#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibs s VAL 6 N 0.00 2.01 -0.10 1.61 -7.23 -1.26 -4.32 120.40 111.11 3ibs s VAL 6 Ca 0.00 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 3ibs s VAL 6 Cb 0.00 -2.85 0.01 0.00 0.56 0.00 0.00 36.38 34.10 3ibs s VAL 6 CO 0.00 0.00 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.99 3ibs s GLU 7 N -3.85 2.55 -0.12 4.82 2.02 -0.32 -1.44 118.70 122.36 3ibs s GLU 7 Ca 0.34 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.65 3ibs s GLU 7 Cb 0.05 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.26 3ibs s GLU 7 CO 0.18 0.04 -0.17 0.08 0.02 0.00 0.00 175.26 175.42 3ibs s VAL 8 N 0.68 1.64 -0.22 2.63 1.01 -0.30 -1.43 120.40 124.41 3ibs s VAL 8 Ca -0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3ibs s VAL 8 Cb -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.73 3ibs s VAL 8 CO 0.03 0.47 -0.07 -0.63 0.00 0.00 0.00 175.10 174.90 3ibs s ILE 9 N 1.03 3.11 0.00 2.22 1.01 0.35 -1.14 121.20 127.78 3ibs s ILE 9 Ca -0.05 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 3ibs s ILE 9 Cb -0.15 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 3ibs s ILE 9 CO -0.03 0.40 0.75 -0.63 0.00 0.00 0.00 174.94 175.43 3ibs s ILE 10 N 1.43 4.86 -0.36 2.92 -1.09 -0.12 -1.05 121.20 127.79 3ibs s ILE 10 Ca 0.05 1.58 -0.00 0.00 -2.23 0.00 0.00 60.65 60.04 3ibs s ILE 10 Cb -0.14 -4.09 0.09 0.00 -1.58 0.00 0.00 42.46 36.73 3ibs s ILE 10 CO -0.05 0.32 0.10 0.00 -1.23 0.00 0.00 174.94 174.07 3ibs s ALA 11 N 0.30 2.97 -0.23 9.38 0.00 0.73 0.27 121.76 135.18 3ibs s ALA 11 Ca 0.39 -2.32 -0.08 0.00 0.00 0.00 0.00 51.96 49.95 3ibs s ALA 11 Cb -0.19 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 3ibs s ALA 11 CO 0.21 -1.62 0.08 -1.17 0.00 0.00 0.00 175.76 173.26 3ibs s LEU 12 N 1.09 3.62 -0.07 0.00 2.96 0.33 -1.10 118.68 125.51 3ibs s LEU 12 Ca 0.05 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.58 3ibs s LEU 12 Cb -0.21 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 3ibs s LEU 12 CO -0.05 0.04 1.53 -0.62 -1.32 0.00 0.00 176.35 175.94 3ibs s ASP 13 N 1.16 6.75 -0.17 3.68 -1.08 -0.37 -1.53 116.67 125.11 3ibs s ASP 13 Ca 0.05 2.10 0.15 0.00 -0.52 0.00 0.00 52.55 54.33 3ibs s ASP 13 Cb -0.14 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.15 3ibs s ASP 13 CO 0.04 -0.86 1.22 2.30 0.52 0.00 0.00 175.17 178.39 3ibs n ILE 14 N 5.32 2.09 -0.88 4.11 -5.35 -0.15 -4.90 119.36 119.60 3ibs n ILE 14 Ca 0.16 -2.61 -0.30 0.00 -0.27 0.00 0.00 62.75 59.74 3ibs n ILE 14 Cb 0.43 -0.25 0.18 0.00 -1.74 0.00 0.00 39.64 38.26 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 -2.89 2.64 0.47 7.28 1.04 -1.24 -4.14 113.70 116.86 3ibs s SER 15 Ca 0.36 1.70 0.17 0.00 0.48 0.00 0.00 55.95 58.67 3ibs s SER 15 Cb 0.33 -2.33 1.17 0.00 0.10 0.00 0.00 66.02 65.28 3ibs s SER 15 CO -0.00 -3.19 2.01 0.78 0.98 0.00 0.00 173.24 173.82 3ibs h ASN 16 N -1.93 0.21 0.00 7.02 2.35 -1.94 -3.38 115.58 117.91 3ibs h ASN 16 Ca -0.51 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.24 3ibs h ASN 16 Cb 1.29 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 3ibs h ASN 16 CO 0.50 0.13 0.54 -1.54 -1.65 0.00 0.00 177.43 175.40 3ibs n SER 17 N -4.45 0.06 0.00 5.81 3.41 -1.26 -4.30 113.62 112.89 3ibs n SER 17 Ca 0.07 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 3ibs n SER 17 Cb 0.38 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 3.17 0.00 -4.68 1.04 4.77 -1.26 -4.90 117.00 115.13 3ibs n LEU 19 Ca 0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.61 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 0.27 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 177.10 3ibs n ALA 20 N 0.53 0.85 -1.64 -1.18 0.00 -1.26 -4.44 120.51 113.36 3ibs n ALA 20 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 3ibs n ALA 20 Cb 0.00 -2.24 0.12 0.00 0.00 0.00 0.00 19.45 17.33 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 -1.23 2.55 0.00 0.00 6.02 -1.26 -1.53 117.38 121.93 3ibs n GLN 21 Ca 0.13 -3.55 0.15 0.00 -0.01 0.00 0.00 57.00 53.72 3ibs n GLN 21 Cb 0.46 -2.03 0.71 0.00 1.02 0.00 0.00 30.24 30.40 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 -0.95 0.33 -4.13 1.08 5.75 -1.26 -4.62 116.55 112.74 3ibs n ASP 22 Ca 0.41 -0.62 -0.20 0.00 -0.01 0.00 0.00 54.79 54.37 3ibs n ASP 22 Cb 0.94 -0.10 -0.13 0.00 -1.03 0.00 0.00 41.12 40.79 3ibs n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ibs s VAL 23 N -2.36 1.07 0.04 2.12 1.01 -1.26 -4.91 120.40 116.11 3ibs s VAL 23 Ca 0.34 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3ibs s VAL 23 Cb 0.21 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 3ibs s VAL 23 CO 0.44 0.00 0.41 -1.10 0.00 0.00 0.00 175.10 174.85 3ibs s GLN 24 N -1.11 3.83 0.34 2.72 -1.52 -1.26 -2.57 119.66 120.09 3ibs s GLN 24 Ca 0.01 0.29 0.18 0.00 -1.95 0.00 0.00 55.36 53.89 3ibs s GLN 24 Cb -0.08 -3.10 0.30 0.00 -0.22 0.00 0.00 33.01 29.92 3ibs s GLN 24 CO 0.01 0.62 1.56 -1.00 -0.25 0.00 0.00 175.29 176.23 3ibs h PRO 25 N 4.17 0.00 -3.61 2.91 0.13 -1.95 -3.38 132.00 130.26 3ibs h PRO 25 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 3ibs h PRO 25 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 3ibs h PRO 25 CO 0.64 0.37 -0.10 -1.54 -0.23 0.00 0.00 178.00 177.14 3ibs s SER 26 N -6.37 -0.10 0.13 1.44 1.04 -1.06 -4.64 113.70 104.14 3ibs s SER 26 Ca 0.04 -0.91 -0.20 0.00 0.48 0.00 0.00 55.95 55.36 3ibs s SER 26 Cb 0.08 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 3ibs s SER 26 CO 0.71 -1.15 1.69 0.03 0.98 0.00 0.00 173.24 175.50 3ibs h ARG 27 N 2.24 -0.04 -0.33 4.02 3.08 -1.36 0.16 114.38 122.15 3ibs h ARG 27 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 3ibs h ARG 27 Cb 1.25 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 3ibs h ARG 27 CO 0.35 -0.03 0.18 1.25 -1.07 0.00 0.00 179.97 180.65 3ibs h LEU 28 N -0.04 0.41 -0.81 3.04 5.85 -1.92 -1.20 115.31 120.62 3ibs h LEU 28 Ca 0.10 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 3ibs h LEU 28 Cb 0.20 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3ibs h LEU 28 CO -0.23 0.38 -0.48 -0.33 -0.34 0.00 0.00 178.44 177.45 3ibs h GLU 29 N 0.41 0.28 -0.55 1.25 4.39 -1.89 -1.02 114.58 117.44 3ibs h GLU 29 Ca 0.11 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3ibs h GLU 29 Cb 0.06 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3ibs h GLU 29 CO -0.02 0.70 0.23 -0.22 -1.16 0.00 0.00 179.01 178.54 3ibs h LYS 30 N 0.22 0.82 -0.79 2.33 1.63 -0.85 -1.84 116.57 118.08 3ibs h LYS 30 Ca 0.01 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 3ibs h LYS 30 Cb 0.93 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.38 3ibs h LYS 30 CO 0.08 0.70 0.37 0.00 -3.45 0.00 0.00 179.45 177.15 3ibs h ALA 31 N 1.07 1.17 -0.36 5.00 0.00 -0.73 -0.92 119.26 124.49 3ibs h ALA 31 Ca 0.18 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3ibs h ALA 31 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ibs h ALA 31 CO -0.02 0.63 -0.32 0.87 0.00 0.00 0.00 179.25 180.41 3ibs h LYS 32 N 1.12 0.78 -0.10 0.00 1.57 -1.05 -1.49 116.57 117.41 3ibs h LYS 32 Ca 0.27 -0.37 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3ibs h LYS 32 Cb 0.12 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3ibs h LYS 32 CO -0.03 0.99 0.04 -0.09 -0.57 0.00 0.00 179.45 179.79 3ibs h ARG 33 N 0.66 0.09 -0.74 3.15 2.43 -0.94 -1.69 114.38 117.34 3ibs h ARG 33 Ca 0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3ibs h ARG 33 Cb 0.85 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 3ibs h ARG 33 CO 0.07 0.06 0.44 1.25 -1.51 0.00 0.00 179.97 180.28 3ibs h LEU 34 N 0.09 0.90 -0.36 3.80 6.46 -1.05 -1.43 115.31 123.71 3ibs h LEU 34 Ca 0.04 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 3ibs h LEU 34 Cb 0.01 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 3ibs h LEU 34 CO -0.03 0.71 0.18 0.40 -0.62 0.00 0.00 178.44 179.07 3ibs h ILE 35 N 1.02 1.16 -0.27 4.05 2.04 -1.16 0.22 117.51 124.56 3ibs h ILE 35 Ca 0.27 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3ibs h ILE 35 Cb -0.02 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3ibs h ILE 35 CO -0.05 0.17 0.06 -1.28 0.00 0.00 0.00 178.15 177.05 3ibs h SER 36 N 0.45 0.03 -0.33 1.72 0.87 -1.02 0.25 113.55 115.53 3ibs h SER 36 Ca 0.13 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 3ibs h SER 36 Cb 0.11 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3ibs h SER 36 CO -0.02 0.05 -0.11 0.03 -0.53 0.00 0.00 176.83 176.26 3ibs h ARG 37 N 0.17 0.75 -0.23 2.24 3.08 -1.15 -1.67 114.38 117.57 3ibs h ARG 37 Ca 0.12 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3ibs h ARG 37 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3ibs h ARG 37 CO -0.16 0.84 0.13 1.25 -1.07 0.00 0.00 179.97 180.96 3ibs h LEU 38 N 0.68 0.21 -0.97 3.04 6.46 0.13 -2.52 115.31 122.34 3ibs h LEU 38 Ca 0.12 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 3ibs h LEU 38 Cb 0.58 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.41 3ibs h LEU 38 CO 0.04 0.15 0.63 0.58 -0.62 0.00 0.00 178.44 179.22 3ibs h VAL 39 N 0.27 1.12 -0.07 1.05 2.07 -0.19 -2.01 116.25 118.49 3ibs h VAL 39 Ca 0.09 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3ibs h VAL 39 Cb 0.00 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.61 3ibs h VAL 39 CO -0.05 0.21 0.05 0.44 0.02 0.00 0.00 177.57 178.25 3ibs h ASP 40 N 1.17 0.00 0.58 0.57 3.32 -0.88 -2.12 116.42 119.06 3ibs h ASP 40 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3ibs h ASP 40 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3ibs h ASP 40 CO -0.15 0.00 -0.34 -0.62 -1.72 0.00 0.00 179.24 176.41 3ibs n GLU 41 N -4.30 0.12 -2.28 3.56 -0.58 -0.76 -4.91 120.64 111.49 3ibs n GLU 41 Ca -0.01 -0.06 -0.36 0.00 -0.42 0.00 0.00 57.16 56.30 3ibs n GLU 41 Cb 0.16 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 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 -2.92 3.95 0.00 -4.62 1.43 -0.80 -5.04 118.68 110.68 3ibs s LEU 42 Ca 0.14 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 3ibs s LEU 42 Cb 0.18 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 42.07 3ibs s LEU 42 CO 0.63 -0.96 0.00 0.47 0.23 0.00 0.00 176.35 176.72 3ibs n ASP 43 N -0.68 0.00 -2.61 2.29 8.00 -1.26 -4.88 116.55 117.41 3ibs n ASP 43 Ca 0.08 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.26 3ibs n ASP 43 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 3ibs n ASP 43 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3ibs n ASN 44 N 0.00 6.96 -4.93 -2.24 2.85 -1.26 -4.96 115.26 111.69 3ibs n ASN 44 Ca 0.00 -3.48 -0.26 0.00 -0.11 0.00 0.00 54.58 50.73 3ibs n ASN 44 Cb 0.00 -1.14 0.01 0.00 1.24 0.00 0.00 39.78 39.88 3ibs n ASN 44 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3ibs s ASP 45 N -0.35 4.64 0.06 1.20 1.01 -1.26 -4.58 116.67 117.39 3ibs s ASP 45 Ca 0.55 -1.26 0.07 0.00 0.71 0.00 0.00 52.55 52.61 3ibs s ASP 45 Cb 0.40 0.54 -0.03 0.00 1.01 0.00 0.00 42.92 44.85 3ibs s ASP 45 CO -0.27 -1.20 -0.19 -0.54 0.21 0.00 0.00 175.17 173.18 3ibs s LYS 46 N -4.35 1.19 0.00 8.23 1.02 -0.52 -4.45 119.74 120.87 3ibs s LYS 46 Ca 0.35 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.40 3ibs s LYS 46 Cb -0.03 -1.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.95 3ibs s LYS 46 CO 0.22 0.33 -0.08 0.54 -0.92 0.00 0.00 175.35 175.44 3ibs s VAL 47 N -0.93 0.63 0.00 3.17 0.11 0.43 -1.16 120.40 122.66 3ibs s VAL 47 Ca 0.05 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3ibs s VAL 47 Cb -0.09 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 3ibs s VAL 47 CO 0.02 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 3ibs n GLY 48 N 2.69 5.81 3.63 6.54 0.00 -0.29 -1.04 105.19 122.52 3ibs n GLY 48 Ca -0.14 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 0.67 0.00 0.09 -0.61 1.01 0.14 -0.94 121.20 121.56 3ibs s ILE 50 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.72 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 -0.12 0.68 0.00 0.00 0.00 174.94 175.50 3ibs s VAL 51 N 0.11 3.24 -0.03 2.92 -7.23 -0.27 -0.52 120.40 118.62 3ibs s VAL 51 Ca 0.01 -1.27 -0.13 0.00 -1.81 0.00 0.00 61.98 58.79 3ibs s VAL 51 Cb -0.04 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.43 3ibs s VAL 51 CO -0.03 0.15 0.27 0.72 -0.31 0.00 0.00 175.10 175.91 3ibs s PHE 52 N -1.16 -0.16 0.00 2.82 -0.12 -0.58 -1.19 117.98 117.59 3ibs s PHE 52 Ca 0.20 0.28 0.00 0.00 -0.05 0.00 0.00 56.93 57.36 3ibs s PHE 52 Cb -0.11 0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.35 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 1.60 0.00 0.14 1.99 0.00 -1.26 -0.98 120.51 122.00 3ibs n ALA 53 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.24 3ibs n ALA 53 Cb 0.56 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.74 0.00 0.00 -0.92 0.17 103.07 100.58 3ibs h GLY 54 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3ibs h GLY 54 CO 0.00 0.00 -0.61 0.99 0.00 0.00 0.00 176.54 176.92 3ibs s ASP 55 N -6.62 3.70 0.04 0.19 1.01 -1.26 -4.67 116.67 109.07 3ibs s ASP 55 Ca 0.00 -1.35 0.08 0.00 0.71 0.00 0.00 52.55 52.00 3ibs s ASP 55 Cb 0.11 -0.36 -0.03 0.00 1.01 0.00 0.00 42.92 43.65 3ibs s ASP 55 CO 0.75 -0.43 -0.23 0.00 0.21 0.00 0.00 175.17 175.47 3ibs s ALA 56 N -2.76 1.92 0.05 5.23 0.00 -1.26 -4.28 121.76 120.66 3ibs s ALA 56 Ca 0.35 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 3ibs s ALA 56 Cb 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 3ibs s ALA 56 CO 0.17 0.44 0.18 -0.59 0.00 0.00 0.00 175.76 175.96 3ibs s PHE 57 N -0.79 0.11 -0.32 0.00 -0.71 -0.33 -5.00 117.98 110.94 3ibs s PHE 57 Ca 0.09 -0.41 -0.29 0.00 -1.04 0.00 0.00 56.93 55.28 3ibs s PHE 57 Cb -0.09 -0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.66 3ibs s PHE 57 CO 0.02 -0.45 1.37 0.99 -1.34 0.00 0.00 175.22 175.80 3ibs s THR 58 N -2.99 4.03 -0.10 -4.49 2.01 -1.26 -1.11 115.64 111.73 3ibs s THR 58 Ca -0.02 1.13 -0.10 0.00 0.31 0.00 0.00 61.69 63.01 3ibs s THR 58 Cb 0.01 -4.12 -0.28 0.00 0.01 0.00 0.00 72.50 68.12 3ibs s THR 58 CO -0.06 -0.53 0.49 -0.61 -0.69 0.00 0.00 174.62 173.21 3ibs h GLN 59 N 9.84 0.30 -3.72 4.92 5.75 -1.92 -3.45 115.11 126.83 3ibs h GLN 59 Ca -0.27 -0.51 -0.52 0.00 -0.15 0.00 0.00 58.65 57.20 3ibs h GLN 59 Cb 1.11 0.19 -0.39 0.00 1.07 0.00 0.00 27.48 29.45 3ibs h GLN 59 CO 1.04 1.25 -0.77 -1.17 -2.65 0.00 0.00 178.83 176.53 3ibs s LEU 60 N -7.24 1.27 0.60 -2.39 2.96 -1.26 -5.03 118.68 107.59 3ibs s LEU 60 Ca -0.20 -0.72 -0.18 0.00 -0.22 0.00 0.00 54.13 52.80 3ibs s LEU 60 Cb 0.06 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 3ibs s LEU 60 CO 0.79 -0.27 1.20 -2.84 -1.32 0.00 0.00 176.35 173.92 3ibs s PRO 61 N 1.80 2.94 0.05 0.98 0.02 -1.26 -4.45 135.00 135.08 3ibs s PRO 61 Ca -0.00 1.80 -0.34 0.00 0.02 0.00 0.00 61.00 62.49 3ibs s PRO 61 Cb -0.16 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 3ibs s PRO 61 CO -0.07 -1.23 1.75 1.51 -0.33 0.00 0.00 177.00 178.63 3ibs n ILE 62 N -1.66 0.32 -3.72 2.83 0.13 -1.26 -4.67 119.36 111.32 3ibs n ILE 62 Ca 0.13 -0.06 -0.12 0.00 -1.10 0.00 0.00 62.75 61.61 3ibs n ILE 62 Cb 0.50 -1.78 -0.07 0.00 -0.84 0.00 0.00 39.64 37.44 3ibs n ILE 62 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 3ibs s THR 63 N 2.60 0.07 -2.77 9.51 -1.32 -0.21 -4.90 115.64 118.62 3ibs s THR 63 Ca 0.85 -0.60 0.25 0.00 -1.21 0.00 0.00 61.69 60.99 3ibs s THR 63 Cb -0.65 -0.94 0.34 0.00 -1.51 0.00 0.00 72.50 69.74 3ibs s THR 63 CO 0.44 -0.33 1.46 -1.54 -2.21 0.00 0.00 174.62 172.43 3ibs n SER 64 N 0.56 2.41 -4.50 8.08 3.41 -1.26 -0.42 113.62 121.89 3ibs n SER 64 Ca -0.19 -1.80 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 3ibs n SER 64 Cb 0.60 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 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 -1.97 6.49 0.27 4.04 -1.08 -1.26 -4.84 116.67 118.31 3ibs s ASP 65 Ca 0.32 -1.56 0.11 0.00 -0.52 0.00 0.00 52.55 50.91 3ibs s ASP 65 Cb 0.20 -2.49 0.32 0.00 -1.46 0.00 0.00 42.92 39.50 3ibs s ASP 65 CO 0.31 -1.35 1.58 1.88 0.52 0.00 0.00 175.17 178.11 3ibs h TYR 66 N 9.41 0.00 -0.18 -5.34 0.05 -1.97 -1.44 116.97 117.50 3ibs h TYR 66 Ca 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 3ibs h TYR 66 Cb 1.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 3ibs h TYR 66 CO 1.19 0.63 0.09 0.82 -1.05 0.00 0.00 178.16 179.84 3ibs h ILE 67 N 0.00 1.12 -0.53 -2.88 2.04 -2.00 -1.84 117.51 113.42 3ibs h ILE 67 Ca -0.01 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.38 3ibs h ILE 67 Cb 1.16 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3ibs h ILE 67 CO 0.08 0.12 -0.15 0.28 0.00 0.00 0.00 178.15 178.48 3ibs h SER 68 N 0.17 1.04 -0.75 1.72 0.02 -1.95 -3.05 113.55 110.75 3ibs h SER 68 Ca 0.06 -0.37 0.14 0.00 -0.84 0.00 0.00 61.79 60.79 3ibs h SER 68 Cb 0.11 -0.29 -0.10 0.00 0.14 0.00 0.00 62.40 62.27 3ibs h SER 68 CO -0.01 1.17 0.30 0.00 -1.14 0.00 0.00 176.83 177.15 3ibs h ALA 69 N 0.91 1.06 0.00 3.77 0.00 -1.10 -0.38 119.26 123.52 3ibs h ALA 69 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ibs h ALA 69 Cb 0.73 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ibs h ALA 69 CO 0.06 -0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.72 3ibs n LYS 70 N -5.01 0.44 0.00 0.00 5.02 -0.71 -1.26 118.16 116.65 3ibs n LYS 70 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3ibs n LYS 70 Cb 0.42 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.76 0.00 0.02 2.13 3.72 -0.15 -1.30 117.46 122.64 3ibs n PHE 72 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 3ibs n PHE 72 Cb 0.22 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.69 3ibs n PHE 72 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3ibs h LEU 73 N 0.00 0.04 -1.33 4.37 5.85 -1.42 -3.13 115.31 119.68 3ibs h LEU 73 Ca 0.00 -0.09 0.17 0.00 0.84 0.00 0.00 57.88 58.80 3ibs h LEU 73 Cb 0.00 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 3ibs h LEU 73 CO 0.00 0.12 0.59 -0.08 -0.34 0.00 0.00 178.44 178.73 3ibs h GLU 74 N -0.05 0.57 -0.06 1.25 4.22 -1.47 -2.22 114.58 116.83 3ibs h GLU 74 Ca 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3ibs h GLU 74 Cb 0.09 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ibs h GLU 74 CO -0.00 0.38 0.00 -1.13 -2.18 0.00 0.00 179.01 176.08 3ibs n SER 75 N -4.57 0.70 -4.72 1.04 3.41 -1.18 -4.91 113.62 103.39 3ibs n SER 75 Ca 0.19 -1.49 -0.42 0.00 -0.26 0.00 0.00 58.87 56.89 3ibs n SER 75 Cb 0.58 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.93 4.13 0.17 -1.33 1.01 -0.84 -5.02 121.20 117.40 3ibs s ILE 76 Ca 0.32 1.62 -0.12 0.00 0.00 0.00 0.00 60.65 62.48 3ibs s ILE 76 Cb 0.16 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3ibs s ILE 76 CO 0.25 0.18 0.36 -0.94 0.00 0.00 0.00 174.94 174.80 3ibs s SER 77 N 0.65 -0.06 0.60 3.58 1.04 -1.26 -5.04 113.70 113.22 3ibs s SER 77 Ca 0.54 -0.74 0.32 0.00 0.48 0.00 0.00 55.95 56.55 3ibs s SER 77 Cb -0.28 0.48 1.87 0.00 0.10 0.00 0.00 66.02 68.19 3ibs s SER 77 CO 0.31 -0.95 2.23 -0.65 0.98 0.00 0.00 173.24 175.16 3ibs h PRO 78 N 2.43 0.00 0.00 4.02 0.11 -1.92 -2.08 132.00 134.55 3ibs h PRO 78 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ibs h PRO 78 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ibs h PRO 78 CO 0.45 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 3ibs n SER 79 N -3.69 0.56 0.26 -2.05 3.41 -1.26 -1.80 113.62 109.04 3ibs n SER 79 Ca -0.02 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 3ibs n SER 79 Cb 0.15 -0.79 0.70 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.00 -7.71 1.04 3.38 -1.76 -3.41 115.31 106.85 3ibs h LEU 80 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3ibs h LEU 80 Cb 0.17 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.56 3ibs h LEU 80 CO 0.00 0.04 -0.80 -0.63 0.09 0.00 0.00 178.44 177.14 3ibs s ILE 81 N -4.80 0.98 -0.01 1.22 1.01 -0.75 -5.03 121.20 113.81 3ibs s ILE 81 Ca -0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 3ibs s ILE 81 Cb 0.16 -1.00 -0.31 0.00 0.01 0.00 0.00 42.46 41.32 3ibs s ILE 81 CO 0.64 0.36 0.80 0.77 0.00 0.00 0.00 174.94 177.51 3ibs h SER 82 N 8.08 0.62 -2.92 3.58 4.64 -1.80 -3.46 113.55 122.29 3ibs h SER 82 Ca -0.29 -0.83 -0.53 0.00 -0.47 0.00 0.00 61.79 59.67 3ibs h SER 82 Cb 1.13 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 63.04 3ibs h SER 82 CO 0.40 1.68 0.80 -0.75 -0.87 0.00 0.00 176.83 178.10 3ibs s LYS 83 N -2.59 4.29 0.30 4.77 2.20 -1.26 -4.97 119.74 122.47 3ibs s LYS 83 Ca -0.12 2.10 0.06 0.00 -0.36 0.00 0.00 55.97 57.65 3ibs s LYS 83 Cb 0.05 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 3ibs s LYS 83 CO 0.88 -0.53 0.42 -0.65 -0.36 0.00 0.00 175.35 175.11 3ibs s GLN 84 N 1.66 3.20 0.00 4.03 -1.52 -1.26 -0.66 119.66 125.11 3ibs s GLN 84 Ca 0.66 -0.95 0.00 0.00 -1.95 0.00 0.00 55.36 53.12 3ibs s GLN 84 Cb -0.36 -2.82 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 3ibs s GLN 84 CO 0.30 0.19 0.00 0.41 -0.25 0.00 0.00 175.29 175.94 3ibs n GLY 85 N -1.54 0.88 2.26 3.09 0.00 -1.26 -3.93 105.19 104.69 3ibs n GLY 85 Ca -0.03 -2.01 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 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 4.55 -0.18 -1.87 2.61 -1.04 -1.19 -3.47 114.28 113.69 3ibs n THR 86 Ca 0.00 -4.19 -0.41 0.00 -2.04 0.00 0.00 64.05 57.41 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 1.43 6.12 -0.18 2.41 0.00 0.57 -4.57 120.51 126.29 3ibs n ALA 87 Ca 0.23 -3.97 -0.10 0.00 0.00 0.00 0.00 53.44 49.60 3ibs n ALA 87 Cb 0.50 -3.22 0.01 0.00 0.00 0.00 0.00 19.45 16.75 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 3.49 1.26 -0.33 0.00 2.04 -1.96 -2.23 117.51 119.78 3ibs h ILE 88 Ca 0.60 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 65.43 3ibs h ILE 88 Cb 0.51 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3ibs h ILE 88 CO 1.73 0.38 0.07 1.23 0.00 0.00 0.00 178.15 181.56 3ibs h GLY 89 N 0.79 0.38 1.01 5.37 0.00 -1.84 0.12 103.07 108.91 3ibs h GLY 89 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.47 3ibs h GLY 89 CO 0.03 -0.02 0.61 0.83 0.00 0.00 0.00 176.54 177.98 3ibs h GLU 90 N 0.18 1.22 -0.26 4.80 5.08 -1.85 -0.84 114.58 122.92 3ibs h GLU 90 Ca 0.16 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3ibs h GLU 90 Cb 0.17 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3ibs h GLU 90 CO -0.21 0.81 0.05 0.00 -1.00 0.00 0.00 179.01 178.67 3ibs h ALA 91 N 1.34 0.35 -0.20 3.43 0.00 -0.88 0.29 119.26 123.59 3ibs h ALA 91 Ca 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ibs h ALA 91 Cb -0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ibs h ALA 91 CO -0.07 0.02 0.11 0.82 0.00 0.00 0.00 179.25 180.12 3ibs h ILE 92 N 0.25 1.10 -0.86 0.00 2.04 -0.59 -0.22 117.51 119.22 3ibs h ILE 92 Ca 0.08 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.75 3ibs h ILE 92 Cb 0.31 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3ibs h ILE 92 CO 0.00 0.10 0.52 0.78 0.00 0.00 0.00 178.15 179.55 3ibs h ASN 93 N 0.22 0.80 -0.40 1.72 2.35 -1.05 -1.23 115.58 117.99 3ibs h ASN 93 Ca 0.07 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3ibs h ASN 93 Cb 0.06 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3ibs h ASN 93 CO -0.01 0.49 0.16 0.25 -1.65 0.00 0.00 177.43 176.67 3ibs h LEU 94 N 0.93 0.55 -0.82 1.61 5.85 -0.52 -2.89 115.31 120.00 3ibs h LEU 94 Ca 0.39 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.99 3ibs h LEU 94 Cb 0.25 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3ibs h LEU 94 CO -0.20 0.56 0.51 0.00 -0.34 0.00 0.00 178.44 178.98 3ibs h ALA 95 N 1.01 1.11 -0.80 1.25 0.00 -0.45 -2.35 119.26 119.03 3ibs h ALA 95 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ibs h ALA 95 Cb 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3ibs h ALA 95 CO -0.01 0.29 0.36 1.79 0.00 0.00 0.00 179.25 181.68 3ibs h THR 96 N 0.97 1.25 0.00 0.00 1.35 -1.09 0.49 112.91 115.88 3ibs h THR 96 Ca 0.35 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3ibs h THR 96 Cb 0.10 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 66.77 3ibs h THR 96 CO -0.15 0.31 0.00 0.54 -0.25 0.00 0.00 175.52 175.97 3ibs n ARG 97 N -4.30 0.04 -0.02 4.72 1.74 -0.97 -3.73 116.66 114.15 3ibs n ARG 97 Ca 0.08 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.48 3ibs n ARG 97 Cb 0.15 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.46 2.99 -4.89 0.55 7.64 0.16 -4.95 113.62 113.66 3ibs n SER 98 Ca 0.05 -1.98 -0.29 0.00 1.01 0.00 0.00 58.87 57.65 3ibs n SER 98 Cb 0.18 -0.02 0.05 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.95 3.24 0.75 1.43 0.08 -1.22 -4.61 117.98 115.70 3ibs s PHE 99 Ca 0.29 0.93 -0.11 0.00 0.12 0.00 0.00 56.93 58.16 3ibs s PHE 99 Cb 0.20 -3.10 0.04 0.00 -0.57 0.00 0.00 43.02 39.59 3ibs s PHE 99 CO 0.30 -1.24 1.10 0.95 -0.10 0.00 0.00 175.22 176.23 3ibs s THR 100 N -3.35 3.25 -1.47 0.64 -4.23 -1.26 -4.96 115.64 104.27 3ibs s THR 100 Ca 0.58 0.41 0.20 0.00 -1.18 0.00 0.00 61.69 61.71 3ibs s THR 100 Cb -0.11 -3.29 0.37 0.00 1.34 0.00 0.00 72.50 70.82 3ibs s THR 100 CO 0.50 -0.53 1.64 -0.81 -0.54 0.00 0.00 174.62 174.88 3ibs n PRO 101 N -3.21 0.32 -2.01 3.99 -0.04 -1.26 -4.86 135.00 127.93 3ibs n PRO 101 Ca 0.07 0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 3ibs n PRO 101 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 3ibs n PRO 101 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3ibs s GLN 102 N -2.53 4.26 0.32 0.54 0.74 -1.26 -5.02 119.66 116.71 3ibs s GLN 102 Ca 0.20 2.31 -0.01 0.00 0.05 0.00 0.00 55.36 57.91 3ibs s GLN 102 Cb 0.14 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 3ibs s GLN 102 CO 0.31 -0.42 0.54 -1.21 -0.55 0.00 0.00 175.29 173.96 3ibs s GLU 103 N -0.40 3.53 0.00 1.67 0.41 -1.26 -4.53 118.70 118.12 3ibs s GLU 103 Ca 0.59 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 3ibs s GLU 103 Cb -0.42 -2.66 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 3ibs s GLU 103 CO 0.44 0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.79 3ibs n GLY 104 N -1.49 0.76 3.84 -1.39 0.00 -1.26 -5.06 105.19 100.59 3ibs n GLY 104 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.66 5.23 0.22 1.61 1.01 -1.26 -5.07 120.40 119.48 3ibs s VAL 105 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3ibs s VAL 105 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 3ibs s VAL 105 CO 0.00 0.55 1.15 -0.83 0.00 0.00 0.00 175.10 175.97 3ibs s GLY 106 N -1.20 2.85 -0.05 4.51 0.00 -1.26 -4.95 107.32 107.22 3ibs s GLY 106 Ca 0.17 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.81 3ibs s GLY 106 CO 0.07 1.70 -0.02 0.50 0.00 0.00 0.00 173.10 175.35 3ibs s ARG 107 N -0.69 0.64 -0.05 2.90 0.52 -1.26 -1.17 118.95 119.85 3ibs s ARG 107 Ca 0.49 -0.00 0.05 0.00 -0.52 0.00 0.00 55.73 55.75 3ibs s ARG 107 Cb -0.32 -0.79 -0.01 0.00 0.52 0.00 0.00 34.95 34.36 3ibs s ARG 107 CO 0.38 -0.15 -0.20 0.00 0.02 0.00 0.00 175.30 175.35 3ibs s ALA 108 N 1.22 1.75 -0.19 2.13 0.00 -0.52 -0.94 121.76 125.21 3ibs s ALA 108 Ca -0.07 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3ibs s ALA 108 Cb -0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3ibs s ALA 108 CO -0.02 0.33 0.01 0.42 0.00 0.00 0.00 175.76 176.51 3ibs s ILE 109 N -0.07 4.15 -0.32 0.00 1.01 -0.21 -0.49 121.20 125.26 3ibs s ILE 109 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 3ibs s ILE 109 Cb -0.12 -2.87 0.06 0.00 0.01 0.00 0.00 42.46 39.54 3ibs s ILE 109 CO 0.02 0.44 0.04 -0.63 0.00 0.00 0.00 174.94 174.82 3ibs s ILE 110 N 0.82 3.03 -0.10 2.92 1.01 -0.22 -0.73 121.20 127.93 3ibs s ILE 110 Ca 0.01 -1.56 -0.22 0.00 0.00 0.00 0.00 60.65 58.88 3ibs s ILE 110 Cb -0.14 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3ibs s ILE 110 CO 0.02 -0.25 0.63 -0.69 0.00 0.00 0.00 174.94 174.65 3ibs s VAL 111 N 1.22 5.08 -0.22 2.92 1.01 0.03 -0.20 120.40 130.24 3ibs s VAL 111 Ca -0.02 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.25 3ibs s VAL 111 Cb -0.20 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.27 3ibs s VAL 111 CO -0.02 0.25 -0.08 -0.63 0.00 0.00 0.00 175.10 174.63 3ibs s ILE 112 N 0.92 1.62 0.22 2.22 1.01 -0.26 0.15 121.20 127.08 3ibs s ILE 112 Ca 0.33 -1.18 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 3ibs s ILE 112 Cb -0.17 -1.81 0.04 0.00 0.01 0.00 0.00 42.46 40.54 3ibs s ILE 112 CO 0.15 0.00 0.64 0.28 0.00 0.00 0.00 174.94 176.01 3ibs s THR 113 N 1.37 0.00 -1.96 2.92 -1.32 -0.97 -1.24 115.64 114.44 3ibs s THR 113 Ca -0.05 -0.53 0.27 0.00 -1.21 0.00 0.00 61.69 60.17 3ibs s THR 113 Cb -0.18 -1.51 0.33 0.00 -1.51 0.00 0.00 72.50 69.63 3ibs s THR 113 CO -0.07 -0.01 1.59 -0.90 -2.21 0.00 0.00 174.62 173.02 3ibs n ASP 114 N -0.41 1.20 -1.12 8.08 5.68 -1.26 -0.85 116.55 127.88 3ibs n ASP 114 Ca -0.10 -1.07 -0.15 0.00 -0.50 0.00 0.00 54.79 52.97 3ibs n ASP 114 Cb 0.62 0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 40.65 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 1.30 1.49 3.80 6.12 0.00 -1.26 -0.64 105.19 116.00 3ibs n GLY 115 Ca 0.14 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.20 4.07 -1.43 1.61 2.12 -1.26 -4.24 118.70 116.36 3ibs s GLU 116 Ca 0.00 0.46 -0.06 0.00 0.36 0.00 0.00 54.97 55.73 3ibs s GLU 116 Cb 0.00 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 31.15 3ibs s GLU 116 CO 0.00 0.55 0.53 0.09 -0.54 0.00 0.00 175.26 175.89 3ibs n ASN 117 N 2.27 -5.04 -4.65 -1.70 3.02 -1.26 -4.68 115.26 103.22 3ibs n ASN 117 Ca -0.12 -0.31 -0.43 0.00 -0.03 0.00 0.00 54.58 53.70 3ibs n ASN 117 Cb 0.52 -4.11 -0.02 0.00 -0.61 0.00 0.00 39.78 35.56 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 -3.05 3.11 0.15 3.10 5.65 -1.26 -4.45 115.29 118.54 3ibs s HIS 118 Ca 0.33 1.24 -0.15 0.00 0.25 0.00 0.00 55.06 56.72 3ibs s HIS 118 Cb -0.16 -3.47 0.02 0.00 -1.18 0.00 0.00 32.58 27.79 3ibs s HIS 118 CO 0.41 -0.97 1.75 0.93 -0.65 0.00 0.00 174.74 176.20 3ibs h GLU 119 N 7.94 0.61 0.00 2.88 5.08 -1.93 -3.48 114.58 125.69 3ibs h GLU 119 Ca -0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3ibs h GLU 119 Cb 1.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3ibs h GLU 119 CO 0.99 0.49 0.00 0.41 -1.00 0.00 0.00 179.01 179.91 3ibs n GLY 120 N -0.98 3.99 0.00 -3.84 0.00 -1.26 -5.06 105.19 98.04 3ibs n GLY 120 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.20 1.36 0.23 -0.02 0.00 -1.26 -4.90 105.19 99.40 3ibs n GLY 121 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.68 -0.21 4.61 0.00 -1.90 -0.58 119.26 121.86 3ibs h ALA 122 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ibs h ALA 122 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ibs h ALA 122 CO 0.00 0.23 0.14 0.28 0.00 0.00 0.00 179.25 179.90 3ibs h VAL 123 N 0.70 1.06 -0.31 0.00 2.07 -1.92 0.15 116.25 118.00 3ibs h VAL 123 Ca 0.18 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3ibs h VAL 123 Cb 0.11 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3ibs h VAL 123 CO -0.02 0.06 0.06 -0.08 0.02 0.00 0.00 177.57 177.61 3ibs h GLU 124 N 0.28 0.50 -0.58 1.57 4.81 -1.97 -1.09 114.58 118.09 3ibs h GLU 124 Ca 0.08 -0.13 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3ibs h GLU 124 Cb -0.02 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.22 3ibs h GLU 124 CO -0.02 0.58 0.19 0.00 -0.73 0.00 0.00 179.01 179.04 3ibs h ALA 125 N 0.89 0.72 -0.66 2.92 0.00 -0.90 0.48 119.26 122.73 3ibs h ALA 125 Ca 0.09 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3ibs h ALA 125 Cb 0.32 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3ibs h ALA 125 CO 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 179.25 179.17 3ibs h ALA 126 N 1.41 1.01 -0.13 0.00 0.00 -0.47 -1.64 119.26 119.44 3ibs h ALA 126 Ca 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ibs h ALA 126 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ibs h ALA 126 CO -0.32 0.64 0.08 -0.22 0.00 0.00 0.00 179.25 179.43 3ibs h LYS 127 N 0.99 0.18 -0.53 0.00 3.11 -0.61 -1.06 116.57 118.65 3ibs h LYS 127 Ca 0.21 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.02 3ibs h LYS 127 Cb 0.37 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 3ibs h LYS 127 CO 0.00 0.15 0.29 0.00 -2.81 0.00 0.00 179.45 177.08 3ibs h ALA 128 N 1.02 1.51 -0.08 5.00 0.00 -0.70 -2.45 119.26 123.57 3ibs h ALA 128 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ibs h ALA 128 Cb 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ibs h ALA 128 CO -0.01 0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 3ibs h ALA 129 N 1.59 0.11 -1.00 0.00 0.00 -1.03 -3.19 119.26 115.74 3ibs h ALA 129 Ca 0.19 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 55.04 3ibs h ALA 129 Cb 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3ibs h ALA 129 CO -0.03 -0.15 0.62 0.00 0.00 0.00 0.00 179.25 179.68 3ibs h ALA 130 N 0.64 1.68 0.00 0.00 0.00 -0.89 0.21 119.26 120.90 3ibs h ALA 130 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ibs h ALA 130 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ibs h ALA 130 CO 0.01 -0.01 -0.15 1.05 0.00 0.00 0.00 179.25 180.14 3ibs h GLU 131 N 0.80 0.00 -0.70 0.00 4.11 -1.43 -2.74 114.58 114.61 3ibs h GLU 131 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 3ibs h GLU 131 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3ibs h GLU 131 CO -0.34 0.15 0.00 1.63 0.07 0.00 0.00 179.01 180.53 3ibs n LYS 132 N -3.55 3.28 -2.16 1.06 4.76 0.03 -4.88 118.16 116.70 3ibs n LYS 132 Ca -0.01 -1.95 -0.09 0.00 -2.87 0.00 0.00 58.31 53.39 3ibs n LYS 132 Cb 0.30 -1.90 -0.00 0.00 -1.84 0.00 0.00 35.03 31.58 3ibs n LYS 132 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ibs n GLY 133 N 0.52 0.01 3.41 0.72 0.00 -1.03 -5.04 105.19 103.78 3ibs n GLY 133 Ca 0.17 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.44 2.85 -0.24 -0.61 1.01 -1.03 -4.24 121.20 116.49 3ibs s ILE 134 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 3ibs s ILE 134 Cb 0.00 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3ibs s ILE 134 CO 0.00 0.57 0.10 -1.10 0.00 0.00 0.00 174.94 174.51 3ibs s GLN 135 N -0.38 3.81 -0.37 2.79 -0.21 -0.12 -3.22 119.66 121.96 3ibs s GLN 135 Ca 0.04 -0.40 -0.13 0.00 0.02 0.00 0.00 55.36 54.88 3ibs s GLN 135 Cb -0.12 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.49 3ibs s GLN 135 CO 0.02 -0.09 0.26 0.08 -2.12 0.00 0.00 175.29 173.44 3ibs s VAL 136 N 1.40 5.19 0.24 1.09 1.01 0.37 -1.04 120.40 128.65 3ibs s VAL 136 Ca 0.06 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.64 3ibs s VAL 136 Cb -0.15 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3ibs s VAL 136 CO 0.05 -0.15 0.19 -0.44 0.00 0.00 0.00 175.10 174.76 3ibs s SER 137 N 1.69 5.56 -0.05 3.32 0.01 0.09 -2.50 113.70 121.81 3ibs s SER 137 Ca 0.05 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.10 3ibs s SER 137 Cb -0.18 -1.43 0.02 0.00 0.21 0.00 0.00 66.02 64.64 3ibs s SER 137 CO 0.10 -0.02 -0.05 -0.69 0.41 0.00 0.00 173.24 172.99 3ibs s VAL 138 N -2.07 0.60 -0.32 3.43 1.01 -0.49 -0.79 120.40 121.77 3ibs s VAL 138 Ca 0.33 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 3ibs s VAL 138 Cb -0.08 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3ibs s VAL 138 CO 0.25 0.24 0.11 -0.76 0.00 0.00 0.00 175.10 174.94 3ibs s LEU 139 N 1.01 4.13 -0.24 3.92 1.43 0.12 -1.95 118.68 127.10 3ibs s LEU 139 Ca -0.10 -0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 51.92 3ibs s LEU 139 Cb -0.14 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 3ibs s LEU 139 CO -0.00 -0.26 0.65 -0.83 0.23 0.00 0.00 176.35 176.14 3ibs s GLY 140 N 1.48 1.85 -0.14 -3.19 0.00 -0.10 -2.29 107.32 104.93 3ibs s GLY 140 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 3ibs s GLY 140 CO 0.03 1.47 -0.11 0.14 0.00 0.00 0.00 173.10 174.63 3ibs s VAL 141 N 2.45 3.21 0.00 1.40 1.01 -0.03 1.00 120.40 129.44 3ibs s VAL 141 Ca 0.28 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3ibs s VAL 141 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3ibs s VAL 141 CO 0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3ibs n GLY 142 N 3.64 0.11 0.02 4.51 0.00 -1.26 -4.02 105.19 108.19 3ibs n GLY 142 Ca -0.18 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.21 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 0.89 0.26 1.61 -0.02 -1.26 -4.81 135.00 131.68 3ibs n PRO 144 Ca 0.00 -0.09 0.14 0.00 -2.02 0.00 0.00 63.50 61.53 3ibs n PRO 144 Cb 0.00 -1.33 0.71 0.00 -0.02 0.00 0.00 33.50 32.86 3ibs n PRO 144 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ibs h GLU 145 N 0.00 0.00 0.00 -0.52 3.07 -1.93 -3.42 114.58 111.78 3ibs h GLU 145 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3ibs h GLU 145 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3ibs h GLU 145 CO 0.01 0.11 0.00 0.41 -1.40 0.00 0.00 179.01 178.14 3ibs n GLY 146 N -0.41 1.04 3.13 -3.84 0.00 -1.26 -4.98 105.19 98.87 3ibs n GLY 146 Ca -0.01 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.82 -0.38 0.82 4.61 0.00 -0.21 -4.90 121.76 119.87 3ibs s ALA 147 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 3ibs s ALA 147 Cb 0.00 0.12 0.10 0.00 0.00 0.00 0.00 23.12 23.34 3ibs s ALA 147 CO 0.00 -0.23 1.18 -1.25 0.00 0.00 0.00 175.76 175.46 3ibs s PRO 148 N -1.51 1.78 -0.28 0.00 0.04 -1.26 -0.39 135.00 133.39 3ibs s PRO 148 Ca -0.14 -0.03 -0.01 0.00 0.04 0.00 0.00 61.00 60.87 3ibs s PRO 148 Cb -0.07 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.56 3ibs s PRO 148 CO 0.01 -1.68 -0.04 0.42 0.04 0.00 0.00 177.00 175.75 3ibs s ILE 149 N -3.58 2.75 0.51 0.56 1.01 -1.26 -4.34 121.20 116.85 3ibs s ILE 149 Ca 0.64 -1.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 3ibs s ILE 149 Cb -0.10 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.76 3ibs s ILE 149 CO 0.49 -0.01 1.09 -2.16 0.00 0.00 0.00 174.94 174.35 3ibs s PRO 150 N 1.23 3.56 -0.25 2.79 0.04 -1.26 -1.16 135.00 139.96 3ibs s PRO 150 Ca -0.05 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 3ibs s PRO 150 Cb -0.19 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3ibs s PRO 150 CO -0.03 -0.66 0.10 0.08 0.04 0.00 0.00 177.00 176.53 3ibs s VAL 151 N -1.84 4.64 0.15 -0.36 1.01 -0.69 -4.76 120.40 118.53 3ibs s VAL 151 Ca 0.70 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.37 3ibs s VAL 151 Cb -0.21 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3ibs s VAL 151 CO 0.24 0.33 1.61 -0.33 0.00 0.00 0.00 175.10 176.95 3ibs h GLU 152 N 8.06 -0.34 0.00 2.72 4.39 -1.95 -2.87 114.58 124.60 3ibs h GLU 152 Ca -0.37 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.26 3ibs h GLU 152 Cb 1.18 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3ibs h GLU 152 CO 0.59 -0.22 -0.45 0.78 -1.16 0.00 0.00 179.01 178.54 3ibs h GLY 153 N -0.35 0.00 -0.16 -3.84 0.00 -1.97 -3.47 103.07 93.29 3ibs h GLY 153 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 3ibs h GLY 153 CO -0.41 0.00 -0.03 -1.30 0.00 0.00 0.00 176.54 174.79 3ibs n THR 154 N -3.46 0.00 -1.38 4.70 -2.24 -1.08 -5.04 114.28 105.78 3ibs n THR 154 Ca 0.00 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 3ibs n THR 154 Cb 0.59 -0.55 0.21 0.00 -2.10 0.00 0.00 70.33 68.48 3ibs n THR 154 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ibs n ASN 155 N -2.19 2.72 -4.83 3.42 4.13 -1.26 -4.79 115.26 112.45 3ibs n ASN 155 Ca 0.00 -3.67 -0.28 0.00 1.68 0.00 0.00 54.58 52.31 3ibs n ASN 155 Cb 0.09 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 37.66 3ibs n ASN 155 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ibs s ASP 156 N -2.39 4.45 0.24 6.41 2.15 -1.26 -5.02 116.67 121.25 3ibs s ASP 156 Ca 0.45 -1.34 0.10 0.00 0.43 0.00 0.00 52.55 52.20 3ibs s ASP 156 Cb 0.40 0.30 -0.05 0.00 -0.30 0.00 0.00 42.92 43.27 3ibs s ASP 156 CO 0.01 -0.94 -0.19 -0.31 -0.17 0.00 0.00 175.17 173.58 3ibs s TYR 157 N -2.77 2.08 0.37 -5.34 2.02 -1.26 -1.71 117.35 110.74 3ibs s TYR 157 Ca 0.27 -0.41 -0.28 0.00 -0.37 0.00 0.00 57.07 56.27 3ibs s TYR 157 Cb -0.00 -0.94 -0.11 0.00 -0.40 0.00 0.00 41.96 40.51 3ibs s TYR 157 CO 0.16 0.57 1.49 1.03 -1.57 0.00 0.00 175.55 177.22 3ibs s ARG 158 N -3.42 4.12 0.05 -0.62 1.81 -0.31 -4.87 118.95 115.71 3ibs s ARG 158 Ca 0.26 2.56 0.08 0.00 -1.72 0.00 0.00 55.73 56.91 3ibs s ARG 158 Cb -0.04 -2.97 -0.03 0.00 -0.45 0.00 0.00 34.95 31.46 3ibs s ARG 158 CO 0.12 -0.53 -0.22 1.03 -0.68 0.00 0.00 175.30 175.01 3ibs s ARG 159 N -1.98 1.43 1.16 3.54 0.52 -1.26 -1.06 118.95 121.30 3ibs s ARG 159 Ca 0.53 -1.01 -0.19 0.00 -0.52 0.00 0.00 55.73 54.54 3ibs s ARG 159 Cb -0.46 -1.59 0.28 0.00 0.52 0.00 0.00 34.95 33.70 3ibs s ARG 159 CO 0.62 0.40 1.18 0.16 0.02 0.00 0.00 175.30 177.68 3ibs s ASP 160 N -1.31 1.34 0.24 0.23 1.47 -0.29 -4.84 116.67 113.52 3ibs s ASP 160 Ca 0.08 0.44 -0.05 0.00 1.18 0.00 0.00 52.55 54.20 3ibs s ASP 160 Cb -0.09 -0.55 0.46 0.00 -0.34 0.00 0.00 42.92 42.40 3ibs s ASP 160 CO 0.02 -3.84 1.70 -0.09 0.68 0.00 0.00 175.17 173.64 3ibs h ARG 161 N -2.40 0.31 0.00 2.11 2.43 -2.01 -0.26 114.38 114.56 3ibs h ARG 161 Ca -0.43 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3ibs h ARG 161 Cb 1.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3ibs h ARG 161 CO 0.31 0.21 0.00 0.39 -1.51 0.00 0.00 179.97 179.37 3ibs n GLU 162 N -5.11 0.02 -0.04 0.20 1.02 -1.26 -4.88 120.64 110.59 3ibs n GLU 162 Ca 0.14 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 3ibs n GLU 162 Cb 0.45 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.33 0.94 3.87 0.62 0.00 -0.11 -5.09 105.19 105.75 3ibs n GLY 163 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.08 6.65 0.14 1.61 0.02 -1.26 -4.76 114.94 115.25 3ibs s ASN 164 Ca 0.00 0.83 -0.34 0.00 -1.02 0.00 0.00 52.86 52.33 3ibs s ASN 164 Cb 0.00 -2.19 -0.13 0.00 0.02 0.00 0.00 41.25 38.95 3ibs s ASN 164 CO 0.00 0.11 1.63 0.52 0.02 0.00 0.00 177.10 179.38 3ibs n VAL 165 N 0.63 0.07 -2.68 1.60 0.31 -1.26 -1.14 118.33 115.87 3ibs n VAL 165 Ca -0.06 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 3ibs n VAL 165 Cb 0.52 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 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 1.32 4.68 -0.25 2.52 1.01 -0.22 -4.82 121.20 125.44 3ibs s ILE 166 Ca 0.80 2.00 -0.05 0.00 0.00 0.00 0.00 60.65 63.40 3ibs s ILE 166 Cb -0.66 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 37.53 3ibs s ILE 166 CO 0.39 0.19 -0.00 -0.69 0.00 0.00 0.00 174.94 174.83 3ibs s VAL 167 N 0.75 3.53 -0.15 2.92 1.01 -1.26 -4.02 120.40 123.18 3ibs s VAL 167 Ca 0.51 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3ibs s VAL 167 Cb -0.23 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3ibs s VAL 167 CO 0.29 0.28 0.09 0.28 0.00 0.00 0.00 175.10 176.04 3ibs s THR 168 N 1.47 5.10 0.01 3.92 -1.32 0.48 -4.80 115.64 120.49 3ibs s THR 168 Ca 0.04 0.07 0.09 0.00 -1.21 0.00 0.00 61.69 60.67 3ibs s THR 168 Cb -0.16 -3.26 -0.02 0.00 -1.51 0.00 0.00 72.50 67.55 3ibs s THR 168 CO -0.01 0.53 -0.26 -0.13 -2.21 0.00 0.00 174.62 172.53 3ibs s ARG 169 N -0.27 1.96 0.16 7.08 0.52 -1.26 -1.05 118.95 126.10 3ibs s ARG 169 Ca 0.09 -1.00 -0.31 0.00 -0.52 0.00 0.00 55.73 53.99 3ibs s ARG 169 Cb -0.12 -2.00 -0.10 0.00 0.52 0.00 0.00 34.95 33.25 3ibs s ARG 169 CO 0.01 0.54 1.66 -1.17 0.02 0.00 0.00 175.30 176.36 3ibs s LEU 170 N -0.88 4.37 -0.76 2.53 2.96 -1.26 -4.62 118.68 121.02 3ibs s LEU 170 Ca 0.11 2.68 -0.10 0.00 -0.22 0.00 0.00 54.13 56.60 3ibs s LEU 170 Cb -0.10 -3.59 0.20 0.00 0.50 0.00 0.00 46.19 43.20 3ibs s LEU 170 CO 0.00 -0.90 0.66 0.21 -1.32 0.00 0.00 176.35 175.01 3ibs s ASN 171 N 1.56 6.28 0.19 3.68 3.84 0.18 -4.21 114.94 126.46 3ibs s ASN 171 Ca 0.73 -2.75 -0.06 0.00 0.21 0.00 0.00 52.86 50.99 3ibs s ASN 171 Cb -0.45 -2.10 0.12 0.00 -0.55 0.00 0.00 41.25 38.27 3ibs s ASN 171 CO 0.32 -0.51 1.59 -0.33 -2.79 0.00 0.00 177.10 175.39 3ibs h GLU 172 N 7.54 0.85 0.00 0.43 5.08 -1.93 -2.67 114.58 123.88 3ibs h GLU 172 Ca 0.07 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3ibs h GLU 172 Cb 1.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3ibs h GLU 172 CO 0.74 1.00 0.00 0.41 -1.00 0.00 0.00 179.01 180.16 3ibs n GLY 173 N -0.16 0.00 1.16 -3.84 0.00 -1.26 -0.33 105.19 100.76 3ibs n GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.75 -0.87 0.00 4.20 -0.97 -2.34 115.11 115.89 3ibs h GLN 176 Ca 0.00 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 3ibs h GLN 176 Cb 0.00 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3ibs h GLN 176 CO 0.00 0.86 0.45 0.93 -0.67 0.00 0.00 178.83 180.40 3ibs h GLU 177 N 0.58 1.24 0.06 1.46 5.08 -1.47 -1.11 114.58 120.41 3ibs h GLU 177 Ca 0.11 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ibs h GLU 177 Cb 0.54 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ibs h GLU 177 CO 0.03 0.92 -0.03 0.82 -1.00 0.00 0.00 179.01 179.75 3ibs h ILE 178 N 1.23 1.06 -0.80 3.13 2.04 -1.80 -2.57 117.51 119.80 3ibs h ILE 178 Ca 0.30 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3ibs h ILE 178 Cb 0.07 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3ibs h ILE 178 CO -0.04 0.10 0.38 0.00 0.00 0.00 0.00 178.15 178.58 3ibs h ALA 179 N 0.68 1.04 0.37 1.87 0.00 -1.34 0.58 119.26 122.45 3ibs h ALA 179 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ibs h ALA 179 Cb 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ibs h ALA 179 CO 0.01 0.61 -0.19 -0.22 0.00 0.00 0.00 179.25 179.46 3ibs h LYS 180 N 1.14 -0.50 0.00 0.00 3.64 -1.21 -0.54 116.57 119.10 3ibs h LYS 180 Ca 0.27 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3ibs h LYS 180 Cb 0.13 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3ibs h LYS 180 CO -0.03 -0.33 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.14 3ibs h ASP 181 N -0.52 0.00 0.01 4.20 5.19 -1.41 -2.44 116.42 121.46 3ibs h ASP 181 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3ibs h ASP 181 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3ibs h ASP 181 CO 0.07 0.24 -0.00 0.61 -3.12 0.00 0.00 179.24 177.04 3ibs n GLY 182 N 0.28 -0.69 2.48 2.75 0.00 0.19 -3.99 105.19 106.21 3ibs n GLY 182 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.63 -1.45 0.00 1.61 5.02 -0.61 -0.48 118.16 121.62 3ibs n LYS 183 Ca 0.22 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.59 3ibs n LYS 183 Cb 0.19 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.68 3ibs n LYS 183 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ibs n GLY 184 N -0.77 3.84 3.58 0.72 0.00 -0.31 -4.66 105.19 107.59 3ibs n GLY 184 Ca -0.21 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 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 1.75 3.23 -0.11 -0.61 -4.36 -1.26 -4.55 121.20 115.29 3ibs s ILE 185 Ca 0.00 -1.69 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 3ibs s ILE 185 Cb 0.00 -2.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 3ibs s ILE 185 CO 0.00 -0.15 -0.07 -0.47 0.24 0.00 0.00 174.94 174.49 3ibs s TYR 186 N -1.80 2.93 -0.01 1.37 5.04 -1.26 -1.39 117.35 122.23 3ibs s TYR 186 Ca 0.26 -0.25 -0.01 0.00 -2.44 0.00 0.00 57.07 54.63 3ibs s TYR 186 Cb -0.08 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.40 3ibs s TYR 186 CO 0.16 0.07 0.03 0.54 -1.34 0.00 0.00 175.55 175.01 3ibs s VAL 187 N -0.12 0.00 0.02 3.14 0.11 -0.82 -5.00 120.40 117.74 3ibs s VAL 187 Ca 0.01 -0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.72 3ibs s VAL 187 Cb -0.13 -0.06 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3ibs s VAL 187 CO 0.03 -0.02 1.00 -0.60 -3.33 0.00 0.00 175.10 172.18 3ibs s ARG 188 N -0.05 4.57 -0.15 1.54 3.52 -1.26 -0.92 118.95 126.19 3ibs s ARG 188 Ca -0.01 1.46 -0.23 0.00 -0.13 0.00 0.00 55.73 56.83 3ibs s ARG 188 Cb -0.01 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3ibs s ARG 188 CO 0.00 -0.03 0.71 0.08 -0.81 0.00 0.00 175.30 175.25 3ibs s VAL 189 N 0.85 4.99 0.00 7.11 1.01 0.28 -4.55 120.40 130.09 3ibs s VAL 189 Ca 0.52 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3ibs s VAL 189 Cb -0.22 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3ibs s VAL 189 CO 0.28 0.13 0.00 -0.90 0.00 0.00 0.00 175.10 174.61 3ibs n ASP 190 N 4.73 1.43 0.25 3.32 5.68 -1.26 -4.11 116.55 126.58 3ibs n ASP 190 Ca 0.00 -0.67 0.10 0.00 -0.50 0.00 0.00 54.79 53.73 3ibs n ASP 190 Cb 0.50 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.14 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 -3.65 -1.12 2.35 -1.94 -3.44 115.58 107.77 3ibs h ASN 191 Ca 0.00 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.33 3ibs h ASN 191 Cb 0.00 0.00 0.18 0.00 0.05 0.00 0.00 38.32 38.55 3ibs h ASN 191 CO 0.00 0.12 0.20 -0.94 -1.65 0.00 0.00 177.43 175.16 3ibs s SER 192 N -6.52 1.53 -0.01 5.81 1.04 -1.26 -4.95 113.70 109.35 3ibs s SER 192 Ca -0.04 0.60 0.08 0.00 0.48 0.00 0.00 55.95 57.07 3ibs s SER 192 Cb 0.15 -0.84 0.25 0.00 0.10 0.00 0.00 66.02 65.68 3ibs s SER 192 CO 0.63 -3.74 1.18 0.59 0.98 0.00 0.00 173.24 172.87 3ibs n ASN 193 N -4.50 1.59 -0.24 7.02 5.03 -1.26 -4.50 115.26 118.40 3ibs n ASN 193 Ca 0.13 -2.03 -0.06 0.00 0.87 0.00 0.00 54.58 53.48 3ibs n ASN 193 Cb 0.59 -0.22 0.04 0.00 -1.02 0.00 0.00 39.78 39.18 3ibs n ASN 193 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3ibs h SER 194 N 1.59 0.84 -0.25 6.41 4.64 -1.92 -1.89 113.55 122.98 3ibs h SER 194 Ca 0.00 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 3ibs h SER 194 Cb 0.43 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3ibs h SER 194 CO 0.02 0.72 0.01 0.00 -0.87 0.00 0.00 176.83 176.71 3ibs h ALA 195 N 1.15 0.34 -0.23 5.18 0.00 -1.80 -1.55 119.26 122.35 3ibs h ALA 195 Ca 0.23 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ibs h ALA 195 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ibs h ALA 195 CO -0.03 0.05 0.12 0.37 0.00 0.00 0.00 179.25 179.77 3ibs h GLN 196 N 0.22 0.25 -0.97 0.00 -0.00 -1.84 -1.24 115.11 111.54 3ibs h GLN 196 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3ibs h GLN 196 Cb 0.39 -0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.77 3ibs h GLN 196 CO 0.01 0.17 0.62 0.87 0.00 0.00 0.00 178.83 180.50 3ibs h LYS 197 N 0.26 1.29 -0.33 1.69 1.79 -1.30 -0.46 116.57 119.51 3ibs h LYS 197 Ca 0.09 -0.09 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 3ibs h LYS 197 Cb 0.01 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.37 3ibs h LYS 197 CO -0.05 0.87 -0.30 0.00 -1.08 0.00 0.00 179.45 178.89 3ibs h ALA 198 N 1.37 0.48 -0.25 3.86 0.00 -0.77 -2.49 119.26 121.45 3ibs h ALA 198 Ca 0.35 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3ibs h ALA 198 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3ibs h ALA 198 CO -0.07 0.51 -0.59 0.97 0.00 0.00 0.00 179.25 180.07 3ibs h ILE 199 N 0.55 1.28 -0.76 0.00 6.09 -1.12 -2.70 117.51 120.85 3ibs h ILE 199 Ca 0.05 -1.79 0.02 0.00 -1.37 0.00 0.00 64.86 61.78 3ibs h ILE 199 Cb 0.88 1.71 -0.04 0.00 0.47 0.00 0.00 36.82 39.84 3ibs h ILE 199 CO 0.08 0.58 0.50 0.28 -3.07 0.00 0.00 178.15 176.51 3ibs h SER 200 N 0.60 0.83 0.85 2.19 0.02 -1.10 -0.99 113.55 115.96 3ibs h SER 200 Ca 0.00 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 3ibs h SER 200 Cb 1.19 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 3ibs h SER 200 CO 0.13 0.59 -0.73 0.06 -1.14 0.00 0.00 176.83 175.74 3ibs h GLN 201 N 0.98 0.00 -0.44 3.45 3.07 -1.42 -2.35 115.11 118.40 3ibs h GLN 201 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.91 3ibs h GLN 201 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 3ibs h GLN 201 CO -0.07 0.73 -0.18 1.49 0.09 0.00 0.00 178.83 180.89 3ibs h GLU 202 N 0.00 0.90 0.02 0.06 4.57 -1.11 -2.00 114.58 117.02 3ibs h GLU 202 Ca -0.01 -0.38 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 3ibs h GLU 202 Cb 1.35 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 3ibs h GLU 202 CO 0.09 1.03 -0.09 0.82 -1.18 0.00 0.00 179.01 179.68 3ibs h ILE 203 N 0.73 0.77 0.00 2.32 2.04 -1.11 -3.14 117.51 119.13 3ibs h ILE 203 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3ibs h ILE 203 Cb 0.74 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3ibs h ILE 203 CO 0.06 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.98 3ibs h SER 204 N -0.17 0.00 0.00 1.72 4.64 -1.42 -0.94 113.55 117.38 3ibs h SER 204 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ibs h SER 204 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3ibs h SER 204 CO -0.08 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.05 3ibs n LYS 205 N -2.74 0.68 0.00 4.77 4.81 -0.75 -2.91 118.16 122.01 3ibs n LYS 205 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3ibs n LYS 205 Cb 0.43 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.29 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 0.56 0.00 -1.21 3.14 0.00 -0.36 -3.57 120.51 119.07 3ibs n ALA 207 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3ibs n ALA 207 Cb 0.31 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.88 3ibs n ALA 207 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ibs n LYS 208 N 0.00 2.41 0.00 0.00 5.02 -1.15 -4.68 118.16 119.76 3ibs n LYS 208 Ca 0.00 -3.01 0.07 0.00 -2.02 0.00 0.00 58.31 53.34 3ibs n LYS 208 Cb 0.00 -2.18 0.06 0.00 -0.02 0.00 0.00 35.03 32.88 3ibs n LYS 208 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33