00 178.16 179.86 3ibs h ILE 67 N 0.03 0.86 -0.37 -2.88 1.08 -2.00 -1.67 117.51 112.55 3ibs h ILE 67 Ca -0.01 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.36 3ibs h ILE 67 Cb 1.35 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 3ibs h ILE 67 CO 0.10 0.00 -0.16 0.28 -0.69 0.00 0.00 178.15 177.68 3ibs h SER 68 N -0.05 0.67 -0.41 1.72 0.02 -1.95 -3.05 113.55 110.50 3ibs h SER 68 Ca 0.04 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.84 3ibs h SER 68 Cb 0.11 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 3ibs h SER 68 CO -0.10 0.85 0.13 0.00 -1.14 0.00 0.00 176.83 176.57 3ibs h ALA 69 N 1.21 0.48 0.00 3.77 0.00 -0.98 -0.58 119.26 123.16 3ibs h ALA 69 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ibs h ALA 69 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ibs h ALA 69 CO 0.04 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.66 3ibs n LYS 70 N -5.03 0.16 0.00 0.00 5.02 -0.66 -1.93 118.16 115.73 3ibs n LYS 70 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3ibs n LYS 70 Cb 0.16 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3ibs n LYS 70 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3ibs n PHE 72 N 0.82 0.00 -0.11 2.13 3.01 -0.23 -2.55 117.46 120.53 3ibs n PHE 72 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 3ibs n PHE 72 Cb 0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 3ibs n PHE 72 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3ibs h LEU 73 N 0.00 0.46 -1.76 4.37 5.85 -1.64 -3.15 115.31 119.43 3ibs h LEU 73 Ca 0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3ibs h LEU 73 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3ibs h LEU 73 CO 0.00 0.52 0.17 -0.08 -0.34 0.00 0.00 178.44 178.70 3ibs h GLU 74 N 0.37 0.32 0.00 1.25 4.22 -1.79 -2.00 114.58 116.95 3ibs h GLU 74 Ca 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.53 3ibs h GLU 74 Cb 0.21 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3ibs h GLU 74 CO -0.01 0.21 0.00 -1.13 -2.18 0.00 0.00 179.01 175.91 3ibs n SER 75 N -4.50 0.00 -4.69 1.04 3.41 -1.19 -4.85 113.62 102.84 3ibs n SER 75 Ca 0.01 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.14 3ibs n SER 75 Cb 0.08 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 3ibs n SER 75 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ibs s ILE 76 N -2.63 3.60 0.17 -1.33 1.01 -0.75 -4.99 121.20 116.29 3ibs s ILE 76 Ca 0.26 1.01 -0.16 0.00 0.00 0.00 0.00 60.65 61.76 3ibs s ILE 76 Cb 0.20 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 39.04 3ibs s ILE 76 CO 0.46 0.00 0.47 -0.94 0.00 0.00 0.00 174.94 174.94 3ibs s SER 77 N 1.88 -0.23 0.55 3.58 1.04 -1.26 -5.06 113.70 114.20 3ibs s SER 77 Ca 0.65 -0.46 0.24 0.00 0.48 0.00 0.00 55.95 56.85 3ibs s SER 77 Cb -0.33 0.54 1.47 0.00 0.10 0.00 0.00 66.02 67.80 3ibs s SER 77 CO 0.27 -0.98 2.10 -0.65 0.98 0.00 0.00 173.24 174.96 3ibs h PRO 78 N 2.27 0.00 0.00 4.02 0.11 -1.93 -1.78 132.00 134.69 3ibs h PRO 78 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ibs h PRO 78 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ibs h PRO 78 CO 0.41 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.07 3ibs n SER 79 N -4.21 0.58 0.16 -2.05 3.41 -1.26 -1.95 113.62 108.30 3ibs n SER 79 Ca 0.02 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 3ibs n SER 79 Cb 0.31 -0.81 0.65 0.00 -0.26 0.00 0.00 64.21 64.10 3ibs n SER 79 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ibs h LEU 80 N 0.00 0.02 -7.61 1.04 3.38 -1.70 -3.39 115.31 107.04 3ibs h LEU 80 Ca 0.00 -0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3ibs h LEU 80 Cb 0.17 -0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.54 3ibs h LEU 80 CO 0.00 0.01 -0.79 -0.63 0.09 0.00 0.00 178.44 177.12 3ibs s ILE 81 N -5.07 0.83 -0.02 1.22 1.01 -0.82 -5.04 121.20 113.31 3ibs s ILE 81 Ca -0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 3ibs s ILE 81 Cb 0.18 -0.92 -0.29 0.00 0.01 0.00 0.00 42.46 41.44 3ibs s ILE 81 CO 0.69 0.29 0.79 0.77 0.00 0.00 0.00 174.94 177.49 3ibs h SER 82 N 8.22 0.50 -2.45 3.58 4.64 -1.78 -3.45 113.55 122.81 3ibs h SER 82 Ca -0.26 -0.71 -0.53 0.00 -0.47 0.00 0.00 61.79 59.82 3ibs h SER 82 Cb 1.13 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 63.07 3ibs h SER 82 CO 0.36 1.59 1.18 -0.75 -0.87 0.00 0.00 176.83 178.34 3ibs s LYS 83 N -2.60 4.15 0.44 4.77 2.20 -1.26 -4.98 119.74 122.46 3ibs s LYS 83 Ca -0.12 2.56 -0.03 0.00 -0.36 0.00 0.00 55.97 58.02 3ibs s LYS 83 Cb 0.06 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3ibs s LYS 83 CO 0.86 -0.91 0.71 -0.65 -0.36 0.00 0.00 175.35 175.00 3ibs s GLN 84 N 3.90 3.47 0.00 4.03 -1.52 -1.26 -1.05 119.66 127.24 3ibs s GLN 84 Ca 0.85 -0.01 0.00 0.00 -1.95 0.00 0.00 55.36 54.25 3ibs s GLN 84 Cb -0.43 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.90 3ibs s GLN 84 CO 0.39 -0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.71 3ibs n GLY 85 N -2.12 0.09 2.25 3.09 0.00 -1.26 -3.71 105.19 103.52 3ibs n GLY 85 Ca -0.01 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 3ibs n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ibs n THR 86 N 2.37 0.03 -1.82 2.61 -1.04 -1.18 -3.29 114.28 111.95 3ibs n THR 86 Ca 0.00 -4.30 -0.41 0.00 -2.04 0.00 0.00 64.05 57.30 3ibs n THR 86 Cb 0.00 -1.96 -0.01 0.00 -1.82 0.00 0.00 70.33 66.54 3ibs n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ibs n ALA 87 N 1.25 6.47 -0.26 2.41 0.00 0.55 -4.58 120.51 126.36 3ibs n ALA 87 Ca 0.23 -3.94 -0.06 0.00 0.00 0.00 0.00 53.44 49.67 3ibs n ALA 87 Cb 0.50 -3.14 0.05 0.00 0.00 0.00 0.00 19.45 16.87 3ibs n ALA 87 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ibs h ILE 88 N 3.24 1.24 0.02 0.00 2.04 -1.96 -2.40 117.51 119.68 3ibs h ILE 88 Ca 0.66 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3ibs h ILE 88 Cb 0.43 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3ibs h ILE 88 CO 1.68 0.28 -0.06 1.23 0.00 0.00 0.00 178.15 181.28 3ibs h GLY 89 N 1.00 -0.08 0.46 5.37 0.00 -1.84 -0.43 103.07 107.54 3ibs h GLY 89 Ca 0.24 0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.76 3ibs h GLY 89 CO -0.03 -0.07 0.57 0.83 0.00 0.00 0.00 176.54 177.84 3ibs h GLU 90 N -0.12 0.88 -0.27 4.80 5.08 -1.90 0.27 114.58 123.32 3ibs h GLU 90 Ca 0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3ibs h GLU 90 Cb 0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ibs h GLU 90 CO -0.05 0.58 -0.08 0.00 -1.00 0.00 0.00 179.01 178.46 3ibs h ALA 91 N 1.52 0.37 -0.62 3.43 0.00 -0.98 -0.16 119.26 122.83 3ibs h ALA 91 Ca 0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3ibs h ALA 91 Cb 0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ibs h ALA 91 CO -0.27 0.20 0.33 0.82 0.00 0.00 0.00 179.25 180.33 3ibs h ILE 92 N 0.28 1.20 -0.59 0.00 2.04 -0.80 0.80 117.51 120.45 3ibs h ILE 92 Ca 0.07 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 3ibs h ILE 92 Cb 0.57 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3ibs h ILE 92 CO 0.03 0.22 0.12 0.78 0.00 0.00 0.00 178.15 179.30 3ibs h ASN 93 N 0.84 0.91 -0.62 1.72 2.35 -0.82 -1.36 115.58 118.61 3ibs h ASN 93 Ca 0.22 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3ibs h ASN 93 Cb 0.06 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3ibs h ASN 93 CO -0.03 0.92 0.26 0.25 -1.65 0.00 0.00 177.43 177.18 3ibs h LEU 94 N 0.86 0.84 -0.56 1.61 5.85 -0.75 -2.89 115.31 120.27 3ibs h LEU 94 Ca 0.18 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3ibs h LEU 94 Cb 0.38 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3ibs h LEU 94 CO 0.01 0.77 0.32 0.00 -0.34 0.00 0.00 178.44 179.20 3ibs h ALA 95 N 1.10 0.72 -0.32 1.25 0.00 -0.41 -2.40 119.26 119.19 3ibs h ALA 95 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ibs h ALA 95 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ibs h ALA 95 CO -0.02 0.02 0.22 1.79 0.00 0.00 0.00 179.25 181.25 3ibs h THR 96 N 0.63 1.08 0.00 0.00 1.35 -1.11 -0.63 112.91 114.22 3ibs h THR 96 Ca 0.23 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 3ibs h THR 96 Cb 0.07 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 3ibs h THR 96 CO -0.12 0.08 0.00 0.54 -0.25 0.00 0.00 175.52 175.77 3ibs n ARG 97 N -4.49 0.23 0.00 4.72 1.74 -0.92 -4.04 116.66 113.89 3ibs n ARG 97 Ca 0.02 0.08 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 3ibs n ARG 97 Cb 0.07 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3ibs n ARG 97 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ibs n SER 98 N -1.35 1.91 -4.87 0.55 7.64 -0.25 -4.97 113.62 112.28 3ibs n SER 98 Ca 0.09 -1.46 -0.31 0.00 1.01 0.00 0.00 58.87 58.21 3ibs n SER 98 Cb 0.21 0.25 0.01 0.00 -1.01 0.00 0.00 64.21 63.67 3ibs n SER 98 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ibs s PHE 99 N -1.59 3.62 0.75 1.43 0.08 -1.23 -4.63 117.98 116.42 3ibs s PHE 99 Ca 0.15 1.24 -0.13 0.00 0.12 0.00 0.00 56.93 58.31 3ibs s PHE 99 Cb 0.13 -2.68 0.05 0.00 -0.57 0.00 0.00 43.02 39.95 3ibs s PHE 99 CO 0.30 -0.65 1.14 0.95 -0.10 0.00 0.00 175.22 176.86 3ibs s THR 100 N -3.13 2.81 0.30 0.64 -4.23 -1.26 -4.94 115.64 105.83 3ibs s THR 100 Ca 0.54 0.33 0.22 0.00 -1.18 0.00 0.00 61.69 61.60 3ibs s THR 100 Cb -0.11 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.17 3ibs s THR 100 CO 0.53 -0.28 1.90 1.55 -0.54 0.00 0.00 174.62 177.78 3ibs h PRO 101 N -0.69 0.00 -6.12 3.99 0.13 -1.99 -3.46 132.00 123.87 3ibs h PRO 101 Ca -0.45 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.91 3ibs h PRO 101 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 3ibs h PRO 101 CO 0.50 0.25 0.85 0.94 -0.23 0.00 0.00 178.00 180.31 3ibs n GLN 102 N -3.67 0.91 -2.47 0.86 7.27 -1.26 -4.98 117.38 114.05 3ibs n GLN 102 Ca -0.01 0.33 -0.31 0.00 0.07 0.00 0.00 57.00 57.08 3ibs n GLN 102 Cb 0.37 -1.98 -0.02 0.00 2.41 0.00 0.00 30.24 31.02 3ibs n GLN 102 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3ibs s GLU 103 N 3.37 3.81 0.00 3.69 -6.30 -1.26 -4.30 118.70 117.70 3ibs s GLU 103 Ca 1.00 0.72 0.00 0.00 -2.50 0.00 0.00 54.97 54.18 3ibs s GLU 103 Cb -1.16 -2.22 0.00 0.00 0.00 0.00 0.00 34.13 30.75 3ibs s GLU 103 CO 0.69 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3ibs n GLY 104 N -1.74 0.75 3.35 -1.50 0.00 -1.26 -5.07 105.19 99.72 3ibs n GLY 104 Ca 0.05 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3ibs n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibs s VAL 105 N -2.00 2.87 0.23 1.61 1.01 -1.26 -5.09 120.40 117.77 3ibs s VAL 105 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3ibs s VAL 105 Cb 0.00 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 3ibs s VAL 105 CO 0.00 0.54 1.47 -0.83 0.00 0.00 0.00 175.10 176.27 3ibs s GLY 106 N 0.26 2.15 -0.02 4.51 0.00 -1.26 -4.93 107.32 108.03 3ibs s GLY 106 Ca -0.11 1.34 0.01 0.00 0.00 0.00 0.00 44.72 45.96 3ibs s GLY 106 CO 0.06 2.36 -0.01 0.50 0.00 0.00 0.00 173.10 176.01 3ibs s ARG 107 N -0.01 0.27 0.02 2.90 0.52 -1.26 -1.49 118.95 119.90 3ibs s ARG 107 Ca 0.62 -0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.86 3ibs s ARG 107 Cb -0.42 -0.36 -0.02 0.00 0.52 0.00 0.00 34.95 34.67 3ibs s ARG 107 CO 0.40 -0.04 -0.12 0.00 0.02 0.00 0.00 175.30 175.56 3ibs s ALA 108 N 0.50 1.03 -0.15 2.13 0.00 -0.19 -1.30 121.76 123.78 3ibs s ALA 108 Ca -0.05 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 3ibs s ALA 108 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3ibs s ALA 108 CO -0.01 0.20 -0.09 0.42 0.00 0.00 0.00 175.76 176.28 3ibs s ILE 109 N -0.66 3.35 -0.31 0.00 1.01 -0.38 -1.00 121.20 123.21 3ibs s ILE 109 Ca 0.02 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3ibs s ILE 109 Cb -0.07 -2.44 0.07 0.00 0.01 0.00 0.00 42.46 40.04 3ibs s ILE 109 CO 0.01 0.50 -0.01 -0.63 0.00 0.00 0.00 174.94 174.81 3ibs s ILE 110 N 0.51 2.50 -0.15 2.92 1.01 0.05 -0.70 121.20 127.33 3ibs s ILE 110 Ca -0.07 -1.81 -0.21 0.00 0.00 0.00 0.00 60.65 58.57 3ibs s ILE 110 Cb -0.15 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3ibs s ILE 110 CO 0.04 -0.26 0.62 -0.69 0.00 0.00 0.00 174.94 174.64 3ibs s VAL 111 N 1.09 5.06 -0.24 2.92 1.01 0.08 -0.36 120.40 129.95 3ibs s VAL 111 Ca -0.01 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.18 3ibs s VAL 111 Cb -0.20 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.28 3ibs s VAL 111 CO -0.05 0.19 -0.11 -0.63 0.00 0.00 0.00 175.10 174.50 3ibs s ILE 112 N 1.39 2.42 0.18 2.22 1.01 -0.41 -0.62 121.20 127.37 3ibs s ILE 112 Ca 0.30 -1.28 -0.23 0.00 0.00 0.00 0.00 60.65 59.44 3ibs s ILE 112 Cb -0.16 -2.27 0.06 0.00 0.01 0.00 0.00 42.46 40.10 3ibs s ILE 112 CO 0.12 0.16 0.70 0.28 0.00 0.00 0.00 174.94 176.21 3ibs s THR 113 N 1.22 0.00 -2.26 2.92 -1.32 -0.84 -1.36 115.64 114.00 3ibs s THR 113 Ca -0.03 -0.36 0.28 0.00 -1.21 0.00 0.00 61.69 60.37 3ibs s THR 113 Cb -0.17 -1.39 0.53 0.00 -1.51 0.00 0.00 72.50 69.96 3ibs s THR 113 CO -0.06 0.00 1.77 -0.90 -2.21 0.00 0.00 174.62 173.21 3ibs n ASP 114 N -0.40 1.20 -1.81 8.08 5.68 -1.26 -1.40 116.55 126.64 3ibs n ASP 114 Ca -0.11 -1.28 -0.21 0.00 -0.50 0.00 0.00 54.79 52.69 3ibs n ASP 114 Cb 0.62 0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.56 3ibs n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ibs n GLY 115 N 1.19 1.31 3.74 6.12 0.00 -1.26 -0.47 105.19 115.82 3ibs n GLY 115 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3ibs n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ibs s GLU 116 N -4.10 4.33 -1.50 1.61 2.12 -1.26 -4.24 118.70 115.66 3ibs s GLU 116 Ca 0.00 0.66 -0.13 0.00 0.36 0.00 0.00 54.97 55.86 3ibs s GLU 116 Cb 0.00 -3.39 0.07 0.00 0.26 0.00 0.00 34.13 31.08 3ibs s GLU 116 CO 0.00 0.25 0.99 0.09 -0.54 0.00 0.00 175.26 176.05 3ibs n ASN 117 N 3.20 -5.09 -4.72 -1.70 3.02 -1.26 -4.71 115.26 104.01 3ibs n ASN 117 Ca -0.06 -0.72 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 3ibs n ASN 117 Cb 0.51 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 3ibs n ASN 117 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ibs s HIS 118 N -3.28 3.41 -1.43 3.10 5.65 -1.26 -4.53 115.29 116.94 3ibs s HIS 118 Ca 0.64 1.29 0.29 0.00 0.25 0.00 0.00 55.06 57.54 3ibs s HIS 118 Cb -0.32 -3.45 1.35 0.00 -1.18 0.00 0.00 32.58 28.98 3ibs s HIS 118 CO 0.79 -1.39 1.95 0.39 -0.65 0.00 0.00 174.74 175.83 3ibs n GLU 119 N 3.51 0.45 0.00 2.88 -0.58 -1.26 -5.02 120.64 120.61 3ibs n GLU 119 Ca 0.08 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3ibs n GLU 119 Cb 0.45 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 3ibs n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ibs n GLY 120 N 1.32 3.25 0.00 0.62 0.00 -1.26 -5.06 105.19 104.05 3ibs n GLY 120 Ca 0.13 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3ibs n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibs n GLY 121 N -0.43 0.84 0.25 -0.02 0.00 -1.26 -4.87 105.19 99.70 3ibs n GLY 121 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 3ibs n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibs h ALA 122 N 0.00 0.81 -0.40 4.61 0.00 -1.91 0.45 119.26 122.82 3ibs h ALA 122 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3ibs h ALA 122 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3ibs h ALA 122 CO 0.00 0.24 -0.22 0.28 0.00 0.00 0.00 179.25 179.56 3ibs h VAL 123 N 0.87 1.28 -0.40 0.00 2.07 -1.93 0.05 116.25 118.18 3ibs h VAL 123 Ca 0.23 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3ibs h VAL 123 Cb -0.10 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ibs h VAL 123 CO -0.05 0.46 0.20 -0.33 0.02 0.00 0.00 177.57 177.87 3ibs h GLU 124 N 0.66 0.57 -0.79 1.57 3.07 -1.95 -0.91 114.58 116.80 3ibs h GLU 124 Ca 0.09 -0.08 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3ibs h GLU 124 Cb 0.78 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.53 3ibs h GLU 124 CO 0.06 0.49 0.49 0.00 -1.40 0.00 0.00 179.01 178.66 3ibs h ALA 125 N 1.05 1.05 -0.43 3.43 0.00 -0.70 -0.56 119.26 123.09 3ibs h ALA 125 Ca 0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3ibs h ALA 125 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ibs h ALA 125 CO -0.02 0.28 -0.26 0.00 0.00 0.00 0.00 179.25 179.25 3ibs h ALA 126 N 1.34 0.73 -0.20 0.00 0.00 -0.74 -1.27 119.26 119.13 3ibs h ALA 126 Ca 0.32 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ibs h ALA 126 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ibs h ALA 126 CO -0.13 0.66 0.10 -0.22 0.00 0.00 0.00 179.25 179.66 3ibs h LYS 127 N 0.77 0.29 -0.62 0.00 3.64 -0.89 -0.87 116.57 118.89 3ibs h LYS 127 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ibs h LYS 127 Cb 0.82 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3ibs h LYS 127 CO 0.07 0.31 0.40 0.00 -2.27 0.00 0.00 179.45 177.96 3ibs h ALA 128 N 0.96 1.54 -0.32 5.00 0.00 -0.94 -0.69 119.26 124.81 3ibs h ALA 128 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ibs h ALA 128 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ibs h ALA 128 CO -0.01 0.42 0.09 0.00 0.00 0.00 0.00 179.25 179.75 3ibs h ALA 129 N 1.60 0.42 -0.78 0.00 0.00 -1.02 -3.00 119.26 116.48 3ibs h ALA 129 Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ibs h ALA 129 Cb -0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3ibs h ALA 129 CO -0.05 0.07 0.52 0.00 0.00 0.00 0.00 179.25 179.79 3ibs h ALA 130 N 0.93 1.58 0.00 0.00 0.00 -0.38 -0.64 119.26 120.75 3ibs h ALA 130 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ibs h ALA 130 Cb 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ibs h ALA 130 CO -0.00 0.33 -0.07 0.93 0.00 0.00 0.00 179.25 180.44 3ibs h GLU 131 N 0.91 0.00 -0.44 0.00 5.08 -1.02 -1.59 114.58 117.52 3ibs h GLU 131 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3ibs h GLU 131 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ibs h GLU 131 CO -0.10 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.60 3ibs n LYS 132 N -4.33 2.03 -1.01 2.33 5.02 -0.34 -4.90 118.16 116.96 3ibs n LYS 132 Ca -0.03 -1.52 -0.00 0.00 -2.02 0.00 0.00 58.31 54.74 3ibs n LYS 132 Cb 0.15 -1.35 -0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3ibs n LYS 132 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ibs n GLY 133 N 1.12 0.46 3.71 0.72 0.00 -0.60 -5.04 105.19 105.57 3ibs n GLY 133 Ca 0.14 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3ibs n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ibs s ILE 134 N -1.99 5.35 -0.23 -0.61 1.01 -0.65 -4.44 121.20 119.63 3ibs s ILE 134 Ca 0.00 0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.86 3ibs s ILE 134 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3ibs s ILE 134 CO 0.00 0.39 0.37 -1.10 0.00 0.00 0.00 174.94 174.61 3ibs s GLN 135 N 0.58 4.10 -0.32 2.79 -0.21 -0.42 -3.00 119.66 123.19 3ibs s GLN 135 Ca 0.12 0.11 -0.13 0.00 0.02 0.00 0.00 55.36 55.48 3ibs s GLN 135 Cb -0.12 -3.59 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 3ibs s GLN 135 CO 0.02 -0.13 0.25 0.08 -2.12 0.00 0.00 175.29 173.39 3ibs s VAL 136 N 1.62 5.27 0.21 1.09 1.01 0.63 -1.25 120.40 128.98 3ibs s VAL 136 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3ibs s VAL 136 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3ibs s VAL 136 CO 0.08 0.07 0.08 -0.44 0.00 0.00 0.00 175.10 174.89 3ibs s SER 137 N 1.73 5.11 -0.05 3.32 0.01 0.12 -2.27 113.70 121.67 3ibs s SER 137 Ca 0.08 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.01 3ibs s SER 137 Cb -0.17 -1.19 0.02 0.00 0.21 0.00 0.00 66.02 64.89 3ibs s SER 137 CO 0.11 0.04 -0.05 -0.69 0.41 0.00 0.00 173.24 173.06 3ibs s VAL 138 N -1.94 0.58 -0.31 3.43 1.01 -0.36 -0.75 120.40 122.07 3ibs s VAL 138 Ca 0.30 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 3ibs s VAL 138 Cb -0.09 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3ibs s VAL 138 CO 0.22 0.25 0.11 -0.76 0.00 0.00 0.00 175.10 174.91 3ibs s LEU 139 N 1.08 4.01 -0.26 3.92 1.02 0.20 -1.75 118.68 126.91 3ibs s LEU 139 Ca -0.08 -0.72 -0.16 0.00 0.02 0.00 0.00 54.13 53.19 3ibs s LEU 139 Cb -0.14 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 3ibs s LEU 139 CO -0.01 -0.22 0.42 -0.83 0.02 0.00 0.00 176.35 175.73 3ibs s GLY 140 N 1.52 1.89 -0.14 -3.19 0.00 0.34 -1.99 107.32 105.75 3ibs s GLY 140 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.02 3ibs s GLY 140 CO 0.04 1.04 -0.14 -1.34 0.00 0.00 0.00 173.10 172.69 3ibs s VAL 141 N 2.06 2.83 0.00 1.40 -7.23 -0.49 0.39 120.40 119.35 3ibs s VAL 141 Ca 0.17 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 3ibs s VAL 141 Cb -0.16 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.60 3ibs s VAL 141 CO 0.09 0.52 0.00 0.61 -0.31 0.00 0.00 175.10 176.01 3ibs n GLY 142 N 3.82 0.55 0.04 2.32 0.00 -1.26 -4.10 105.19 106.55 3ibs n GLY 142 Ca -0.19 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 3ibs n GLY 142 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ibs n PRO 144 N 0.00 2.55 0.04 1.61 -0.02 -1.26 -4.68 135.00 133.24 3ibs n PRO 144 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.60 3ibs n PRO 144 Cb 0.00 -1.18 0.46 0.00 -0.02 0.00 0.00 33.50 32.76 3ibs n PRO 144 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ibs n GLU 145 N -2.32 0.09 0.00 -0.52 4.71 -1.26 -4.49 120.64 116.84 3ibs n GLU 145 Ca -0.12 0.20 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 3ibs n GLU 145 Cb 0.72 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 29.52 3ibs n GLU 145 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ibs n GLY 146 N 0.72 2.26 3.11 0.62 0.00 -1.26 -5.00 105.19 105.63 3ibs n GLY 146 Ca 0.05 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 3ibs n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibs s ALA 147 N -1.75 -0.31 0.84 4.61 0.00 -0.14 -4.90 121.76 120.11 3ibs s ALA 147 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 3ibs s ALA 147 Cb 0.00 0.12 0.11 0.00 0.00 0.00 0.00 23.12 23.35 3ibs s ALA 147 CO 0.00 -0.21 1.21 -1.25 0.00 0.00 0.00 175.76 175.50 3ibs s PRO 148 N -1.42 1.63 -0.33 0.00 0.04 -1.26 -0.56 135.00 133.10 3ibs s PRO 148 Ca -0.15 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.84 3ibs s PRO 148 Cb -0.08 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.60 3ibs s PRO 148 CO 0.01 -1.79 0.03 0.42 0.04 0.00 0.00 177.00 175.72 3ibs s ILE 149 N -3.64 2.70 0.63 0.56 1.01 -1.25 -4.34 121.20 116.87 3ibs s ILE 149 Ca 0.65 -1.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.30 3ibs s ILE 149 Cb -0.09 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 3ibs s ILE 149 CO 0.50 -0.35 1.15 -2.16 0.00 0.00 0.00 174.94 174.07 3ibs s PRO 150 N 1.10 2.84 -0.25 2.79 0.04 -1.26 -0.62 135.00 139.64 3ibs s PRO 150 Ca 0.01 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 3ibs s PRO 150 Cb -0.20 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3ibs s PRO 150 CO -0.04 -1.25 0.12 0.08 0.04 0.00 0.00 177.00 175.95 3ibs s VAL 151 N -2.03 4.86 0.11 -0.36 1.01 -0.30 -4.71 120.40 118.99 3ibs s VAL 151 Ca 0.71 0.01 -0.35 0.00 0.00 0.00 0.00 61.98 62.36 3ibs s VAL 151 Cb -0.24 -3.28 -0.17 0.00 0.00 0.00 0.00 36.38 32.68 3ibs s VAL 151 CO 0.37 0.32 1.05 1.21 0.00 0.00 0.00 175.10 178.06 3ibs n GLU 152 N 4.70 0.61 0.00 2.72 4.07 -1.26 -1.99 120.64 129.49 3ibs n GLU 152 Ca -0.15 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 3ibs n GLU 152 Cb 0.52 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 3ibs n GLU 152 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ibs n GLY 153 N 1.91 3.08 3.89 8.31 0.00 -1.26 -4.97 105.19 116.16 3ibs n GLY 153 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3ibs n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ibs s THR 154 N -1.34 1.67 -0.50 2.61 -4.23 -0.84 -5.03 115.64 107.98 3ibs s THR 154 Ca 0.00 -1.51 0.15 0.00 -1.18 0.00 0.00 61.69 59.15 3ibs s THR 154 Cb 0.00 -2.18 0.56 0.00 1.34 0.00 0.00 72.50 72.21 3ibs s THR 154 CO 0.00 0.00 1.47 0.59 -0.54 0.00 0.00 174.62 176.14 3ibs n ASN 155 N -1.73 4.09 -4.90 3.99 3.02 -1.26 -4.75 115.26 113.72 3ibs n ASN 155 Ca -0.02 -2.70 -0.21 0.00 -0.03 0.00 0.00 54.58 51.62 3ibs n ASN 155 Cb 0.64 -0.50 0.07 0.00 -0.61 0.00 0.00 39.78 39.38 3ibs n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ibs s ASP 156 N -1.42 4.93 0.07 6.41 -1.08 -1.26 -4.99 116.67 119.32 3ibs s ASP 156 Ca 0.41 -0.55 0.03 0.00 -0.52 0.00 0.00 52.55 51.93 3ibs s ASP 156 Cb 0.30 -0.04 -0.03 0.00 -1.46 0.00 0.00 42.92 41.69 3ibs s ASP 156 CO 0.14 -1.43 -0.10 -0.31 0.52 0.00 0.00 175.17 173.99 3ibs s TYR 157 N -2.80 0.93 0.36 -5.34 2.02 -1.26 -1.14 117.35 110.12 3ibs s TYR 157 Ca 0.62 -0.58 -0.28 0.00 -0.37 0.00 0.00 57.07 56.45 3ibs s TYR 157 Cb -0.07 -0.53 -0.11 0.00 -0.40 0.00 0.00 41.96 40.85 3ibs s TYR 157 CO 0.40 -0.03 1.51 1.03 -1.57 0.00 0.00 175.55 176.88 3ibs s ARG 158 N -2.23 4.11 0.08 -0.62 0.52 0.21 -4.86 118.95 116.15 3ibs s ARG 158 Ca -0.01 2.57 0.08 0.00 -0.52 0.00 0.00 55.73 57.85 3ibs s ARG 158 Cb -0.06 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 3ibs s ARG 158 CO 0.00 -0.55 -0.20 1.03 0.02 0.00 0.00 175.30 175.60 3ibs s ARG 159 N -1.81 1.18 1.02 3.54 0.52 -1.26 -1.43 118.95 120.70 3ibs s ARG 159 Ca 0.55 -1.06 -0.17 0.00 -0.52 0.00 0.00 55.73 54.53 3ibs s ARG 159 Cb -0.47 -1.37 0.24 0.00 0.52 0.00 0.00 34.95 33.88 3ibs s ARG 159 CO 0.61 0.33 1.13 -0.40 0.02 0.00 0.00 175.30 176.98 3ibs n ASP 160 N 1.39 -0.91 -0.32 0.23 5.68 0.29 -4.86 116.55 118.05 3ibs n ASP 160 Ca -0.19 -1.29 0.05 0.00 -0.50 0.00 0.00 54.79 52.87 3ibs n ASP 160 Cb 0.54 -0.94 0.21 0.00 -1.14 0.00 0.00 41.12 39.78 3ibs n ASP 160 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3ibs h ARG 161 N 0.00 0.81 -0.00 0.11 -0.00 -2.02 -1.18 114.38 112.11 3ibs h ARG 161 Ca -0.39 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 3ibs h ARG 161 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 29.97 30.92 3ibs h ARG 161 CO 0.27 0.54 -0.01 0.39 0.00 0.00 0.00 179.97 181.15 3ibs n GLU 162 N -4.72 0.68 -0.14 0.04 1.02 -1.26 -4.88 120.64 111.38 3ibs n GLU 162 Ca 0.16 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3ibs n GLU 162 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3ibs n GLU 162 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ibs n GLY 163 N 1.19 0.79 3.78 0.62 0.00 -0.44 -5.07 105.19 106.05 3ibs n GLY 163 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3ibs n GLY 163 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ibs s ASN 164 N -2.40 7.26 0.02 1.61 0.01 -1.26 -4.73 114.94 115.45 3ibs s ASN 164 Ca 0.00 1.49 -0.35 0.00 -0.71 0.00 0.00 52.86 53.29 3ibs s ASN 164 Cb 0.00 -2.45 -0.13 0.00 0.41 0.00 0.00 41.25 39.08 3ibs s ASN 164 CO 0.00 0.20 1.70 0.52 -1.51 0.00 0.00 177.10 178.02 3ibs n VAL 165 N 1.81 0.27 -2.58 1.60 0.31 -1.26 -0.55 118.33 117.94 3ibs n VAL 165 Ca -0.07 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 3ibs n VAL 165 Cb 0.50 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.78 3ibs n VAL 165 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ibs s ILE 166 N 2.41 4.46 -0.15 2.52 1.01 -0.51 -4.86 121.20 126.07 3ibs s ILE 166 Ca 0.86 1.78 0.00 0.00 0.00 0.00 0.00 60.65 63.30 3ibs s ILE 166 Cb -0.73 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 37.60 3ibs s ILE 166 CO 0.46 0.15 -0.14 -0.69 0.00 0.00 0.00 174.94 174.72 3ibs s VAL 167 N 0.95 2.77 -0.10 2.92 1.01 -1.26 -3.91 120.40 122.78 3ibs s VAL 167 Ca 0.55 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3ibs s VAL 167 Cb -0.25 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3ibs s VAL 167 CO 0.29 0.51 -0.10 0.28 0.00 0.00 0.00 175.10 176.08 3ibs s THR 168 N 0.75 3.41 0.05 3.92 -1.32 0.28 -4.83 115.64 117.90 3ibs s THR 168 Ca -0.06 -0.56 0.09 0.00 -1.21 0.00 0.00 61.69 59.94 3ibs s THR 168 Cb -0.15 -2.42 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 3ibs s THR 168 CO 0.01 0.55 -0.23 -0.13 -2.21 0.00 0.00 174.62 172.61 3ibs s ARG 169 N -0.22 1.86 0.18 7.08 0.52 -1.26 -0.96 118.95 126.15 3ibs s ARG 169 Ca 0.02 -1.09 -0.31 0.00 -0.52 0.00 0.00 55.73 53.83 3ibs s ARG 169 Cb -0.13 -2.06 -0.09 0.00 0.52 0.00 0.00 34.95 33.19 3ibs s ARG 169 CO 0.03 0.52 1.42 -1.17 0.02 0.00 0.00 175.30 176.11 3ibs s LEU 170 N -1.43 4.39 -0.69 2.53 2.96 -1.26 -4.57 118.68 120.60 3ibs s LEU 170 Ca 0.13 2.50 -0.11 0.00 -0.22 0.00 0.00 54.13 56.43 3ibs s LEU 170 Cb -0.10 -3.60 0.18 0.00 0.50 0.00 0.00 46.19 43.16 3ibs s LEU 170 CO 0.04 -0.67 0.60 0.21 -1.32 0.00 0.00 176.35 175.21 3ibs s ASN 171 N 0.72 6.21 0.20 3.68 3.84 0.38 -4.25 114.94 125.71 3ibs s ASN 171 Ca 0.62 -2.47 -0.09 0.00 0.21 0.00 0.00 52.86 51.13 3ibs s ASN 171 Cb -0.40 -2.11 0.11 0.00 -0.55 0.00 0.00 41.25 38.31 3ibs s ASN 171 CO 0.36 -0.59 1.71 -0.08 -2.79 0.00 0.00 177.10 175.71 3ibs h GLU 172 N 7.90 1.13 0.00 0.43 4.81 -1.93 -2.72 114.58 124.19 3ibs h GLU 172 Ca -0.03 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3ibs h GLU 172 Cb 1.04 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.27 3ibs h GLU 172 CO 0.81 1.00 0.00 0.41 -0.73 0.00 0.00 179.01 180.49 3ibs n GLY 173 N -0.65 0.00 1.25 1.92 0.00 -1.26 -0.87 105.19 105.57 3ibs n GLY 173 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ibs n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibs h GLN 176 N 0.00 1.06 -0.55 0.00 4.20 -1.29 -2.18 115.11 116.36 3ibs h GLN 176 Ca 0.00 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 3ibs h GLN 176 Cb 0.00 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3ibs h GLN 176 CO 0.00 1.05 0.27 0.93 -0.67 0.00 0.00 178.83 180.41 3ibs h GLU 177 N 0.96 0.78 -0.14 1.46 5.08 -1.64 -0.78 114.58 120.29 3ibs h GLU 177 Ca 0.16 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ibs h GLU 177 Cb 0.60 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3ibs h GLU 177 CO 0.04 0.63 0.08 0.82 -1.00 0.00 0.00 179.01 179.58 3ibs h ILE 178 N 0.73 1.09 -0.57 3.13 2.04 -1.81 -2.05 117.51 120.07 3ibs h ILE 178 Ca 0.19 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 3ibs h ILE 178 Cb 0.10 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3ibs h ILE 178 CO -0.03 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 178.14 3ibs h ALA 179 N 0.99 0.78 0.48 1.87 0.00 -1.24 -0.62 119.26 121.52 3ibs h ALA 179 Ca 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3ibs h ALA 179 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ibs h ALA 179 CO -0.01 0.67 -0.27 -0.22 0.00 0.00 0.00 179.25 179.42 3ibs h LYS 180 N 0.94 -0.67 0.00 0.00 3.64 -1.02 -0.89 116.57 118.57 3ibs h LYS 180 Ca 0.15 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3ibs h LYS 180 Cb 0.63 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3ibs h LYS 180 CO 0.04 -0.45 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.10 3ibs h ASP 181 N -0.70 0.00 0.30 4.20 5.19 -1.39 -1.78 116.42 122.25 3ibs h ASP 181 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3ibs h ASP 181 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 3ibs h ASP 181 CO 0.08 0.23 -0.05 0.61 -3.12 0.00 0.00 179.24 176.99 3ibs n GLY 182 N -0.26 -0.96 2.35 2.75 0.00 -0.24 -3.97 105.19 104.87 3ibs n GLY 182 Ca -0.01 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 3ibs n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ibs n LYS 183 N -0.95 -1.28 0.00 1.61 4.76 -0.46 -0.27 118.16 121.56 3ibs n LYS 183 Ca 0.17 0.87 0.00 0.00 -2.87 0.00 0.00 58.31 56.48 3ibs n LYS 183 Cb 0.24 -5.24 0.00 0.00 -1.84 0.00 0.00 35.03 28.19 3ibs n LYS 183 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ibs n GLY 184 N -1.00 4.69 3.49 0.72 0.00 -0.49 -4.62 105.19 107.98 3ibs n GLY 184 Ca -0.19 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 3ibs n GLY 184 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ibs s ILE 185 N 1.95 2.70 -0.12 -0.61 -4.36 -1.26 -4.61 121.20 114.89 3ibs s ILE 185 Ca 0.00 -1.96 -0.02 0.00 -0.26 0.00 0.00 60.65 58.42 3ibs s ILE 185 Cb 0.00 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 3ibs s ILE 185 CO 0.00 -0.17 -0.06 -0.47 0.24 0.00 0.00 174.94 174.49 3ibs s TYR 186 N -1.83 2.98 -0.02 1.37 5.04 -1.26 -1.22 117.35 122.41 3ibs s TYR 186 Ca 0.24 -0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 54.67 3ibs s TYR 186 Cb -0.08 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.39 3ibs s TYR 186 CO 0.13 0.11 0.06 0.54 -1.34 0.00 0.00 175.55 175.05 3ibs s VAL 187 N -0.15 0.00 0.05 3.14 0.11 -0.72 -5.00 120.40 117.84 3ibs s VAL 187 Ca 0.02 -0.04 -0.25 0.00 -2.93 0.00 0.00 61.98 58.78 3ibs s VAL 187 Cb -0.13 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 3ibs s VAL 187 CO 0.03 -0.02 0.78 -0.60 -3.33 0.00 0.00 175.10 171.96 3ibs s ARG 188 N -0.04 4.51 -0.14 1.54 3.52 -1.26 -0.50 118.95 126.58 3ibs s ARG 188 Ca -0.01 1.10 -0.21 0.00 -0.13 0.00 0.00 55.73 56.48 3ibs s ARG 188 Cb -0.01 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 3ibs s ARG 188 CO 0.00 0.27 0.63 0.08 -0.81 0.00 0.00 175.30 175.47 3ibs s VAL 189 N -0.03 5.05 0.00 7.11 1.01 0.16 -4.56 120.40 129.15 3ibs s VAL 189 Ca 0.39 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3ibs s VAL 189 Cb -0.21 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3ibs s VAL 189 CO 0.23 0.19 0.00 -0.90 0.00 0.00 0.00 175.10 174.62 3ibs n ASP 190 N 4.43 1.37 0.14 3.32 5.68 -1.26 -4.23 116.55 126.00 3ibs n ASP 190 Ca -0.02 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.40 3ibs n ASP 190 Cb 0.50 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.90 3ibs n ASP 190 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3ibs h ASN 191 N 0.00 0.00 -3.91 -1.12 2.35 -1.95 -3.45 115.58 107.50 3ibs h ASN 191 Ca 0.00 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.32 3ibs h ASN 191 Cb 0.00 0.00 0.17 0.00 0.05 0.00 0.00 38.32 38.54 3ibs h ASN 191 CO 0.00 0.00 0.40 -1.54 -1.65 0.00 0.00 177.43 174.64 3ibs n SER 192 N -2.42 0.17 -0.69 5.81 3.41 -1.26 -4.97 113.62 113.67 3ibs n SER 192 Ca 0.04 -1.51 0.06 0.00 -0.26 0.00 0.00 58.87 57.20 3ibs n SER 192 Cb 0.39 -0.98 0.17 0.00 -0.26 0.00 0.00 64.21 63.53 3ibs n SER 192 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3ibs n ASN 193 N -3.79 2.01 -0.18 4.04 0.23 -1.26 -4.54 115.26 111.77 3ibs n ASN 193 Ca 0.16 -2.00 -0.05 0.00 -0.53 0.00 0.00 54.58 52.16 3ibs n ASN 193 Cb 0.57 -0.25 0.04 0.00 -2.08 0.00 0.00 39.78 38.06 3ibs n ASN 193 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3ibs h SER 194 N 2.20 0.49 -0.43 0.53 4.64 -1.93 -2.05 113.55 117.00 3ibs h SER 194 Ca 0.00 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 3ibs h SER 194 Cb 0.50 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3ibs h SER 194 CO 0.00 0.34 0.11 0.00 -0.87 0.00 0.00 176.83 176.41 3ibs h ALA 195 N 1.24 0.56 -0.70 5.18 0.00 -1.80 -1.33 119.26 122.42 3ibs h ALA 195 Ca 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ibs h ALA 195 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ibs h ALA 195 CO -0.11 0.24 0.44 0.37 0.00 0.00 0.00 179.25 180.19 3ibs h GLN 196 N 0.56 0.95 -0.18 0.00 -0.00 -1.82 -1.24 115.11 113.37 3ibs h GLN 196 Ca 0.13 -0.08 -0.19 0.00 -0.00 0.00 0.00 58.65 58.52 3ibs h GLN 196 Cb 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 27.59 3ibs h GLN 196 CO 0.00 0.66 -0.64 0.87 0.00 0.00 0.00 178.83 179.72 3ibs h LYS 197 N 0.96 0.66 -0.29 1.69 1.57 -1.26 -0.71 116.57 119.18 3ibs h LYS 197 Ca 0.25 -0.47 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3ibs h LYS 197 Cb -0.05 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3ibs h LYS 197 CO -0.05 1.09 0.18 0.00 -0.57 0.00 0.00 179.45 180.10 3ibs h ALA 198 N 0.80 0.37 -0.30 3.86 0.00 -0.97 -0.99 119.26 122.03 3ibs h ALA 198 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3ibs h ALA 198 Cb 1.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ibs h ALA 198 CO 0.13 -0.18 -0.45 0.97 0.00 0.00 0.00 179.25 179.71 3ibs h ILE 199 N 0.38 1.28 -0.20 0.00 6.09 -1.14 -1.53 117.51 122.39 3ibs h ILE 199 Ca 0.11 -1.64 -0.02 0.00 -1.37 0.00 0.00 64.86 61.94 3ibs h ILE 199 Cb -0.02 1.60 -0.01 0.00 0.47 0.00 0.00 36.82 38.86 3ibs h ILE 199 CO -0.04 0.53 0.01 0.28 -3.07 0.00 0.00 178.15 175.87 3ibs h SER 200 N 0.61 0.26 -0.35 2.19 0.02 -1.07 -0.21 113.55 114.99 3ibs h SER 200 Ca 0.03 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3ibs h SER 200 Cb 1.06 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 3ibs h SER 200 CO 0.10 0.30 0.02 -0.61 -1.14 0.00 0.00 176.83 175.51 3ibs h GLN 201 N 0.28 0.61 -0.47 3.45 5.75 -0.87 -0.77 115.11 123.09 3ibs h GLN 201 Ca 0.07 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 3ibs h GLN 201 Cb 0.17 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 3ibs h GLN 201 CO 0.00 0.71 0.26 1.49 -2.65 0.00 0.00 178.83 178.64 3ibs h GLU 202 N 0.43 0.66 -0.25 1.69 4.57 -0.45 0.06 114.58 121.29 3ibs h GLU 202 Ca 0.10 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3ibs h GLU 202 Cb 0.42 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3ibs h GLU 202 CO 0.01 0.52 0.16 0.82 -1.18 0.00 0.00 179.01 179.35 3ibs h ILE 203 N 0.62 1.06 -1.01 2.32 2.04 -0.99 -2.89 117.51 118.66 3ibs h ILE 203 Ca 0.17 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.95 3ibs h ILE 203 Cb 0.06 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 3ibs h ILE 203 CO -0.03 0.06 0.66 0.28 0.00 0.00 0.00 178.15 179.12 3ibs h SER 204 N 0.33 1.10 0.00 1.72 0.02 -0.86 -1.51 113.55 114.35 3ibs h SER 204 Ca 0.09 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3ibs h SER 204 Cb -0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.26 3ibs h SER 204 CO -0.02 0.75 0.00 1.17 -1.14 0.00 0.00 176.83 177.58 3ibs n LYS 205 N -4.44 0.23 0.00 3.45 4.81 -0.02 -2.15 118.16 120.04 3ibs n LYS 205 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3ibs n LYS 205 Cb 0.10 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 33.92 3ibs n LYS 205 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ibs n ALA 207 N 0.60 0.00 0.42 3.14 0.00 -0.57 -2.30 120.51 121.81 3ibs n ALA 207 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3ibs n ALA 207 Cb 0.08 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.64 3ibs n ALA 207 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ibs h LYS 208 N 0.00 0.00 -0.03 0.00 1.57 -1.71 -3.46 116.57 112.94 3ibs h LYS 208 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ibs h LYS 208 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3ibs h LYS 208 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75