#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fer s PHE 2 N 0.00 3.49 -0.03 0.00 0.40 -1.26 -1.61 117.98 118.97 1fer s PHE 2 Ca 0.00 0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.74 1fer s PHE 2 Cb 0.00 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1fer s PHE 2 CO 0.00 0.21 -0.11 0.08 0.70 0.00 0.00 175.22 176.10 1fer s VAL 3 N -2.15 0.95 -0.06 -0.44 1.01 0.17 -4.72 120.40 115.16 1fer s VAL 3 Ca 0.40 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 1fer s VAL 3 Cb -0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1fer s VAL 3 CO 0.33 0.29 0.52 -0.69 0.00 0.00 0.00 175.10 175.55 1fer s VAL 4 N 0.17 5.06 0.00 2.92 1.01 -1.26 -1.53 120.40 126.77 1fer s VAL 4 Ca -0.04 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1fer s VAL 4 Cb -0.09 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1fer s VAL 4 CO 0.01 0.39 0.00 0.35 0.00 0.00 0.00 175.10 175.85 1fer n THR 5 N 3.09 0.00 -0.32 3.92 -2.24 -0.14 -4.87 114.28 113.71 1fer n THR 5 Ca -0.08 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.90 1fer n THR 5 Cb 0.51 -0.10 0.39 0.00 -2.10 0.00 0.00 70.33 69.03 1fer n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1fer h ASP 6 N 0.00 -0.00 0.85 3.42 3.58 -1.94 -2.17 116.42 120.16 1fer h ASP 6 Ca 0.00 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1fer h ASP 6 Cb 0.00 0.32 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1fer h ASP 6 CO 0.00 -0.29 0.00 -3.20 -2.88 0.00 0.00 179.24 172.87 1fer n ASN 7 N -5.29 0.17 0.04 2.28 5.15 -1.26 -1.61 115.26 114.73 1fer n ASN 7 Ca 0.28 0.53 -0.00 0.00 -0.60 0.00 0.00 54.58 54.78 1fer n ASN 7 Cb 0.90 -0.57 0.30 0.00 -0.53 0.00 0.00 39.78 39.89 1fer n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fer n ILE 9 N -4.24 0.31 -0.91 0.00 5.41 -0.63 -1.28 119.36 118.01 1fer n ILE 9 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1fer n ILE 9 Cb 0.29 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 1fer n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1fer n LYS 10 N 5.12 -0.50 -0.01 0.38 5.02 -0.51 -4.80 118.16 122.86 1fer n LYS 10 Ca 0.20 0.12 -0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1fer n LYS 10 Cb 0.29 -3.66 -0.01 0.00 -0.02 0.00 0.00 35.03 31.64 1fer n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fer n LYS 12 N -3.35 -1.00 0.22 0.00 4.81 -0.58 -1.05 118.16 117.21 1fer n LYS 12 Ca -0.04 0.41 0.08 0.00 -0.87 0.00 0.00 58.31 57.89 1fer n LYS 12 Cb 0.16 -3.71 0.50 0.00 0.02 0.00 0.00 35.03 32.00 1fer n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1fer h TYR 13 N -1.95 0.00 -2.14 5.64 0.05 -1.91 -3.25 116.97 113.41 1fer h TYR 13 Ca -0.66 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 57.78 1fer h TYR 13 Cb 1.36 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.02 1fer h TYR 13 CO 0.33 0.26 -0.36 0.25 -1.05 0.00 0.00 178.16 177.59 1fer n THR 14 N -3.68 -0.34 -0.04 -2.88 -2.24 -1.26 -4.08 114.28 99.76 1fer n THR 14 Ca -0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 1fer n THR 14 Cb 0.37 -1.92 0.17 0.00 -2.10 0.00 0.00 70.33 66.84 1fer n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1fer h ASP 15 N 0.00 0.62 -0.89 3.42 5.19 -1.90 -3.03 116.42 119.83 1fer h ASP 15 Ca -0.36 -0.20 0.14 0.00 -0.62 0.00 0.00 57.03 55.99 1fer h ASP 15 Cb 1.18 -0.17 -0.07 0.00 0.18 0.00 0.00 39.33 40.45 1fer h ASP 15 CO 0.49 0.81 0.58 0.00 -3.12 0.00 0.00 179.24 177.99 1fer h VAL 17 N 0.71 0.98 0.00 0.00 -1.51 -1.92 -2.97 116.25 111.55 1fer h VAL 17 Ca 0.45 -1.19 -0.04 0.00 -1.23 0.00 0.00 66.70 64.69 1fer h VAL 17 Cb 0.69 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1fer h VAL 17 CO -0.21 0.31 -0.20 -0.33 -1.23 0.00 0.00 177.57 175.92 1fer h GLU 18 N 0.00 0.00 0.00 5.19 4.39 -1.62 -3.01 114.58 119.53 1fer h GLU 18 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1fer h GLU 18 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1fer h GLU 18 CO 0.04 0.20 -0.93 1.33 -1.16 0.00 0.00 179.01 178.48 1fer n VAL 19 N -3.59 0.12 -1.88 3.13 0.24 -1.12 -4.92 118.33 110.30 1fer n VAL 19 Ca -0.01 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1fer n VAL 19 Cb 0.33 0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 1fer n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fer h PRO 21 N 9.22 0.19 -0.02 0.00 0.13 -1.91 -3.32 132.00 136.29 1fer h PRO 21 Ca -0.43 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1fer h PRO 21 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1fer h PRO 21 CO 0.94 0.70 0.00 1.33 -0.23 0.00 0.00 178.00 180.74 1fer n VAL 22 N -3.90 0.00 -3.43 1.56 0.24 -1.26 -5.02 118.33 106.53 1fer n VAL 22 Ca -0.02 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.57 1fer n VAL 22 Cb 0.58 1.35 0.06 0.00 -1.47 0.00 0.00 33.84 34.37 1fer n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1fer n ASP 23 N 0.95 -5.40 -1.68 -1.34 8.00 -1.25 -4.93 116.55 110.90 1fer n ASP 23 Ca 0.10 -0.80 -0.16 0.00 0.71 0.00 0.00 54.79 54.64 1fer n ASP 23 Cb 0.42 -4.59 0.15 0.00 -0.02 0.00 0.00 41.12 37.09 1fer n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fer s PHE 25 N -3.40 3.35 0.06 0.00 0.40 -1.26 -0.41 117.98 116.72 1fer s PHE 25 Ca 0.51 0.32 0.08 0.00 -0.60 0.00 0.00 56.93 57.24 1fer s PHE 25 Cb 0.44 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1fer s PHE 25 CO 0.02 0.54 -0.22 0.71 0.70 0.00 0.00 175.22 176.97 1fer s TYR 26 N -0.77 1.90 -0.16 0.36 1.51 0.08 -2.12 117.35 118.16 1fer s TYR 26 Ca 0.13 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1fer s TYR 26 Cb -0.12 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1fer s TYR 26 CO 0.03 0.13 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.55 1fer s GLU 27 N -1.35 3.63 0.44 -0.62 2.12 0.78 -1.40 118.70 122.30 1fer s GLU 27 Ca 0.08 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 54.93 1fer s GLU 27 Cb -0.09 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.33 1fer s GLU 27 CO 0.02 0.19 0.10 0.20 -0.54 0.00 0.00 175.26 175.23 1fer s GLY 28 N 0.51 2.54 0.38 -1.50 0.00 -0.34 -3.97 107.32 104.94 1fer s GLY 28 Ca -0.03 -1.80 0.18 0.00 0.00 0.00 0.00 44.72 43.07 1fer s GLY 28 CO 0.03 -2.04 1.71 -2.55 0.00 0.00 0.00 173.10 170.24 1fer h PRO 29 N 1.49 0.34 0.00 2.90 0.11 -1.87 -3.29 132.00 131.69 1fer h PRO 29 Ca -0.43 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1fer h PRO 29 Cb 1.26 -0.08 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 1fer h PRO 29 CO 0.74 0.23 -0.62 0.27 -0.21 0.00 0.00 178.00 178.41 1fer n ASN 30 N -4.79 0.11 -3.48 -2.05 6.94 -1.26 -5.04 115.26 105.69 1fer n ASN 30 Ca 0.29 -1.90 -0.11 0.00 -0.02 0.00 0.00 54.58 52.84 1fer n ASN 30 Cb 0.98 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 38.32 1fer n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1fer s PHE 31 N 0.00 -0.46 0.16 -2.53 5.36 -1.24 -1.43 117.98 117.84 1fer s PHE 31 Ca 0.15 0.39 0.10 0.00 -0.96 0.00 0.00 56.93 56.60 1fer s PHE 31 Cb 0.17 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.34 1fer s PHE 31 CO -0.07 -0.66 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.29 1fer s LEU 32 N -2.36 2.41 0.13 6.12 1.02 -1.26 -1.20 118.68 123.54 1fer s LEU 32 Ca 0.01 -0.83 0.05 0.00 0.02 0.00 0.00 54.13 53.39 1fer s LEU 32 Cb -0.01 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 1fer s LEU 32 CO -0.08 0.06 -0.13 0.68 0.02 0.00 0.00 176.35 176.91 1fer s VAL 33 N -1.68 1.27 -0.14 -1.59 -7.23 -0.49 -4.72 120.40 105.81 1fer s VAL 33 Ca 0.16 -1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1fer s VAL 33 Cb -0.08 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1fer s VAL 33 CO 0.08 -0.53 0.03 -0.63 -0.31 0.00 0.00 175.10 173.74 1fer s ILE 34 N -2.51 4.54 -0.30 -0.62 1.01 -1.26 -0.74 121.20 121.32 1fer s ILE 34 Ca 0.11 -0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 1fer s ILE 34 Cb -0.03 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.46 1fer s ILE 34 CO 0.02 0.52 1.03 -2.28 0.00 0.00 0.00 174.94 174.23 1fer s HIS 35 N -0.10 3.19 0.46 3.97 5.65 0.45 -4.44 115.29 124.46 1fer s HIS 35 Ca 0.05 1.18 0.13 0.00 0.25 0.00 0.00 55.06 56.68 1fer s HIS 35 Cb -0.12 -3.56 1.04 0.00 -1.18 0.00 0.00 32.58 28.76 1fer s HIS 35 CO 0.02 -0.69 2.04 -1.00 -0.65 0.00 0.00 174.74 174.45 1fer h PRO 36 N 8.00 0.10 0.00 2.88 0.13 -1.90 -2.37 132.00 138.85 1fer h PRO 36 Ca -0.21 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1fer h PRO 36 Cb 1.07 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1fer h PRO 36 CO 1.00 0.17 0.00 -0.44 -0.23 0.00 0.00 178.00 178.51 1fer h ASP 37 N 0.10 0.00 0.34 1.44 3.32 -1.99 -3.31 116.42 116.32 1fer h ASP 37 Ca 0.02 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.86 1fer h ASP 37 Cb 0.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1fer h ASP 37 CO 0.01 0.00 -1.85 -0.62 -1.72 0.00 0.00 179.24 175.06 1fer n GLU 38 N -3.09 0.65 -2.06 3.56 1.02 -0.93 -4.93 120.64 114.86 1fer n GLU 38 Ca 0.04 0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.85 1fer n GLU 38 Cb 0.52 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 1fer n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fer n ILE 40 N 1.53 2.30 -3.13 0.00 -5.35 -1.26 -4.77 119.36 108.67 1fer n ILE 40 Ca 0.03 -1.57 -0.21 0.00 -0.27 0.00 0.00 62.75 60.73 1fer n ILE 40 Cb 0.41 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1fer n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1fer n ASP 41 N 0.16 -4.31 0.11 7.28 8.00 -1.26 -4.88 116.55 121.65 1fer n ASP 41 Ca 0.23 -0.27 0.11 0.00 0.71 0.00 0.00 54.79 55.57 1fer n ASP 41 Cb 0.96 -3.56 0.47 0.00 -0.02 0.00 0.00 41.12 38.97 1fer n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fer n ALA 43 N -1.74 0.00 0.23 0.00 0.00 -1.26 -4.89 120.51 112.86 1fer n ALA 43 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1fer n ALA 43 Cb 0.22 -1.07 0.55 0.00 0.00 0.00 0.00 19.45 19.15 1fer n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fer h LEU 44 N 0.00 0.00 -0.06 0.00 4.07 -1.92 -3.23 115.31 114.17 1fer h LEU 44 Ca 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.73 1fer h LEU 44 Cb 0.53 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1fer h LEU 44 CO 0.00 0.19 -1.05 0.00 -1.08 0.00 0.00 178.44 176.50 1fer h GLU 46 N 0.10 0.38 0.00 0.00 4.81 -1.89 0.13 114.58 118.10 1fer h GLU 46 Ca -0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1fer h GLU 46 Cb 1.74 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 31.03 1fer h GLU 46 CO 0.17 0.25 -0.04 -1.00 -0.73 0.00 0.00 179.01 177.65 1fer h PRO 47 N 0.39 0.00 0.00 0.92 0.13 -1.76 -3.17 132.00 128.51 1fer h PRO 47 Ca 0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.19 1fer h PRO 47 Cb 0.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 1fer h PRO 47 CO -0.20 0.04 -0.77 0.93 -0.23 0.00 0.00 178.00 177.77 1fer h GLU 48 N 0.00 0.00 -6.14 0.86 4.39 -0.91 -3.44 114.58 109.34 1fer h GLU 48 Ca -0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1fer h GLU 48 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1fer h GLU 48 CO 0.01 0.77 1.36 0.00 -1.16 0.00 0.00 179.01 179.99 1fer h PRO 50 N 13.40 0.00 -0.06 0.00 0.11 -1.91 -1.50 132.00 142.04 1fer h PRO 50 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1fer h PRO 50 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1fer h PRO 50 CO 0.98 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 1fer n ALA 51 N -2.31 2.54 -3.76 -0.75 0.00 -1.26 -4.95 120.51 110.01 1fer n ALA 51 Ca -0.01 -0.53 -0.23 0.00 0.00 0.00 0.00 53.44 52.67 1fer n ALA 51 Cb 0.18 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1fer n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fer n GLN 52 N 0.49 -0.85 0.00 0.00 0.00 -0.56 -4.84 117.38 111.61 1fer n GLN 52 Ca 0.18 0.01 0.12 0.00 0.00 0.00 0.00 57.00 57.31 1fer n GLN 52 Cb 0.41 -2.10 0.23 0.00 0.00 0.00 0.00 30.24 28.77 1fer n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fer n ALA 53 N -3.44 3.52 -2.80 2.61 0.00 -1.26 -4.90 120.51 114.24 1fer n ALA 53 Ca -0.18 -0.43 -0.36 0.00 0.00 0.00 0.00 53.44 52.46 1fer n ALA 53 Cb 0.44 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 1fer n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fer s ILE 54 N -2.75 5.43 0.03 0.00 1.01 -1.26 -0.97 121.20 122.69 1fer s ILE 54 Ca 0.17 0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.11 1fer s ILE 54 Cb 0.18 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1fer s ILE 54 CO 0.64 0.54 -0.07 -0.36 0.00 0.00 0.00 174.94 175.69 1fer s PHE 55 N -0.47 0.62 0.42 3.97 0.40 -0.58 -4.87 117.98 117.47 1fer s PHE 55 Ca 0.13 -0.39 -0.26 0.00 -0.60 0.00 0.00 56.93 55.81 1fer s PHE 55 Cb -0.12 -0.38 -0.09 0.00 0.51 0.00 0.00 43.02 42.94 1fer s PHE 55 CO 0.03 -0.06 1.40 0.45 0.70 0.00 0.00 175.22 177.73 1fer s SER 56 N -1.20 6.12 0.36 1.36 0.15 -1.26 0.42 113.70 119.65 1fer s SER 56 Ca -0.07 2.86 0.15 0.00 0.70 0.00 0.00 55.95 59.60 1fer s SER 56 Cb -0.08 -2.65 1.06 0.00 -1.71 0.00 0.00 66.02 62.64 1fer s SER 56 CO 0.00 -1.00 1.70 -0.08 1.20 0.00 0.00 173.24 175.06 1fer h GLU 57 N 2.59 0.39 -0.00 5.44 4.81 -1.62 0.84 114.58 127.02 1fer h GLU 57 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1fer h GLU 57 Cb 1.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1fer h GLU 57 CO 0.62 0.26 -0.03 -0.25 -0.73 0.00 0.00 179.01 178.88 1fer n ASP 58 N -4.87 0.20 0.00 1.04 8.00 -1.26 -3.28 116.55 116.38 1fer n ASP 58 Ca 0.29 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1fer n ASP 58 Cb 0.93 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1fer n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fer n GLU 59 N -1.03 0.81 -1.70 -1.24 1.02 0.25 -5.03 120.64 113.72 1fer n GLU 59 Ca 0.18 -0.94 -0.43 0.00 -0.02 0.00 0.00 57.16 55.94 1fer n GLU 59 Cb 0.22 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 1fer n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1fer n VAL 60 N -0.22 0.03 -1.32 2.62 0.31 -0.97 -4.86 118.33 113.90 1fer n VAL 60 Ca 0.00 -0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1fer n VAL 60 Cb 0.12 -1.86 0.08 0.00 -0.91 0.00 0.00 33.84 31.27 1fer n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1fer n PRO 61 N 3.93 0.44 -0.19 5.55 -0.02 -1.26 -4.83 135.00 138.63 1fer n PRO 61 Ca 0.16 0.20 -0.06 0.00 -2.02 0.00 0.00 63.50 61.78 1fer n PRO 61 Cb 0.33 -2.12 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1fer n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1fer h GLU 62 N -0.30 0.70 0.00 -0.52 4.22 -2.02 -0.89 114.58 115.78 1fer h GLU 62 Ca -0.47 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1fer h GLU 62 Cb 1.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1fer h GLU 62 CO 0.46 0.46 0.00 -0.40 -2.18 0.00 0.00 179.01 177.35 1fer n ASP 63 N -4.72 0.00 -0.10 1.04 5.75 -1.26 -3.36 116.55 113.90 1fer n ASP 63 Ca 0.03 -1.87 0.05 0.00 -0.01 0.00 0.00 54.79 52.99 1fer n ASP 63 Cb 0.03 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.19 1fer n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1fer n MET 64 N -0.51 1.49 0.24 0.11 2.81 -0.35 -4.84 117.12 116.07 1fer n MET 64 Ca 0.01 -1.88 0.10 0.00 -1.81 0.00 0.00 57.70 54.12 1fer n MET 64 Cb 0.00 -1.14 0.68 0.00 -0.71 0.00 0.00 33.22 32.05 1fer n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1fer h GLN 65 N 0.00 0.00 -0.41 0.03 1.08 -1.54 -1.79 115.11 112.48 1fer h GLN 65 Ca 0.00 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1fer h GLN 65 Cb 0.91 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 1fer h GLN 65 CO 0.00 0.00 0.28 1.49 -0.95 0.00 0.00 178.83 179.65 1fer h GLU 66 N 0.00 0.30 0.00 1.46 4.22 -1.89 -2.05 114.58 116.62 1fer h GLU 66 Ca 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1fer h GLU 66 Cb 0.12 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1fer h GLU 66 CO -0.00 0.20 -0.03 0.74 -2.18 0.00 0.00 179.01 177.74 1fer h PHE 67 N 0.31 0.00 0.58 0.92 0.04 -1.67 -1.12 116.94 116.00 1fer h PHE 67 Ca 0.18 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 1fer h PHE 67 Cb 0.32 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.47 1fer h PHE 67 CO -0.00 0.03 -0.28 0.82 -0.60 0.00 0.00 178.31 178.28 1fer h ILE 68 N 0.00 0.39 0.00 -0.55 2.04 -1.55 0.12 117.51 117.96 1fer h ILE 68 Ca -0.00 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 1fer h ILE 68 Cb 0.13 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1fer h ILE 68 CO 0.00 0.03 -0.48 0.06 0.00 0.00 0.00 178.15 177.76 1fer h GLN 69 N -0.90 0.00 -0.72 2.37 3.07 -1.58 -3.06 115.11 114.29 1fer h GLN 69 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.60 1fer h GLN 69 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.17 1fer h GLN 69 CO 0.13 0.48 0.20 1.25 0.09 0.00 0.00 178.83 180.99 1fer h LEU 70 N 0.00 1.07 -0.60 0.06 6.46 -0.87 -0.32 115.31 121.11 1fer h LEU 70 Ca -0.00 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1fer h LEU 70 Cb 1.15 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.77 1fer h LEU 70 CO 0.06 1.01 0.39 0.78 -0.62 0.00 0.00 178.44 180.07 1fer h ASN 71 N 1.08 0.68 -0.74 1.25 2.35 -0.70 -0.63 115.58 118.88 1fer h ASN 71 Ca 0.23 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1fer h ASN 71 Cb 0.34 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1fer h ASN 71 CO -0.00 0.50 0.35 0.00 -1.65 0.00 0.00 177.43 176.63 1fer h ALA 72 N 1.22 0.96 -0.05 -0.83 0.00 -1.21 -1.18 119.26 118.17 1fer h ALA 72 Ca 0.22 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1fer h ALA 72 Cb -0.09 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.41 1fer h ALA 72 CO -0.05 0.52 -0.56 0.93 0.00 0.00 0.00 179.25 180.09 1fer h GLU 73 N 1.04 0.46 0.00 0.00 5.08 -0.82 -3.21 114.58 117.14 1fer h GLU 73 Ca 0.25 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1fer h GLU 73 Cb 0.13 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1fer h GLU 73 CO -0.03 1.08 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.59 1fer h LEU 74 N 0.01 0.00 -2.04 1.33 3.38 -1.09 -2.66 115.31 114.23 1fer h LEU 74 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1fer h LEU 74 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1fer h LEU 74 CO 0.11 0.40 -0.01 0.00 0.09 0.00 0.00 178.44 179.04 1fer h ALA 75 N 1.60 1.01 -0.00 1.53 0.00 -1.21 -0.10 119.26 122.08 1fer h ALA 75 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fer h ALA 75 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1fer h ALA 75 CO 0.05 0.01 -0.16 0.39 0.00 0.00 0.00 179.25 179.54 1fer n GLU 76 N -3.11 0.36 0.00 0.00 -0.58 -1.00 -4.27 120.64 112.04 1fer n GLU 76 Ca -0.01 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1fer n GLU 76 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1fer n GLU 76 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1fer n VAL 77 N -1.21 0.00 -3.35 2.62 0.24 -0.18 -5.06 118.33 111.38 1fer n VAL 77 Ca 0.11 -0.11 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1fer n VAL 77 Cb 0.30 0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 33.22 1fer n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1fer s TRP 78 N -1.33 3.50 0.60 6.34 0.51 -0.42 -5.08 118.94 123.06 1fer s TRP 78 Ca 0.00 0.40 -0.16 0.00 -2.12 0.00 0.00 56.10 54.22 1fer s TRP 78 Cb 0.00 -1.93 -0.03 0.00 -0.81 0.00 0.00 33.47 30.70 1fer s TRP 78 CO 0.00 0.12 1.06 -1.25 -0.51 0.00 0.00 176.95 176.37 1fer s PRO 79 N -4.23 3.29 0.20 4.98 0.04 -1.25 -4.68 135.00 133.35 1fer s PRO 79 Ca 0.41 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1fer s PRO 79 Cb -0.10 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1fer s PRO 79 CO 0.36 -0.83 1.20 1.21 0.04 0.00 0.00 177.00 178.97 1fer s ASN 80 N -2.78 7.08 -0.09 6.66 3.04 -1.26 -0.16 114.94 127.44 1fer s ASN 80 Ca 0.64 2.26 0.04 0.00 0.04 0.00 0.00 52.86 55.84 1fer s ASN 80 Cb -0.16 -2.61 -0.01 0.00 -1.54 0.00 0.00 41.25 36.93 1fer s ASN 80 CO 0.37 -0.36 -0.23 -0.51 -3.04 0.00 0.00 177.10 173.33 1fer s ILE 81 N -0.20 2.20 0.00 -5.21 2.07 -0.90 -4.84 121.20 114.33 1fer s ILE 81 Ca 0.52 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 1fer s ILE 81 Cb -0.33 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.42 1fer s ILE 81 CO 0.38 0.56 0.19 0.35 -1.91 0.00 0.00 174.94 174.51 1fer n THR 82 N 3.32 0.00 -4.63 4.00 -2.24 -1.26 -4.56 114.28 108.90 1fer n THR 82 Ca -0.18 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 60.95 1fer n THR 82 Cb 0.53 1.07 -0.16 0.00 -2.10 0.00 0.00 70.33 69.67 1fer n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fer s GLU 83 N -0.46 1.37 0.24 -0.78 0.41 -1.26 -4.72 118.70 113.50 1fer s GLU 83 Ca 0.00 -0.47 -0.31 0.00 -0.41 0.00 0.00 54.97 53.78 1fer s GLU 83 Cb 0.00 -1.23 -0.13 0.00 -1.78 0.00 0.00 34.13 30.99 1fer s GLU 83 CO 0.00 0.19 1.47 1.17 -0.49 0.00 0.00 175.26 177.60 1fer n LYS 84 N 3.17 2.18 -3.85 1.61 3.00 -1.26 -4.99 118.16 118.01 1fer n LYS 84 Ca -0.18 0.78 -0.20 0.00 -0.00 0.00 0.00 58.31 58.71 1fer n LYS 84 Cb 0.54 -2.47 -0.05 0.00 0.00 0.00 0.00 35.03 33.04 1fer n LYS 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1fer n LYS 85 N 2.25 0.77 -2.21 1.64 2.85 -1.26 -5.11 118.16 117.09 1fer n LYS 85 Ca 0.12 -2.63 -0.37 0.00 -1.05 0.00 0.00 58.31 54.38 1fer n LYS 85 Cb 0.32 1.25 -0.00 0.00 -0.65 0.00 0.00 35.03 35.95 1fer n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1fer s ASP 86 N -2.93 6.08 0.97 -5.58 1.01 -1.26 -4.73 116.67 110.24 1fer s ASP 86 Ca 0.12 2.35 -0.13 0.00 0.71 0.00 0.00 52.55 55.59 1fer s ASP 86 Cb 0.01 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.38 1fer s ASP 86 CO 0.08 -0.98 0.41 -2.65 0.21 0.00 0.00 175.17 172.25 1fer n PRO 87 N -0.54 -0.46 -1.77 8.23 -0.02 -1.26 -4.91 135.00 134.28 1fer n PRO 87 Ca 0.08 -0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.05 1fer n PRO 87 Cb 0.48 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1fer n PRO 87 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1fer n LEU 88 N -1.55 4.77 -0.34 2.45 4.32 -0.22 -4.84 117.00 121.60 1fer n LEU 88 Ca 0.06 1.20 0.30 0.00 -0.02 0.00 0.00 56.01 57.56 1fer n LEU 88 Cb 0.54 -1.61 0.57 0.00 -1.62 0.00 0.00 43.42 41.30 1fer n LEU 88 CO 0.51 0.02 1.09 1.55 -1.22 0.00 0.00 177.39 179.34 1fer h PRO 89 N 2.74 0.09 -0.50 3.23 0.13 -1.90 0.05 132.00 135.84 1fer h PRO 89 Ca -0.50 -0.01 -0.37 0.00 -0.87 0.00 0.00 66.00 64.26 1fer h PRO 89 Cb 1.25 -0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 1fer h PRO 89 CO 0.63 0.06 -0.69 -0.40 -0.23 0.00 0.00 178.00 177.37 1fer n ASP 90 N -5.16 3.86 -0.34 1.44 5.75 -1.26 -4.83 116.55 116.01 1fer n ASP 90 Ca 0.36 -3.80 0.17 0.00 -0.01 0.00 0.00 54.79 51.51 1fer n ASP 90 Cb 1.23 -0.41 0.38 0.00 -1.03 0.00 0.00 41.12 41.29 1fer n ASP 90 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fer h ALA 91 N 1.77 1.81 0.00 2.12 0.00 -1.13 -0.99 119.26 122.84 1fer h ALA 91 Ca 0.25 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1fer h ALA 91 Cb 1.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1fer h ALA 91 CO 0.51 -0.25 -0.27 0.93 0.00 0.00 0.00 179.25 180.17 1fer h GLU 92 N 0.60 0.00 -0.11 0.00 3.07 -1.88 -0.10 114.58 116.16 1fer h GLU 92 Ca 0.63 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.35 1fer h GLU 92 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 1fer h GLU 92 CO -0.44 0.27 -0.54 -0.44 -1.40 0.00 0.00 179.01 176.45 1fer h ASP 93 N 0.00 0.36 0.88 1.42 3.32 -1.56 -3.22 116.42 117.61 1fer h ASP 93 Ca -0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1fer h ASP 93 Cb 0.74 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1fer h ASP 93 CO 0.03 0.84 -0.95 0.79 -1.72 0.00 0.00 179.24 178.23 1fer n TRP 94 N -3.93 0.78 -1.73 4.55 7.02 -0.89 -4.74 117.44 118.49 1fer n TRP 94 Ca -0.02 0.23 -0.43 0.00 -1.02 0.00 0.00 57.50 56.25 1fer n TRP 94 Cb 0.58 -0.82 -0.03 0.00 -2.42 0.00 0.00 31.31 28.62 1fer n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1fer s ASP 95 N -4.92 5.55 0.00 -0.99 -1.08 -0.10 -1.52 116.67 113.61 1fer s ASP 95 Ca 0.01 1.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.71 1fer s ASP 95 Cb 0.11 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1fer s ASP 95 CO 0.78 -1.92 0.00 0.61 0.52 0.00 0.00 175.17 175.16 1fer n GLY 96 N 5.67 2.17 3.74 2.66 0.00 -1.26 -4.99 105.19 113.18 1fer n GLY 96 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1fer n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fer s VAL 97 N -2.23 3.77 0.28 1.61 1.01 -0.58 -5.03 120.40 119.24 1fer s VAL 97 Ca 0.00 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.48 1fer s VAL 97 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 1fer s VAL 97 CO 0.00 0.29 0.56 -0.54 0.00 0.00 0.00 175.10 175.41 1fer s LYS 98 N -0.54 3.66 -0.93 2.72 -0.14 -1.26 -4.54 119.74 118.71 1fer s LYS 98 Ca 0.49 0.07 -0.04 0.00 -1.36 0.00 0.00 55.97 55.13 1fer s LYS 98 Cb -0.30 -2.63 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 1fer s LYS 98 CO 0.36 0.22 0.53 0.41 -0.76 0.00 0.00 175.35 176.11 1fer n GLY 99 N -0.82 -0.04 0.00 -3.33 0.00 -1.26 -4.92 105.19 94.81 1fer n GLY 99 Ca -0.01 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1fer n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fer n LYS 100 N -3.02 0.48 0.23 1.61 5.02 -1.26 -3.57 118.16 117.64 1fer n LYS 100 Ca -0.04 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1fer n LYS 100 Cb 0.56 -1.50 0.63 0.00 -0.02 0.00 0.00 35.03 34.70 1fer n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1fer h LEU 101 N 0.00 0.04 -0.25 -0.35 5.85 -1.91 0.18 115.31 118.86 1fer h LEU 101 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fer h LEU 101 Cb 0.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1fer h LEU 101 CO 0.00 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 1fer n GLN 102 N -4.53 0.03 -0.16 1.25 10.64 -1.23 -1.39 117.38 121.99 1fer n GLN 102 Ca -0.02 0.44 0.07 0.00 -1.83 0.00 0.00 57.00 55.67 1fer n GLN 102 Cb 0.12 -1.59 0.16 0.00 -0.86 0.00 0.00 30.24 28.07 1fer n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1fer n HIS 103 N -1.66 0.43 -2.04 2.61 8.25 0.63 -5.01 115.22 118.44 1fer n HIS 103 Ca 0.01 -0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 56.71 1fer n HIS 103 Cb 0.07 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 1fer n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1fer s LEU 104 N -1.07 4.38 -0.09 2.41 2.96 -0.49 -4.95 118.68 121.83 1fer s LEU 104 Ca 0.27 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.77 1fer s LEU 104 Cb 0.15 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 1fer s LEU 104 CO 0.20 -0.70 -0.09 -1.61 -1.32 0.00 0.00 176.35 172.83 1fer s GLU 105 N 0.08 3.01 0.00 1.98 2.02 -1.26 -5.12 118.70 119.42 1fer s GLU 105 Ca 0.61 -0.60 0.29 0.00 0.02 0.00 0.00 54.97 55.29 1fer s GLU 105 Cb -0.41 -2.62 1.30 0.00 0.10 0.00 0.00 34.13 32.50 1fer s GLU 105 CO 0.39 0.48 1.89 -2.13 0.02 0.00 0.00 175.26 175.90