#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgr s SER 64 N 0.00 1.54 -0.13 -1.34 0.15 -1.26 0.64 113.70 113.30 3fgr s SER 64 Ca 0.00 -0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 3fgr s SER 64 Cb 0.00 -0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 3fgr s SER 64 CO 0.00 0.04 0.33 -0.60 1.20 0.00 0.00 173.24 174.21 3fgr s ARG 65 N -0.96 0.34 -0.05 5.44 3.52 -0.10 -4.98 118.95 122.15 3fgr s ARG 65 Ca 0.02 0.56 0.05 0.00 -0.13 0.00 0.00 55.73 56.22 3fgr s ARG 65 Cb -0.07 0.05 -0.00 0.00 -1.56 0.00 0.00 34.95 33.36 3fgr s ARG 65 CO 0.01 -0.11 -0.20 0.99 -0.81 0.00 0.00 175.30 175.19 3fgr s THR 66 N 0.78 1.64 -0.00 4.11 2.01 -1.26 -1.25 115.64 121.67 3fgr s THR 66 Ca -0.05 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 3fgr s THR 66 Cb -0.06 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 3fgr s THR 66 CO -0.05 0.47 0.06 -0.13 -0.69 0.00 0.00 174.62 174.27 3fgr s ARG 67 N 0.01 0.29 0.07 4.92 0.52 -0.42 -0.85 118.95 123.50 3fgr s ARG 67 Ca -0.05 -0.30 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 3fgr s ARG 67 Cb -0.13 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.43 3fgr s ARG 67 CO 0.03 -0.06 -0.21 -1.12 0.02 0.00 0.00 175.30 173.97 3fgr s SER 68 N -0.93 2.48 -0.32 0.23 0.01 -0.04 -1.44 113.70 113.68 3fgr s SER 68 Ca -0.10 -0.61 -0.07 0.00 1.31 0.00 0.00 55.95 56.48 3fgr s SER 68 Cb -0.06 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.03 3fgr s SER 68 CO 0.00 0.10 0.10 -0.22 0.41 0.00 0.00 173.24 173.63 3fgr s LEU 69 N -1.56 4.16 0.09 2.44 2.96 0.06 -0.51 118.68 126.31 3fgr s LEU 69 Ca 0.07 -0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 52.97 3fgr s LEU 69 Cb -0.09 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 3fgr s LEU 69 CO 0.03 -0.28 0.29 -0.76 -1.32 0.00 0.00 176.35 174.31 3fgr s LEU 70 N 1.44 4.32 -0.37 -0.68 1.02 0.28 -0.45 118.68 124.24 3fgr s LEU 70 Ca 0.00 0.44 -0.12 0.00 0.02 0.00 0.00 54.13 54.47 3fgr s LEU 70 Cb -0.19 -3.09 0.02 0.00 0.02 0.00 0.00 46.19 42.95 3fgr s LEU 70 CO 0.03 0.13 0.22 -0.22 0.02 0.00 0.00 176.35 176.52 3fgr s LEU 71 N -2.50 4.68 -0.64 1.79 2.96 -1.26 -0.74 118.68 122.97 3fgr s LEU 71 Ca 0.37 -0.86 -0.27 0.00 -0.22 0.00 0.00 54.13 53.15 3fgr s LEU 71 Cb -0.13 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3fgr s LEU 71 CO 0.25 -0.36 1.43 -0.62 -1.32 0.00 0.00 176.35 175.74 3fgr s ASP 72 N 1.60 6.01 0.40 3.68 2.15 -0.11 -4.87 116.67 125.53 3fgr s ASP 72 Ca 0.03 0.02 0.07 0.00 0.43 0.00 0.00 52.55 53.11 3fgr s ASP 72 Cb -0.19 -2.55 0.82 0.00 -0.30 0.00 0.00 42.92 40.70 3fgr s ASP 72 CO 0.07 -1.86 2.00 0.00 -0.17 0.00 0.00 175.17 175.22 3fgr h ALA 73 N 11.28 1.62 -0.02 3.66 0.00 -1.95 1.32 119.26 135.18 3fgr h ALA 73 Ca -0.27 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3fgr h ALA 73 Cb 1.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3fgr h ALA 73 CO 1.22 0.30 -0.11 0.00 0.00 0.00 0.00 179.25 180.67 3fgr h ALA 74 N 1.69 -0.55 0.00 0.00 0.00 -1.97 -3.24 119.26 115.20 3fgr h ALA 74 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fgr h ALA 74 Cb 0.10 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3fgr h ALA 74 CO -0.01 -0.58 -0.65 0.66 0.00 0.00 0.00 179.25 178.67 3fgr h SER 75 N -0.12 0.00 -0.46 0.00 4.64 -1.92 -3.47 113.55 112.22 3fgr h SER 75 Ca 0.00 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 3fgr h SER 75 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 3fgr h SER 75 CO -0.08 0.03 -0.16 0.61 -0.87 0.00 0.00 176.83 176.36 3fgr n GLY 76 N 1.21 0.92 3.87 -0.77 0.00 0.45 -5.01 105.19 105.86 3fgr n GLY 76 Ca 0.02 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 3fgr n GLY 76 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fgr s GLN 77 N -2.85 3.63 0.06 1.61 -1.52 -1.15 -4.87 119.66 114.57 3fgr s GLN 77 Ca 0.00 0.04 -0.19 0.00 -1.95 0.00 0.00 55.36 53.26 3fgr s GLN 77 Cb 0.00 -3.15 -0.07 0.00 -0.22 0.00 0.00 33.01 29.58 3fgr s GLN 77 CO 0.00 0.70 0.57 -0.51 -0.25 0.00 0.00 175.29 175.80 3fgr s LEU 78 N -1.35 4.51 -0.10 2.90 1.43 -1.26 -0.93 118.68 123.88 3fgr s LEU 78 Ca 0.23 1.25 -0.08 0.00 -1.03 0.00 0.00 54.13 54.49 3fgr s LEU 78 Cb -0.14 -2.89 0.03 0.00 0.03 0.00 0.00 46.19 43.22 3fgr s LEU 78 CO 0.11 0.26 0.27 0.00 0.23 0.00 0.00 176.35 177.22 3fgr s ARG 79 N -1.00 0.29 0.18 1.70 1.70 0.08 -4.98 118.95 116.93 3fgr s ARG 79 Ca 0.29 0.41 -0.27 0.00 -0.47 0.00 0.00 55.73 55.69 3fgr s ARG 79 Cb -0.19 0.10 -0.08 0.00 -0.57 0.00 0.00 34.95 34.20 3fgr s ARG 79 CO 0.19 -0.06 0.84 -0.51 -1.08 0.00 0.00 175.30 174.68 3fgr s LEU 80 N 0.38 4.60 0.04 -1.89 1.43 -1.26 -0.56 118.68 121.43 3fgr s LEU 80 Ca -0.02 1.75 0.05 0.00 -1.03 0.00 0.00 54.13 54.88 3fgr s LEU 80 Cb -0.04 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3fgr s LEU 80 CO -0.02 0.16 -0.14 -1.61 0.23 0.00 0.00 176.35 174.98 3fgr s GLU 81 N -1.02 0.90 0.52 1.70 2.02 0.33 -4.96 118.70 118.20 3fgr s GLU 81 Ca 0.38 -0.79 -0.20 0.00 0.02 0.00 0.00 54.97 54.38 3fgr s GLU 81 Cb -0.24 -0.91 -0.06 0.00 0.10 0.00 0.00 34.13 33.02 3fgr s GLU 81 CO 0.28 0.22 1.14 -0.51 0.02 0.00 0.00 175.26 176.41 3fgr s ASP 82 N -1.25 5.84 0.00 -0.19 1.11 -1.26 -0.86 116.67 120.06 3fgr s ASP 82 Ca 0.01 2.21 0.00 0.00 0.18 0.00 0.00 52.55 54.95 3fgr s ASP 82 Cb -0.08 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.32 3fgr s ASP 82 CO 0.01 -1.14 0.00 0.61 1.18 0.00 0.00 175.17 175.83 3fgr n GLY 83 N 0.23 -2.16 3.61 0.21 0.00 -0.03 -4.77 105.19 102.28 3fgr n GLY 83 Ca 0.11 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 3fgr n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fgr s PHE 84 N -0.26 3.26 -0.41 1.61 5.36 -1.26 -3.17 117.98 123.10 3fgr s PHE 84 Ca 0.00 0.36 0.02 0.00 -0.96 0.00 0.00 56.93 56.34 3fgr s PHE 84 Cb 0.00 -2.51 0.14 0.00 -0.34 0.00 0.00 43.02 40.30 3fgr s PHE 84 CO 0.00 -0.18 0.23 -1.01 -1.46 0.00 0.00 175.22 172.80 3fgr s HIS 85 N 1.88 1.69 -1.17 10.12 3.76 -1.26 -4.99 115.29 125.31 3fgr s HIS 85 Ca 0.13 -2.22 0.03 0.00 -0.15 0.00 0.00 55.06 52.85 3fgr s HIS 85 Cb -0.16 -1.66 0.14 0.00 1.11 0.00 0.00 32.58 32.01 3fgr s HIS 85 CO 0.10 -0.80 1.03 -0.35 -0.85 0.00 0.00 174.74 173.87 3fgr n PRO 86 N 3.70 0.02 0.14 8.40 -0.04 -1.26 -0.43 135.00 145.52 3fgr n PRO 86 Ca 0.09 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 3fgr n PRO 86 Cb 0.35 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.76 3fgr n PRO 86 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3fgr h ASP 87 N 0.00 0.00 -3.93 3.54 2.03 -1.99 -3.47 116.42 112.59 3fgr h ASP 87 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 3fgr h ASP 87 Cb 0.04 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 38.70 3fgr h ASP 87 CO 0.00 0.00 0.21 0.00 -1.03 0.00 0.00 179.24 178.42 3fgr s ALA 88 N -3.24 1.10 0.22 4.15 0.00 0.43 -4.91 121.76 119.51 3fgr s ALA 88 Ca 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3fgr s ALA 88 Cb 0.10 -3.12 0.20 0.00 0.00 0.00 0.00 23.12 20.30 3fgr s ALA 88 CO 0.51 -2.72 1.59 0.28 0.00 0.00 0.00 175.76 175.42 3fgr h VAL 89 N -1.81 1.29 -3.03 0.00 2.07 -1.08 -3.41 116.25 110.28 3fgr h VAL 89 Ca -0.53 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.41 3fgr h VAL 89 Cb 1.32 1.48 -0.14 0.00 -1.52 0.00 0.00 31.29 32.44 3fgr h VAL 89 CO 0.58 0.49 0.04 0.00 0.02 0.00 0.00 177.57 178.69 3fgr s ALA 90 N -4.32 -1.25 0.08 1.67 0.00 -1.23 -0.67 121.76 116.04 3fgr s ALA 90 Ca -0.08 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 3fgr s ALA 90 Cb 0.12 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 3fgr s ALA 90 CO 0.83 -0.61 0.19 1.67 0.00 0.00 0.00 175.76 177.83 3fgr s TRP 91 N -3.20 0.14 0.01 0.00 -2.14 -0.69 -0.76 118.94 112.30 3fgr s TRP 91 Ca -0.01 -0.52 -0.14 0.00 2.66 0.00 0.00 56.10 58.09 3fgr s TRP 91 Cb 0.00 -0.06 0.02 0.00 -3.10 0.00 0.00 33.47 30.33 3fgr s TRP 91 CO -0.08 -0.51 0.30 0.00 -2.66 0.00 0.00 176.95 174.00 3fgr s ALA 92 N -3.55 -0.71 0.00 2.67 0.00 -0.52 -1.04 121.76 118.62 3fgr s ALA 92 Ca 0.03 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 3fgr s ALA 92 Cb 0.03 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 3fgr s ALA 92 CO -0.09 -0.32 -0.01 0.54 0.00 0.00 0.00 175.76 175.88 3fgr s ASN 93 N -1.66 0.05 -0.09 0.00 4.22 -0.08 -1.31 114.94 116.08 3fgr s ASN 93 Ca -0.10 -0.11 0.04 0.00 -2.14 0.00 0.00 52.86 50.55 3fgr s ASN 93 Cb -0.03 0.02 0.00 0.00 1.28 0.00 0.00 41.25 42.52 3fgr s ASN 93 CO 0.01 -0.06 -0.21 -0.22 -2.04 0.00 0.00 177.10 174.58 3fgr s LEU 94 N -0.31 1.97 -0.22 3.54 2.96 -0.38 -0.90 118.68 125.34 3fgr s LEU 94 Ca -0.03 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3fgr s LEU 94 Cb -0.02 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.43 3fgr s LEU 94 CO -0.00 0.13 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.20 3fgr s THR 95 N 0.37 3.04 -0.53 3.68 2.01 -0.10 -0.93 115.64 123.17 3fgr s THR 95 Ca -0.16 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 60.96 3fgr s THR 95 Cb -0.17 -2.40 0.07 0.00 0.01 0.00 0.00 72.50 70.01 3fgr s THR 95 CO 0.07 0.40 0.66 0.21 -0.69 0.00 0.00 174.62 175.27 3fgr s ASN 96 N 1.41 6.21 -0.29 3.53 3.84 0.21 -0.73 114.94 129.13 3fgr s ASN 96 Ca 0.05 -1.04 0.10 0.00 0.21 0.00 0.00 52.86 52.17 3fgr s ASN 96 Cb -0.14 -2.30 0.52 0.00 -0.55 0.00 0.00 41.25 38.77 3fgr s ASN 96 CO -0.05 -0.98 1.48 0.00 -2.79 0.00 0.00 177.10 174.77 3fgr n ALA 97 N 6.29 4.21 -0.20 1.71 0.00 -0.92 -4.78 120.51 126.82 3fgr n ALA 97 Ca -0.07 -3.02 -0.07 0.00 0.00 0.00 0.00 53.44 50.28 3fgr n ALA 97 Cb 0.45 -0.77 0.03 0.00 0.00 0.00 0.00 19.45 19.15 3fgr n ALA 97 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3fgr h ILE 98 N 1.10 1.18 -0.58 0.00 2.04 -1.73 0.24 117.51 119.75 3fgr h ILE 98 Ca 0.22 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.71 3fgr h ILE 98 Cb 1.70 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3fgr h ILE 98 CO 0.41 0.18 0.39 -0.09 0.00 0.00 0.00 178.15 179.04 3fgr h ARG 99 N 0.75 0.59 0.01 2.37 2.43 -1.88 -0.02 114.38 118.63 3fgr h ARG 99 Ca 0.20 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 59.03 3fgr h ARG 99 Cb 0.01 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 3fgr h ARG 99 CO -0.04 0.39 -1.81 0.39 -1.51 0.00 0.00 179.97 177.40 3fgr n GLU 100 N -4.47 0.65 0.00 0.20 4.71 -0.88 -4.69 120.64 116.16 3fgr n GLU 100 Ca 0.08 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 3fgr n GLU 100 Cb 0.20 -1.76 0.00 0.00 -1.01 0.00 0.00 31.44 28.87 3fgr n GLU 100 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3fgr n THR 101 N -3.07 0.00 -0.98 2.62 -2.24 0.02 -5.01 114.28 105.62 3fgr n THR 101 Ca -0.20 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3fgr n THR 101 Cb 1.06 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 3fgr n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgr n GLY 102 N 0.27 0.69 3.22 3.38 0.00 -0.03 -4.99 105.19 107.73 3fgr n GLY 102 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3fgr n GLY 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fgr s TRP 103 N -2.82 1.55 0.32 1.61 0.52 -1.26 -4.86 118.94 114.00 3fgr s TRP 103 Ca 0.00 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 55.80 3fgr s TRP 103 Cb 0.00 -0.89 -0.02 0.00 -1.15 0.00 0.00 33.47 31.41 3fgr s TRP 103 CO 0.00 0.10 0.33 0.00 0.02 0.00 0.00 176.95 177.40 3fgr s ALA 104 N -0.99 3.91 -0.04 0.98 0.00 -1.26 -2.00 121.76 122.35 3fgr s ALA 104 Ca 0.04 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.47 3fgr s ALA 104 Cb -0.09 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.69 3fgr s ALA 104 CO 0.02 0.05 -0.07 -0.47 0.00 0.00 0.00 175.76 175.29 3fgr s TYR 105 N -2.23 0.94 -0.08 0.00 5.04 0.09 -4.93 117.35 116.19 3fgr s TYR 105 Ca 0.40 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 54.80 3fgr s TYR 105 Cb -0.07 -0.74 -0.00 0.00 0.35 0.00 0.00 41.96 41.49 3fgr s TYR 105 CO 0.28 -0.18 -0.22 -1.17 -1.34 0.00 0.00 175.55 172.91 3fgr s LEU 106 N 0.66 2.01 -0.10 6.97 2.96 -1.26 -0.93 118.68 128.99 3fgr s LEU 106 Ca -0.10 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3fgr s LEU 106 Cb -0.13 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.28 3fgr s LEU 106 CO 0.01 0.17 -0.21 -0.62 -1.32 0.00 0.00 176.35 174.38 3fgr s ASP 107 N 0.21 2.82 -0.01 3.68 3.68 -0.08 -4.99 116.67 121.99 3fgr s ASP 107 Ca -0.13 -0.51 -0.00 0.00 2.13 0.00 0.00 52.55 54.04 3fgr s ASP 107 Cb -0.16 -1.29 0.01 0.00 -1.45 0.00 0.00 42.92 40.03 3fgr s ASP 107 CO 0.06 0.11 0.01 -0.22 0.13 0.00 0.00 175.17 175.26 3fgr s LEU 108 N 0.56 1.77 0.04 -1.34 0.20 -1.26 -0.90 118.68 117.75 3fgr s LEU 108 Ca -0.14 0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.72 3fgr s LEU 108 Cb -0.17 -0.01 -0.02 0.00 -0.43 0.00 0.00 46.19 45.56 3fgr s LEU 108 CO 0.05 -0.03 -0.09 -0.44 -0.29 0.00 0.00 176.35 175.54 3fgr s SER 109 N 0.26 1.05 0.32 3.68 0.01 -0.20 -5.01 113.70 113.80 3fgr s SER 109 Ca -0.02 -0.48 0.10 0.00 1.31 0.00 0.00 55.95 56.85 3fgr s SER 109 Cb -0.03 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.14 3fgr s SER 109 CO -0.01 -0.12 -0.06 0.42 0.41 0.00 0.00 173.24 173.89 3fgr s THR 110 N -1.11 2.62 -0.28 1.44 -4.23 -1.26 -1.71 115.64 111.10 3fgr s THR 110 Ca -0.06 -2.11 -0.07 0.00 -1.18 0.00 0.00 61.69 58.27 3fgr s THR 110 Cb -0.09 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 3fgr s THR 110 CO 0.01 -0.27 0.08 0.21 -0.54 0.00 0.00 174.62 174.11 3fgr s ASN 111 N -3.64 5.11 0.00 3.99 3.84 0.15 -4.96 114.94 119.43 3fgr s ASN 111 Ca 0.33 -0.58 0.11 0.00 0.21 0.00 0.00 52.86 52.94 3fgr s ASN 111 Cb -0.01 -1.89 0.54 0.00 -0.55 0.00 0.00 41.25 39.34 3fgr s ASN 111 CO 0.18 -0.15 1.30 0.61 -2.79 0.00 0.00 177.10 176.25 3fgr n GLY 112 N 4.88 -0.75 0.28 1.21 0.00 -1.26 -1.88 105.19 107.68 3fgr n GLY 112 Ca -0.15 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 45.97 3fgr n GLY 112 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fgr h ARG 113 N 0.00 0.00 -6.20 1.61 3.08 -1.96 -3.44 114.38 107.46 3fgr h ARG 113 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3fgr h ARG 113 Cb 0.14 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 3fgr h ARG 113 CO 0.00 0.07 -0.57 0.71 -1.07 0.00 0.00 179.97 179.11 3fgr s TYR 114 N -4.15 2.96 0.79 3.04 2.02 -0.79 -5.10 117.35 116.12 3fgr s TYR 114 Ca -0.03 -0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.41 3fgr s TYR 114 Cb 0.13 -1.33 0.07 0.00 -0.40 0.00 0.00 41.96 40.42 3fgr s TYR 114 CO 0.55 0.56 1.09 0.54 -1.57 0.00 0.00 175.55 176.71 3fgr s ASN 115 N -3.74 4.47 0.46 2.29 2.20 -1.26 -4.79 114.94 114.57 3fgr s ASN 115 Ca 0.32 1.56 0.25 0.00 -0.94 0.00 0.00 52.86 54.05 3fgr s ASN 115 Cb -0.07 -2.31 1.05 0.00 -2.00 0.00 0.00 41.25 37.92 3fgr s ASN 115 CO 0.23 -2.02 1.88 -2.24 -2.94 0.00 0.00 177.10 172.01 3fgr h ASP 116 N -1.12 0.00 -0.20 3.54 3.04 -1.95 -1.79 116.42 117.94 3fgr h ASP 116 Ca -0.46 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.32 3fgr h ASP 116 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 3fgr h ASP 116 CO 0.55 0.20 0.08 0.28 -2.04 0.00 0.00 179.24 178.32 3fgr h SER 117 N 0.00 0.27 -0.46 4.15 0.02 -1.98 0.10 113.55 115.65 3fgr h SER 117 Ca -0.00 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 3fgr h SER 117 Cb 0.65 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3fgr h SER 117 CO 0.03 0.35 -0.18 0.25 -1.14 0.00 0.00 176.83 176.13 3fgr h LEU 118 N 0.17 0.95 -0.58 5.07 5.85 -1.86 -2.02 115.31 122.89 3fgr h LEU 118 Ca 0.07 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.47 3fgr h LEU 118 Cb 0.16 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3fgr h LEU 118 CO -0.01 1.13 0.25 1.56 -0.34 0.00 0.00 178.44 181.03 3fgr h GLN 119 N 0.77 0.45 -0.21 1.25 4.20 -1.20 -0.66 115.11 119.71 3fgr h GLN 119 Ca 0.11 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3fgr h GLN 119 Cb 0.75 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3fgr h GLN 119 CO 0.06 0.30 0.08 0.00 -0.67 0.00 0.00 178.83 178.60 3fgr h ALA 120 N 1.37 0.27 -0.19 3.87 0.00 -0.69 0.17 119.26 124.06 3fgr h ALA 120 Ca 0.28 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3fgr h ALA 120 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3fgr h ALA 120 CO -0.25 -0.13 0.06 -0.92 0.00 0.00 0.00 179.25 178.00 3fgr h TYR 121 N 0.18 0.10 -0.63 0.00 3.20 -1.23 -2.62 116.97 115.97 3fgr h TYR 121 Ca 0.07 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3fgr h TYR 121 Cb 0.18 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3fgr h TYR 121 CO -0.01 0.05 0.39 0.00 -1.64 0.00 0.00 178.16 176.95 3fgr h ALA 122 N 1.12 1.50 -0.58 1.82 0.00 -0.84 -1.68 119.26 120.60 3fgr h ALA 122 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fgr h ALA 122 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3fgr h ALA 122 CO -0.09 0.44 0.38 0.00 0.00 0.00 0.00 179.25 179.98 3fgr h ALA 123 N 1.57 0.74 -0.46 0.00 0.00 -0.32 -0.22 119.26 120.57 3fgr h ALA 123 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3fgr h ALA 123 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3fgr h ALA 123 CO -0.04 0.16 0.26 0.78 0.00 0.00 0.00 179.25 180.40 3fgr h GLY 124 N 0.77 0.68 0.86 0.00 0.00 -1.05 -1.99 103.07 102.34 3fgr h GLY 124 Ca 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3fgr h GLY 124 CO -0.05 0.29 -0.16 -2.08 0.00 0.00 0.00 176.54 174.54 3fgr h VAL 125 N 0.61 0.66 -0.18 4.60 2.07 -0.80 -1.87 116.25 121.34 3fgr h VAL 125 Ca 0.16 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.57 3fgr h VAL 125 Cb 0.04 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3fgr h VAL 125 CO -0.03 0.00 -0.39 -0.37 0.02 0.00 0.00 177.57 176.80 3fgr h VAL 126 N -0.37 1.30 -0.10 2.57 -1.51 -1.04 -1.17 116.25 115.94 3fgr h VAL 126 Ca -0.01 -1.52 0.02 0.00 -1.23 0.00 0.00 66.70 63.96 3fgr h VAL 126 Cb 0.33 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 31.07 3fgr h VAL 126 CO -0.01 0.47 -0.02 -0.08 -1.23 0.00 0.00 177.57 176.69 3fgr h GLU 127 N 0.33 0.00 -0.86 5.19 4.81 -1.18 -2.46 114.58 120.42 3fgr h GLU 127 Ca 0.03 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3fgr h GLU 127 Cb 0.84 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 3fgr h GLU 127 CO 0.07 0.00 0.45 0.00 -0.73 0.00 0.00 179.01 178.80 3fgr h ALA 128 N 1.10 1.11 -0.12 2.92 0.00 -1.13 -2.53 119.26 120.60 3fgr h ALA 128 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fgr h ALA 128 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3fgr h ALA 128 CO -0.10 0.64 0.02 1.03 0.00 0.00 0.00 179.25 180.84 3fgr h SER 129 N 1.21 0.15 0.11 0.00 0.87 -0.86 -1.78 113.55 113.25 3fgr h SER 129 Ca 0.30 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3fgr h SER 129 Cb 0.07 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3fgr h SER 129 CO -0.04 0.18 -0.61 1.33 -0.53 0.00 0.00 176.83 177.15 3fgr n VAL 130 N -4.45 0.00 -1.39 2.23 0.24 -0.96 -4.40 118.33 109.60 3fgr n VAL 130 Ca -0.01 -0.11 0.07 0.00 -2.04 0.00 0.00 64.34 62.25 3fgr n VAL 130 Cb 0.14 0.88 0.11 0.00 -1.47 0.00 0.00 33.84 33.50 3fgr n VAL 130 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3fgr n SER 131 N -0.83 1.71 -0.20 -1.34 3.41 -0.94 -4.75 113.62 110.69 3fgr n SER 131 Ca 0.08 -2.91 -0.03 0.00 -0.26 0.00 0.00 58.87 55.75 3fgr n SER 131 Cb 0.38 -0.39 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 3fgr n SER 131 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3fgr h GLU 132 N 0.16 0.58 -0.27 4.33 5.08 -1.55 0.01 114.58 122.92 3fgr h GLU 132 Ca -0.01 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 3fgr h GLU 132 Cb 1.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3fgr h GLU 132 CO 0.00 0.38 -0.42 0.93 -1.00 0.00 0.00 179.01 178.90 3fgr h GLU 133 N 0.60 0.66 -0.65 2.33 4.39 -1.89 -1.64 114.58 118.38 3fgr h GLU 133 Ca 0.27 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 3fgr h GLU 133 Cb 0.18 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3fgr h GLU 133 CO -0.18 0.96 0.18 -0.07 -1.16 0.00 0.00 179.01 178.73 3fgr h LEU 134 N 0.54 0.95 -0.42 1.33 3.38 -1.75 -1.84 115.31 117.49 3fgr h LEU 134 Ca 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3fgr h LEU 134 Cb 0.96 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3fgr h LEU 134 CO 0.09 0.90 0.24 0.40 0.09 0.00 0.00 178.44 180.16 3fgr h ILE 135 N 0.97 1.14 -0.03 1.22 2.04 -0.80 -0.56 117.51 121.48 3fgr h ILE 135 Ca 0.21 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3fgr h ILE 135 Cb 0.32 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3fgr h ILE 135 CO -0.00 0.14 0.02 0.22 0.00 0.00 0.00 178.15 178.53 3fgr h TYR 136 N 0.55 0.04 -0.50 1.37 3.20 -1.05 0.86 116.97 121.44 3fgr h TYR 136 Ca 0.15 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3fgr h TYR 136 Cb 0.02 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3fgr h TYR 136 CO -0.03 0.06 0.27 0.52 -1.64 0.00 0.00 178.16 177.34 3fgr h MET 137 N 0.01 0.70 -0.77 1.82 2.86 -1.26 -1.10 114.93 117.19 3fgr h MET 137 Ca 0.01 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3fgr h MET 137 Cb 0.03 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3fgr h MET 137 CO -0.00 0.54 0.36 1.25 1.06 0.00 0.00 176.91 180.12 3fgr h HIS 138 N 0.66 1.12 -0.31 -0.22 -0.00 -0.83 0.43 115.15 116.01 3fgr h HIS 138 Ca 0.18 -0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 3fgr h HIS 138 Cb 0.05 -0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 27.09 3fgr h HIS 138 CO -0.02 0.82 0.13 2.35 -0.00 0.00 0.00 177.93 181.22 3fgr h TRP 139 N 1.09 0.24 -0.75 5.26 2.91 -0.57 -1.48 115.95 122.65 3fgr h TRP 139 Ca 0.26 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.25 3fgr h TRP 139 Cb 0.13 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 3fgr h TRP 139 CO 0.01 0.12 0.28 0.52 -1.03 0.00 0.00 178.44 178.34 3fgr h MET 140 N 0.28 1.12 0.00 2.65 2.86 -0.81 -1.15 114.93 119.88 3fgr h MET 140 Ca 0.13 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 3fgr h MET 140 Cb 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3fgr h MET 140 CO -0.11 0.92 -0.36 -0.91 1.06 0.00 0.00 176.91 177.51 3fgr h ASN 141 N 1.09 0.00 0.00 1.22 2.35 -0.57 -3.40 115.58 116.26 3fgr h ASN 141 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3fgr h ASN 141 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3fgr h ASN 141 CO -0.02 0.36 -0.82 0.35 -1.65 0.00 0.00 177.43 175.65 3fgr n THR 142 N -3.61 0.00 -0.72 2.81 -2.24 -0.59 -4.94 114.28 105.00 3fgr n THR 142 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3fgr n THR 142 Cb 0.48 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3fgr n THR 142 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3fgr n VAL 143 N -2.10 0.00 -0.12 2.28 0.24 -0.61 -4.85 118.33 113.17 3fgr n VAL 143 Ca 0.00 -0.12 0.24 0.00 -2.04 0.00 0.00 64.34 62.42 3fgr n VAL 143 Cb 0.41 1.72 0.67 0.00 -1.47 0.00 0.00 33.84 35.17 3fgr n VAL 143 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3fgr h VAL 144 N 0.72 0.65 -0.01 3.34 3.04 -1.47 0.48 116.25 122.99 3fgr h VAL 144 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3fgr h VAL 144 Cb 0.36 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3fgr h VAL 144 CO 0.00 0.01 -0.33 0.59 -1.01 0.00 0.00 177.57 176.83 3fgr n ASN 145 N -4.35 1.23 -4.64 3.17 3.02 -1.26 -4.73 115.26 107.71 3fgr n ASN 145 Ca 0.15 -1.01 -0.43 0.00 -0.03 0.00 0.00 54.58 53.26 3fgr n ASN 145 Cb 0.78 0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 40.16 3fgr n ASN 145 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3fgr s TYR 146 N -2.52 2.59 -1.52 3.10 5.04 0.16 -2.78 117.35 121.42 3fgr s TYR 146 Ca 0.22 0.82 -0.13 0.00 -2.44 0.00 0.00 57.07 55.54 3fgr s TYR 146 Cb 0.19 -3.81 0.08 0.00 0.35 0.00 0.00 41.96 38.77 3fgr s TYR 146 CO 0.54 -2.03 0.98 0.00 -1.34 0.00 0.00 175.55 173.71 3fgr n GLY 148 N -1.70 -2.06 0.31 0.00 0.00 -1.12 -4.91 105.19 95.72 3fgr n GLY 148 Ca 0.03 -1.61 0.18 0.00 0.00 0.00 0.00 46.02 44.62 3fgr n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fgr h PRO 149 N 0.00 0.00 -0.42 1.61 0.13 -1.94 -2.64 132.00 128.73 3fgr h PRO 149 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3fgr h PRO 149 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3fgr h PRO 149 CO 0.28 0.01 0.00 1.19 -0.23 0.00 0.00 178.00 179.25 3fgr n PHE 150 N -3.49 0.89 -1.65 1.56 3.01 -1.26 -5.02 117.46 111.50 3fgr n PHE 150 Ca -0.03 -0.63 -0.56 0.00 1.01 0.00 0.00 57.45 57.24 3fgr n PHE 150 Cb 0.10 -0.16 -0.07 0.00 -0.01 0.00 0.00 39.48 39.34 3fgr n PHE 150 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3fgr n GLU 151 N 0.46 1.05 0.00 -1.08 0.28 -1.00 -4.91 120.64 115.44 3fgr n GLU 151 Ca 0.19 0.38 -0.14 0.00 -0.16 0.00 0.00 57.16 57.42 3fgr n GLU 151 Cb 0.69 -2.03 -0.03 0.00 1.43 0.00 0.00 31.44 31.49 3fgr n GLU 151 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3fgr h TYR 152 N 5.77 0.88 -0.11 -1.84 3.20 -1.95 -3.36 116.97 119.56 3fgr h TYR 152 Ca -0.47 -0.39 -0.68 0.00 3.14 0.00 0.00 58.73 60.33 3fgr h TYR 152 Cb 1.33 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 39.48 3fgr h TYR 152 CO 0.68 1.19 3.70 0.39 -1.64 0.00 0.00 178.16 182.48 3fgr n GLU 153 N -3.90 3.75 0.07 1.82 1.02 -1.26 -4.68 120.64 117.46 3fgr n GLU 153 Ca -0.06 -2.34 0.02 0.00 -0.02 0.00 0.00 57.16 54.76 3fgr n GLU 153 Cb 0.73 -2.81 0.37 0.00 -0.02 0.00 0.00 31.44 29.70 3fgr n GLU 153 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3fgr h VAL 154 N 3.02 1.17 0.36 2.62 -1.51 -1.99 -1.06 116.25 118.85 3fgr h VAL 154 Ca 0.85 -0.71 -0.00 0.00 -1.23 0.00 0.00 66.70 65.60 3fgr h VAL 154 Cb 0.30 1.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 3fgr h VAL 154 CO 1.77 0.23 -0.32 1.23 -1.23 0.00 0.00 177.57 179.26 3fgr h GLY 155 N 0.74 -0.75 0.94 5.19 0.00 -1.96 -1.03 103.07 106.20 3fgr h GLY 155 Ca 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 3fgr h GLY 155 CO 0.01 -0.28 0.16 -1.82 0.00 0.00 0.00 176.54 174.61 3fgr h TYR 156 N -0.69 0.55 -0.61 5.60 3.20 -1.73 -2.11 116.97 121.17 3fgr h TYR 156 Ca -0.03 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 3fgr h TYR 156 Cb 0.61 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3fgr h TYR 156 CO -0.17 0.49 0.27 0.00 -1.64 0.00 0.00 178.16 177.11 3fgr h GLU 158 N 0.86 0.76 -0.72 0.00 4.81 -1.01 -0.48 114.58 118.80 3fgr h GLU 158 Ca 0.21 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3fgr h GLU 158 Cb 0.12 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3fgr h GLU 158 CO -0.02 0.83 0.37 0.87 -0.73 0.00 0.00 179.01 180.32 3fgr h LYS 159 N 0.60 1.02 -0.09 1.92 1.57 -0.70 -0.60 116.57 120.29 3fgr h LYS 159 Ca 0.12 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3fgr h LYS 159 Cb 0.48 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3fgr h LYS 159 CO 0.02 0.78 0.03 1.25 -0.57 0.00 0.00 179.45 180.97 3fgr h LEU 160 N 1.00 0.13 -0.81 2.94 5.85 -0.53 -0.62 115.31 123.27 3fgr h LEU 160 Ca 0.25 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3fgr h LEU 160 Cb 0.08 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3fgr h LEU 160 CO -0.04 0.27 0.54 0.50 -0.34 0.00 0.00 178.44 179.38 3fgr h LYS 161 N -0.02 1.07 -0.68 1.25 3.64 -0.91 0.32 116.57 121.24 3fgr h LYS 161 Ca 0.03 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3fgr h LYS 161 Cb 0.19 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3fgr h LYS 161 CO -0.00 0.71 0.20 -0.91 -2.27 0.00 0.00 179.45 177.18 3fgr h ASN 162 N 1.10 1.00 0.12 4.20 2.35 -0.95 0.07 115.58 123.47 3fgr h ASN 162 Ca 0.30 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3fgr h ASN 162 Cb -0.13 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 37.98 3fgr h ASN 162 CO -0.06 0.95 -0.06 0.15 -1.65 0.00 0.00 177.43 176.76 3fgr h PHE 163 N 1.00 -0.15 -0.41 1.19 3.57 -0.58 -1.29 116.94 120.27 3fgr h PHE 163 Ca 0.22 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3fgr h PHE 163 Cb 0.32 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3fgr h PHE 163 CO 0.02 0.03 0.12 -0.07 -2.23 0.00 0.00 178.31 176.19 3fgr h LEU 164 N -0.31 0.61 -0.87 0.59 3.38 -0.83 -0.19 115.31 117.69 3fgr h LEU 164 Ca -0.02 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3fgr h LEU 164 Cb 0.25 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3fgr h LEU 164 CO 0.03 0.66 0.58 -0.33 0.09 0.00 0.00 178.44 179.46 3fgr h GLU 165 N 0.52 1.13 -0.41 1.13 5.08 -0.95 -0.19 114.58 120.90 3fgr h GLU 165 Ca 0.13 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3fgr h GLU 165 Cb 0.28 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3fgr h GLU 165 CO -0.00 0.75 -0.23 0.00 -1.00 0.00 0.00 179.01 178.53 3fgr h ALA 166 N 1.33 0.82 -0.36 3.43 0.00 -0.94 -0.74 119.26 122.80 3fgr h ALA 166 Ca 0.32 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3fgr h ALA 166 Cb -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3fgr h ALA 166 CO -0.08 0.64 -0.07 -0.97 0.00 0.00 0.00 179.25 178.78 3fgr h ASN 167 N 0.72 0.69 -0.61 0.00 -0.73 -0.65 0.28 115.58 115.27 3fgr h ASN 167 Ca 0.10 -0.35 -0.04 0.00 1.87 0.00 0.00 56.30 57.88 3fgr h ASN 167 Cb 0.76 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 39.14 3fgr h ASN 167 CO 0.06 0.88 0.24 -0.07 -0.37 0.00 0.00 177.43 178.17 3fgr h LEU 168 N 0.48 0.85 -0.60 0.34 3.38 -0.98 -1.50 115.31 117.27 3fgr h LEU 168 Ca 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3fgr h LEU 168 Cb 0.57 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3fgr h LEU 168 CO 0.03 0.79 0.22 -0.08 0.09 0.00 0.00 178.44 179.49 3fgr h GLU 169 N 0.85 0.92 -0.40 1.13 4.57 -0.95 -1.53 114.58 119.16 3fgr h GLU 169 Ca 0.20 -0.18 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3fgr h GLU 169 Cb 0.21 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3fgr h GLU 169 CO -0.02 0.80 0.23 2.35 -1.18 0.00 0.00 179.01 181.20 3fgr h TRP 170 N 0.85 0.44 -0.64 0.92 7.01 -0.69 0.31 115.95 124.15 3fgr h TRP 170 Ca 0.20 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.22 3fgr h TRP 170 Cb 0.24 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 3fgr h TRP 170 CO 0.01 0.25 0.41 0.52 -2.79 0.00 0.00 178.44 176.85 3fgr h MET 171 N 0.48 0.84 -0.76 2.65 2.86 -1.02 -0.36 114.93 119.61 3fgr h MET 171 Ca 0.16 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3fgr h MET 171 Cb 0.01 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 3fgr h MET 171 CO -0.08 0.57 0.50 1.96 1.06 0.00 0.00 176.91 180.93 3fgr h GLN 172 N 0.86 1.00 -0.46 1.72 1.08 -0.77 -1.08 115.11 117.45 3fgr h GLN 172 Ca 0.23 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 3fgr h GLN 172 Cb -0.08 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.10 3fgr h GLN 172 CO -0.05 0.66 0.21 -0.09 -0.95 0.00 0.00 178.83 178.61 3fgr h ARG 173 N 1.03 0.68 -0.77 1.46 9.65 -0.56 -1.79 114.38 124.07 3fgr h ARG 173 Ca 0.28 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3fgr h ARG 173 Cb -0.12 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.31 3fgr h ARG 173 CO -0.06 0.59 0.50 0.93 2.80 0.00 0.00 179.97 184.73 3fgr h GLU 174 N 0.61 1.03 -0.45 0.20 4.39 -0.65 0.23 114.58 119.93 3fgr h GLU 174 Ca 0.16 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 3fgr h GLU 174 Cb 0.15 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3fgr h GLU 174 CO -0.02 0.69 0.03 0.52 -1.16 0.00 0.00 179.01 179.08 3fgr h MET 175 N 1.05 0.78 -0.68 2.33 2.86 -0.87 -1.25 114.93 119.16 3fgr h MET 175 Ca 0.28 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3fgr h MET 175 Cb -0.10 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 3fgr h MET 175 CO -0.06 0.82 0.27 0.93 1.06 0.00 0.00 176.91 179.93 3fgr h GLU 176 N 0.63 1.01 0.00 1.72 5.08 -0.78 -2.64 114.58 119.60 3fgr h GLU 176 Ca 0.13 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fgr h GLU 176 Cb 0.45 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3fgr h GLU 176 CO 0.02 0.84 0.00 1.28 -1.00 0.00 0.00 179.01 180.15 3fgr n LEU 177 N -4.39 0.24 -3.12 1.33 4.77 0.02 -4.20 117.00 111.64 3fgr n LEU 177 Ca 0.05 0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 56.40 3fgr n LEU 177 Cb 0.17 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 3fgr n LEU 177 CO 0.40 -0.21 -0.21 0.59 -1.33 0.00 0.00 177.39 176.63 3fgr n ASN 178 N -1.75 1.02 0.19 -1.43 3.02 -0.49 -4.94 115.26 110.89 3fgr n ASN 178 Ca 0.05 -3.00 0.14 0.00 -0.03 0.00 0.00 54.58 51.74 3fgr n ASN 178 Cb 0.28 -0.61 0.63 0.00 -0.61 0.00 0.00 39.78 39.47 3fgr n ASN 178 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3fgr h PRO 179 N 3.00 0.00 -0.38 3.52 0.13 -1.71 -2.21 132.00 134.34 3fgr h PRO 179 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3fgr h PRO 179 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3fgr h PRO 179 CO 0.51 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 3fgr n ASP 180 N -2.49 3.46 -4.68 1.44 8.00 -1.26 -4.96 116.55 116.06 3fgr n ASP 180 Ca 0.00 -1.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.08 3fgr n ASP 180 Cb 0.18 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 3fgr n ASP 180 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3fgr s SER 181 N -1.51 7.19 0.24 -2.24 0.15 -0.83 -4.95 113.70 111.75 3fgr s SER 181 Ca 0.39 1.53 -0.07 0.00 0.70 0.00 0.00 55.95 58.50 3fgr s SER 181 Cb 0.23 -2.55 0.22 0.00 -1.71 0.00 0.00 66.02 62.21 3fgr s SER 181 CO 0.32 -0.52 1.87 -0.65 1.20 0.00 0.00 173.24 175.46 3fgr h PRO 182 N 7.24 1.28 0.30 5.44 0.11 -1.93 -0.89 132.00 143.55 3fgr h PRO 182 Ca -0.28 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3fgr h PRO 182 Cb 1.13 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3fgr h PRO 182 CO 0.89 0.91 -0.20 -0.92 -0.21 0.00 0.00 178.00 178.47 3fgr h TYR 183 N 1.30 -0.51 0.00 0.65 3.20 -1.97 -1.24 116.97 118.39 3fgr h TYR 183 Ca 0.33 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.14 3fgr h TYR 183 Cb -0.02 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3fgr h TYR 183 CO 0.01 -0.30 -0.26 -1.49 -1.64 0.00 0.00 178.16 174.47 3fgr h TRP 184 N -0.48 0.00 -0.63 -3.82 4.06 -1.87 -1.99 115.95 111.22 3fgr h TRP 184 Ca -0.03 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3fgr h TRP 184 Cb 0.41 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 3fgr h TRP 184 CO -0.10 0.26 0.35 1.25 -3.56 0.00 0.00 178.44 176.64 3fgr h HIS 185 N 0.00 0.85 -0.29 0.49 2.76 -0.66 -0.91 115.15 117.39 3fgr h HIS 185 Ca -0.00 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.04 3fgr h HIS 185 Cb 0.70 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3fgr h HIS 185 CO 0.00 0.60 -0.29 1.96 -1.30 0.00 0.00 177.93 178.91 3fgr h GLN 186 N 0.85 0.60 -0.44 5.26 1.08 -0.58 -1.08 115.11 120.79 3fgr h GLN 186 Ca 0.22 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 3fgr h GLN 186 Cb 0.02 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3fgr h GLN 186 CO -0.04 0.82 0.07 0.28 -0.95 0.00 0.00 178.83 179.01 3fgr h VAL 187 N 0.52 1.25 -0.66 -0.54 2.07 -1.18 -2.33 116.25 115.37 3fgr h VAL 187 Ca 0.07 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3fgr h VAL 187 Cb 0.76 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3fgr h VAL 187 CO 0.06 0.31 0.36 -0.09 0.02 0.00 0.00 177.57 178.24 3fgr h ARG 188 N 0.59 0.93 -0.98 1.57 2.43 -0.77 -1.17 114.38 116.98 3fgr h ARG 188 Ca 0.13 -0.11 0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3fgr h ARG 188 Cb 0.39 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 3fgr h ARG 188 CO 0.01 0.70 0.62 -0.07 -1.51 0.00 0.00 179.97 179.72 3fgr h LEU 189 N 0.91 0.98 -0.20 3.80 3.38 -1.03 0.87 115.31 124.02 3fgr h LEU 189 Ca 0.23 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3fgr h LEU 189 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3fgr h LEU 189 CO -0.04 0.60 0.04 0.74 0.09 0.00 0.00 178.44 179.88 3fgr h THR 190 N 1.10 1.21 -0.03 0.22 2.02 -0.81 -2.01 112.91 114.62 3fgr h THR 190 Ca 0.44 -0.68 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 3fgr h THR 190 Cb 0.23 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3fgr h THR 190 CO -0.19 0.21 -0.54 -0.07 0.37 0.00 0.00 175.52 175.30 3fgr h LEU 191 N 0.14 0.08 -0.78 2.58 3.38 -0.88 -2.15 115.31 117.68 3fgr h LEU 191 Ca 0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3fgr h LEU 191 Cb 0.28 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3fgr h LEU 191 CO 0.00 0.60 0.35 -0.07 0.09 0.00 0.00 178.44 179.41 3fgr h LEU 192 N 0.06 1.04 -0.56 1.67 3.38 -0.65 -0.46 115.31 119.79 3fgr h LEU 192 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3fgr h LEU 192 Cb 0.97 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3fgr h LEU 192 CO 0.07 0.90 0.26 -0.61 0.09 0.00 0.00 178.44 179.16 3fgr h GLN 193 N 1.11 0.81 -0.41 1.13 4.15 -1.01 0.05 115.11 120.94 3fgr h GLN 193 Ca 0.26 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 3fgr h GLN 193 Cb 0.16 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3fgr h GLN 193 CO -0.03 0.67 0.25 1.25 -1.93 0.00 0.00 178.83 179.04 3fgr h LEU 194 N 0.76 0.48 -0.72 -2.39 5.85 -1.19 -0.92 115.31 117.17 3fgr h LEU 194 Ca 0.19 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3fgr h LEU 194 Cb 0.13 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3fgr h LEU 194 CO -0.02 0.38 0.46 0.50 -0.34 0.00 0.00 178.44 179.42 3fgr h LYS 195 N 0.54 0.88 -0.46 1.25 1.63 -0.63 -1.90 116.57 117.87 3fgr h LYS 195 Ca 0.15 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.80 3fgr h LYS 195 Cb -0.02 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 3fgr h LYS 195 CO -0.03 0.58 -0.10 0.78 -3.45 0.00 0.00 179.45 177.23 3fgr h GLY 196 N 0.91 0.89 0.91 5.01 0.00 -0.76 0.48 103.07 110.51 3fgr h GLY 196 Ca 0.28 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.94 3fgr h GLY 196 CO -0.10 0.62 -0.02 -2.00 0.00 0.00 0.00 176.54 175.04 3fgr h LEU 197 N 0.75 -0.07 -0.25 3.11 5.85 -0.81 -0.99 115.31 122.90 3fgr h LEU 197 Ca 0.13 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3fgr h LEU 197 Cb 0.60 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3fgr h LEU 197 CO 0.04 -0.03 -0.08 -0.08 -0.34 0.00 0.00 178.44 177.94 3fgr h GLU 198 N -0.03 0.50 -0.49 1.25 4.81 -1.18 -1.71 114.58 117.74 3fgr h GLU 198 Ca 0.02 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3fgr h GLU 198 Cb 0.05 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3fgr h GLU 198 CO -0.04 0.74 0.30 -0.44 -0.73 0.00 0.00 179.01 178.84 3fgr h ASP 199 N 0.24 0.51 -0.64 1.04 3.32 -0.85 -0.85 116.42 119.18 3fgr h ASP 199 Ca 0.06 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3fgr h ASP 199 Cb 0.56 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3fgr h ASP 199 CO 0.03 0.36 0.17 -1.28 -1.72 0.00 0.00 179.24 176.80 3fgr h SER 200 N 0.61 0.96 -0.59 6.45 0.87 -1.16 -0.23 113.55 120.46 3fgr h SER 200 Ca 0.19 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 3fgr h SER 200 Cb -0.02 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 3fgr h SER 200 CO -0.07 0.94 0.31 0.22 -0.53 0.00 0.00 176.83 177.70 3fgr h TYR 201 N 0.94 0.85 -0.00 2.24 3.20 -0.89 -1.76 116.97 121.55 3fgr h TYR 201 Ca 0.20 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3fgr h TYR 201 Cb 0.35 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3fgr h TYR 201 CO 0.03 0.61 -0.13 0.39 -1.64 0.00 0.00 178.16 177.42 3fgr n GLU 202 N -4.36 0.33 -1.29 1.82 1.02 -0.36 -4.94 120.64 112.85 3fgr n GLU 202 Ca 0.06 -0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 57.09 3fgr n GLU 202 Cb 0.12 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3fgr n GLU 202 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fgr n GLY 203 N 1.38 0.44 2.71 0.62 0.00 -0.19 -5.03 105.19 105.12 3fgr n GLY 203 Ca 0.11 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 3fgr n GLY 203 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fgr s ARG 204 N -2.61 0.20 0.01 1.61 0.52 -0.62 -5.02 118.95 113.04 3fgr s ARG 204 Ca 0.00 0.02 -0.25 0.00 -0.52 0.00 0.00 55.73 54.98 3fgr s ARG 204 Cb 0.00 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.25 3fgr s ARG 204 CO 0.00 -0.77 0.76 -0.51 0.02 0.00 0.00 175.30 174.80 3fgr s LEU 205 N 2.29 4.41 -0.30 2.53 1.02 -1.26 -4.60 118.68 122.76 3fgr s LEU 205 Ca 0.07 1.39 0.01 0.00 0.02 0.00 0.00 54.13 55.62 3fgr s LEU 205 Cb -0.15 -3.21 0.15 0.00 0.02 0.00 0.00 46.19 42.99 3fgr s LEU 205 CO -0.19 -0.04 0.35 0.28 0.02 0.00 0.00 176.35 176.77 3fgr s THR 206 N 0.25 -0.48 -0.17 5.49 -1.32 -1.26 -5.01 115.64 113.14 3fgr s THR 206 Ca 0.39 -0.48 -0.29 0.00 -1.21 0.00 0.00 61.69 60.10 3fgr s THR 206 Cb -0.20 -0.94 -0.01 0.00 -1.51 0.00 0.00 72.50 69.84 3fgr s THR 206 CO 0.22 -0.42 1.18 0.12 -2.21 0.00 0.00 174.62 173.51 3fgr s PHE 207 N 2.30 3.05 0.06 9.09 5.36 -1.26 -5.01 117.98 131.57 3fgr s PHE 207 Ca 0.10 1.19 -0.22 0.00 -0.96 0.00 0.00 56.93 57.04 3fgr s PHE 207 Cb -0.13 -3.41 -0.06 0.00 -0.34 0.00 0.00 43.02 39.07 3fgr s PHE 207 CO -0.28 -1.25 0.66 -1.25 -1.46 0.00 0.00 175.22 171.64 3fgr s PRO 208 N 3.23 4.37 0.00 10.12 0.04 -1.26 -4.95 135.00 146.56 3fgr s PRO 208 Ca 0.51 0.89 0.22 0.00 0.04 0.00 0.00 61.00 62.66 3fgr s PRO 208 Cb -0.20 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 30.93 3fgr s PRO 208 CO 0.13 0.46 1.00 0.25 0.04 0.00 0.00 177.00 178.88 3fgr n THR 209 N 2.26 0.00 0.00 1.26 -2.24 -1.26 -4.97 114.28 109.33 3fgr n THR 209 Ca -0.07 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3fgr n THR 209 Cb 0.50 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 3fgr n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgr n GLY 210 N 1.47 5.04 3.79 3.38 0.00 -1.26 -5.13 105.19 112.48 3fgr n GLY 210 Ca 0.06 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 3fgr n GLY 210 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fgr s ARG 211 N 4.38 3.03 0.08 1.61 1.70 -1.26 -5.05 118.95 123.43 3fgr s ARG 211 Ca 0.00 1.27 -0.12 0.00 -0.47 0.00 0.00 55.73 56.42 3fgr s ARG 211 Cb 0.00 -1.99 0.01 0.00 -0.57 0.00 0.00 34.95 32.40 3fgr s ARG 211 CO 0.00 -1.05 0.26 -0.59 -1.08 0.00 0.00 175.30 172.84 3fgr s PHE 212 N -2.45 -0.00 -0.27 5.89 -0.12 -1.26 -4.97 117.98 114.80 3fgr s PHE 212 Ca 0.65 -0.30 -0.05 0.00 -0.05 0.00 0.00 56.93 57.18 3fgr s PHE 212 Cb -0.18 0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3fgr s PHE 212 CO 0.40 -0.55 0.02 0.99 -0.05 0.00 0.00 175.22 176.04 3fgr s THR 213 N -3.34 3.54 -0.00 -4.49 2.01 -1.26 -4.98 115.64 107.11 3fgr s THR 213 Ca 0.01 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 3fgr s THR 213 Cb 0.02 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 3fgr s THR 213 CO -0.08 0.14 0.71 -0.63 -0.69 0.00 0.00 174.62 174.08 3fgr s ILE 214 N 1.43 4.88 0.13 1.82 -1.09 -1.26 -5.03 121.20 122.08 3fgr s ILE 214 Ca 0.02 1.50 -0.31 0.00 -2.23 0.00 0.00 60.65 59.63 3fgr s ILE 214 Cb -0.17 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.57 3fgr s ILE 214 CO -0.00 0.33 1.44 -0.54 -1.23 0.00 0.00 174.94 174.94 3fgr s LYS 215 N 0.23 4.29 0.40 2.79 1.02 -1.26 -4.92 119.74 122.29 3fgr s LYS 215 Ca 0.37 2.16 0.10 0.00 0.02 0.00 0.00 55.97 58.62 3fgr s LYS 215 Cb -0.19 -3.22 0.84 0.00 -0.52 0.00 0.00 37.83 34.74 3fgr s LYS 215 CO 0.20 -0.49 1.96 -1.00 -0.92 0.00 0.00 175.35 175.10 3fgr h PRO 216 N 6.80 0.26 -0.14 -1.68 0.13 -1.93 -3.11 132.00 132.33 3fgr h PRO 216 Ca -0.42 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 3fgr h PRO 216 Cb 1.21 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 3fgr h PRO 216 CO 0.88 0.34 -0.15 1.28 -0.23 0.00 0.00 178.00 180.11 3fgr n LEU 217 N -4.33 3.19 0.00 1.56 4.77 -1.26 -4.41 117.00 116.52 3fgr n LEU 217 Ca -0.00 -3.47 0.00 0.00 -0.03 0.00 0.00 56.01 52.50 3fgr n LEU 217 Cb 0.22 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3fgr n LEU 217 CO 0.37 1.03 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 3fgr n GLY 218 N -1.10 1.26 0.17 -0.72 0.00 -1.17 -4.74 105.19 98.88 3fgr n GLY 218 Ca 0.22 -1.23 0.12 0.00 0.00 0.00 0.00 46.02 45.13 3fgr n GLY 218 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fgr h PHE 219 N 0.00 0.00 -0.94 1.61 -1.00 -1.93 -0.28 116.94 114.40 3fgr h PHE 219 Ca 0.00 0.00 0.21 0.00 2.81 0.00 0.00 57.97 60.99 3fgr h PHE 219 Cb 0.00 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.48 3fgr h PHE 219 CO 0.00 0.00 0.61 1.25 -1.61 0.00 0.00 178.31 178.56 3fgr h LEU 220 N 0.00 0.48 -1.70 1.54 5.85 -1.85 -1.63 115.31 118.01 3fgr h LEU 220 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3fgr h LEU 220 Cb 0.11 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3fgr h LEU 220 CO 0.00 0.18 0.18 -0.07 -0.34 0.00 0.00 178.44 178.39 3fgr h LEU 221 N 0.48 0.33 -1.75 2.25 3.38 -1.25 0.50 115.31 119.25 3fgr h LEU 221 Ca 0.50 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 3fgr h LEU 221 Cb 1.15 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3fgr h LEU 221 CO -0.22 0.25 -0.03 -0.07 0.09 0.00 0.00 178.44 178.46 3fgr h LEU 222 N 0.39 0.00 0.00 1.67 3.38 -1.47 -3.14 115.31 116.15 3fgr h LEU 222 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3fgr h LEU 222 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3fgr h LEU 222 CO -0.02 0.03 -1.61 0.00 0.09 0.00 0.00 178.44 176.93 3fgr n GLN 223 N -3.15 0.63 -0.76 1.13 1.13 0.11 -4.46 117.38 112.02 3fgr n GLN 223 Ca -0.00 0.12 0.08 0.00 -1.94 0.00 0.00 57.00 55.26 3fgr n GLN 223 Cb 0.27 -1.73 0.37 0.00 0.11 0.00 0.00 30.24 29.26 3fgr n GLN 223 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3fgr n ILE 224 N -2.76 2.44 -0.33 5.09 -5.35 -0.87 -4.55 119.36 113.02 3fgr n ILE 224 Ca -0.12 -1.41 0.04 0.00 -0.27 0.00 0.00 62.75 61.00 3fgr n ILE 224 Cb 0.83 -0.15 0.18 0.00 -1.74 0.00 0.00 39.64 38.76 3fgr n ILE 224 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3fgr h SER 225 N 3.73 0.86 -0.20 7.28 0.02 -1.78 0.25 113.55 123.71 3fgr h SER 225 Ca 0.00 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 3fgr h SER 225 Cb 1.76 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.16 3fgr h SER 225 CO 0.38 0.51 -0.46 1.23 -1.14 0.00 0.00 176.83 177.35 3fgr h GLY 226 N 0.97 0.73 1.54 -3.77 0.00 -1.95 -3.05 103.07 97.54 3fgr h GLY 226 Ca 0.43 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3fgr h GLY 226 CO -0.22 0.80 0.19 -0.55 0.00 0.00 0.00 176.54 176.76 3fgr h ASP 227 N 0.36 0.54 0.41 0.19 3.32 -1.67 -2.38 116.42 117.19 3fgr h ASP 227 Ca -0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3fgr h ASP 227 Cb 1.07 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 3fgr h ASP 227 CO 0.10 0.48 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.89 3fgr h LEU 228 N 0.61 0.00 -1.86 1.55 3.38 -0.42 -0.91 115.31 117.65 3fgr h LEU 228 Ca 0.15 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.21 3fgr h LEU 228 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3fgr h LEU 228 CO -0.02 0.14 0.29 -0.33 0.09 0.00 0.00 178.44 178.62 3fgr h GLU 229 N 0.00 0.15 0.00 1.13 5.08 -1.40 -1.06 114.58 118.48 3fgr h GLU 229 Ca -0.00 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.99 3fgr h GLU 229 Cb 0.39 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 3fgr h GLU 229 CO 0.02 0.10 -2.35 -0.25 -1.00 0.00 0.00 179.01 175.53 3fgr n ASP 230 N -4.45 0.90 -0.24 1.42 8.00 -0.84 -4.42 116.55 116.92 3fgr n ASP 230 Ca 0.06 -0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 3fgr n ASP 230 Cb 0.38 0.49 0.19 0.00 -0.02 0.00 0.00 41.12 42.17 3fgr n ASP 230 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fgr h LEU 231 N 0.00 0.93 0.22 0.64 3.38 -0.92 -1.48 115.31 118.08 3fgr h LEU 231 Ca -0.53 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3fgr h LEU 231 Cb 2.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 3fgr h LEU 231 CO -0.01 0.72 -0.39 -0.33 0.09 0.00 0.00 178.44 178.52 3fgr h GLU 232 N 1.06 -0.63 -0.11 1.13 5.08 -1.41 -0.12 114.58 119.59 3fgr h GLU 232 Ca 0.28 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3fgr h GLU 232 Cb -0.03 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3fgr h GLU 232 CO -0.05 -0.42 -0.13 -1.00 -1.00 0.00 0.00 179.01 176.42 3fgr h PRO 233 N -0.65 0.17 0.00 2.33 0.13 -1.76 -0.37 132.00 131.85 3fgr h PRO 233 Ca -0.02 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 3fgr h PRO 233 Cb 0.61 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3fgr h PRO 233 CO -0.14 0.31 -0.28 0.00 -0.23 0.00 0.00 178.00 177.65 3fgr h ALA 234 N 1.71 1.41 -0.62 -0.56 0.00 -1.03 -1.56 119.26 118.60 3fgr h ALA 234 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3fgr h ALA 234 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fgr h ALA 234 CO 0.02 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.90 3fgr n LEU 235 N -4.01 4.90 -3.47 0.00 4.77 -0.08 -4.96 117.00 114.15 3fgr n LEU 235 Ca -0.02 -2.56 -0.23 0.00 -0.03 0.00 0.00 56.01 53.17 3fgr n LEU 235 Cb 0.34 -0.59 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3fgr n LEU 235 CO 0.36 0.77 0.22 0.59 -1.33 0.00 0.00 177.39 178.01 3fgr n ASN 236 N 0.95 -6.28 -4.77 -1.43 3.02 -0.59 -4.88 115.26 101.28 3fgr n ASN 236 Ca 0.26 -0.50 -0.38 0.00 -0.03 0.00 0.00 54.58 53.93 3fgr n ASN 236 Cb 0.95 -4.93 -0.01 0.00 -0.61 0.00 0.00 39.78 35.18 3fgr n ASN 236 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3fgr s LYS 237 N -6.23 3.82 -0.80 3.52 2.20 -0.21 -4.99 119.74 117.05 3fgr s LYS 237 Ca 0.55 1.90 0.02 0.00 -0.36 0.00 0.00 55.97 58.08 3fgr s LYS 237 Cb -0.24 -2.53 0.32 0.00 -1.51 0.00 0.00 37.83 33.87 3fgr s LYS 237 CO 0.68 -0.53 1.29 0.25 -0.36 0.00 0.00 175.35 176.68 3fgr n THR 238 N -0.28 4.32 0.00 3.43 -2.24 -1.26 -4.74 114.28 113.51 3fgr n THR 238 Ca 0.06 -5.72 0.00 0.00 -2.27 0.00 0.00 64.05 56.12 3fgr n THR 238 Cb 0.47 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 3fgr n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgr n GLY 245 N 0.13 -0.10 3.76 3.38 0.00 -1.26 -5.09 105.19 106.01 3fgr n GLY 245 Ca 0.36 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3fgr n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fgr s SER 246 N -4.00 7.32 0.00 1.61 0.15 -1.26 -4.87 113.70 112.64 3fgr s SER 246 Ca 0.00 2.22 0.00 0.00 0.70 0.00 0.00 55.95 58.87 3fgr s SER 246 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3fgr s SER 246 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 3fgr n GLY 247 N 1.27 0.64 0.00 9.45 0.00 -1.26 -5.08 105.19 110.22 3fgr n GLY 247 Ca -0.01 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3fgr n GLY 247 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76