#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbi n ASP 18 N 0.00 0.00 -4.76 4.04 9.92 -1.26 -5.11 116.55 119.38 3fbi n ASP 18 Ca 0.00 -0.31 -0.36 0.00 -0.53 0.00 0.00 54.79 53.59 3fbi n ASP 18 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 3fbi n ASP 18 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3fbi s GLN 19 N 1.18 3.20 0.19 -1.24 -1.52 -1.26 -5.07 119.66 115.15 3fbi s GLN 19 Ca 0.00 -0.29 -0.33 0.00 -1.95 0.00 0.00 55.36 52.79 3fbi s GLN 19 Cb 0.00 -2.97 -0.14 0.00 -0.22 0.00 0.00 33.01 29.68 3fbi s GLN 19 CO 0.00 0.72 1.38 0.09 -0.25 0.00 0.00 175.29 177.23 3fbi n ASN 20 N 2.12 2.36 -4.66 5.90 4.13 -1.26 -4.96 115.26 118.90 3fbi n ASN 20 Ca -0.19 1.13 -0.29 0.00 1.68 0.00 0.00 54.58 56.91 3fbi n ASN 20 Cb 0.54 -1.35 0.15 0.00 -1.54 0.00 0.00 39.78 37.58 3fbi n ASN 20 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3fbi s PRO 21 N -0.02 0.80 0.29 3.52 0.04 -1.26 -5.00 135.00 133.38 3fbi s PRO 21 Ca 0.73 0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 3fbi s PRO 21 Cb -0.74 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 3fbi s PRO 21 CO 0.47 -2.42 0.71 -0.51 0.04 0.00 0.00 177.00 175.29 3fbi s LEU 22 N -6.17 4.12 0.78 -3.56 1.43 -1.26 -5.01 118.68 109.01 3fbi s LEU 22 Ca 0.65 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.86 3fbi s LEU 22 Cb -0.14 -3.95 0.01 0.00 0.03 0.00 0.00 46.19 42.14 3fbi s LEU 22 CO 0.54 -0.15 0.77 -2.65 0.23 0.00 0.00 176.35 175.09 3fbi n PRO 23 N -0.15 0.21 -2.77 1.29 -0.02 -1.26 -5.01 135.00 127.30 3fbi n PRO 23 Ca 0.02 0.13 -0.26 0.00 -2.02 0.00 0.00 63.50 61.37 3fbi n PRO 23 Cb 0.53 -2.07 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 3fbi n PRO 23 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3fbi s THR 24 N -2.03 4.49 0.25 3.45 2.01 -1.26 -4.89 115.64 117.66 3fbi s THR 24 Ca 0.68 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 3fbi s THR 24 Cb -0.31 -3.70 0.22 0.00 0.01 0.00 0.00 72.50 68.72 3fbi s THR 24 CO 0.56 -0.62 1.77 -0.09 -0.69 0.00 0.00 174.62 175.55 3fbi h ARG 25 N 0.25 0.62 -0.20 4.92 2.43 -1.98 0.64 114.38 121.06 3fbi h ARG 25 Ca -0.47 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3fbi h ARG 25 Cb 1.23 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3fbi h ARG 25 CO 0.61 0.41 0.12 0.35 -1.51 0.00 0.00 179.97 179.94 3fbi h PHE 26 N 0.63 0.26 0.00 2.20 3.57 -1.99 -1.37 116.94 120.24 3fbi h PHE 26 Ca 0.42 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.86 3fbi h PHE 26 Cb 0.52 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3fbi h PHE 26 CO -0.10 0.20 -0.28 0.93 -2.23 0.00 0.00 178.31 176.84 3fbi h GLU 27 N 0.24 0.00 -0.26 1.11 5.08 -1.77 -0.57 114.58 118.41 3fbi h GLU 27 Ca 0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 3fbi h GLU 27 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3fbi h GLU 27 CO -0.01 0.28 -0.33 0.28 -1.00 0.00 0.00 179.01 178.22 3fbi h VAL 28 N 0.00 1.31 0.05 3.13 2.07 0.63 -2.19 116.25 121.25 3fbi h VAL 28 Ca -0.00 -1.52 -0.25 0.00 0.82 0.00 0.00 66.70 65.75 3fbi h VAL 28 Cb 0.50 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3fbi h VAL 28 CO 0.04 0.48 -1.06 -0.33 0.02 0.00 0.00 177.57 176.72 3fbi h GLU 29 N 0.41 0.45 -0.69 1.57 5.08 -1.18 -1.77 114.58 118.45 3fbi h GLU 29 Ca 0.03 -0.54 0.04 0.00 -1.00 0.00 0.00 59.36 57.88 3fbi h GLU 29 Cb 0.91 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 3fbi h GLU 29 CO 0.08 1.19 0.43 1.25 -1.00 0.00 0.00 179.01 180.96 3fbi h LEU 30 N 0.22 0.69 -0.32 1.33 5.85 -1.11 0.42 115.31 122.39 3fbi h LEU 30 Ca -0.11 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 3fbi h LEU 30 Cb 1.72 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 3fbi h LEU 30 CO 0.19 0.47 -0.50 -0.08 -0.34 0.00 0.00 178.44 178.18 3fbi h GLU 31 N 0.82 0.91 -0.22 1.25 4.81 -1.38 -3.16 114.58 117.61 3fbi h GLU 31 Ca 0.28 -0.54 -0.14 0.00 -0.13 0.00 0.00 59.36 58.83 3fbi h GLU 31 Cb 0.05 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3fbi h GLU 31 CO -0.12 1.19 -0.43 0.35 -0.73 0.00 0.00 179.01 179.27 3fbi h PHE 32 N 0.71 0.86 -0.19 0.92 3.57 -0.85 -2.39 116.94 119.57 3fbi h PHE 32 Ca 0.03 -0.31 -0.10 0.00 3.53 0.00 0.00 57.97 61.12 3fbi h PHE 32 Cb 1.10 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3fbi h PHE 32 CO 0.07 1.08 -0.30 0.97 -2.23 0.00 0.00 178.31 177.90 3fbi h ILE 33 N 0.39 1.27 0.00 1.41 2.10 -1.03 -2.50 117.51 119.15 3fbi h ILE 33 Ca 0.01 -1.32 -0.01 0.00 1.08 0.00 0.00 64.86 64.61 3fbi h ILE 33 Cb 1.03 1.46 -0.00 0.00 -1.09 0.00 0.00 36.82 38.22 3fbi h ILE 33 CO 0.10 0.41 -0.06 1.56 -1.08 0.00 0.00 178.15 179.07 3fbi h GLN 34 N 0.33 0.00 0.00 2.19 4.20 -1.50 -1.84 115.11 118.49 3fbi h GLN 34 Ca 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3fbi h GLN 34 Cb 0.70 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 3fbi h GLN 34 CO 0.05 0.06 -0.02 0.66 -0.67 0.00 0.00 178.83 178.92 3fbi h SER 35 N 0.00 0.00 0.00 1.46 4.64 -0.95 -2.44 113.55 116.26 3fbi h SER 35 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fbi h SER 35 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3fbi h SER 35 CO 0.01 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 3fbi n LEU 36 N -3.65 0.00 0.00 5.97 4.77 -0.69 -1.99 117.00 121.41 3fbi n LEU 36 Ca -0.03 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3fbi n LEU 36 Cb 0.11 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.56 3fbi n LEU 36 CO 0.26 0.00 0.61 0.00 -1.33 0.00 0.00 177.39 176.93 3fbi n ALA 37 N -0.85 3.15 -2.70 -1.18 0.00 -0.92 -4.59 120.51 113.42 3fbi n ALA 37 Ca 0.13 -0.27 -0.44 0.00 0.00 0.00 0.00 53.44 52.87 3fbi n ALA 37 Cb 0.06 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 3fbi n ALA 37 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3fbi s ASN 38 N -3.05 6.24 0.44 0.00 2.47 -0.84 -4.81 114.94 115.40 3fbi s ASN 38 Ca 0.12 -0.80 0.13 0.00 0.42 0.00 0.00 52.86 52.73 3fbi s ASN 38 Cb 0.18 -2.29 1.03 0.00 -1.45 0.00 0.00 41.25 38.72 3fbi s ASN 38 CO 0.65 -0.85 2.02 0.40 -3.72 0.00 0.00 177.10 175.60 3fbi h ILE 39 N 5.85 0.96 -0.42 -5.21 1.08 -1.87 -1.63 117.51 116.27 3fbi h ILE 39 Ca -0.27 -0.13 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 3fbi h ILE 39 Cb 1.10 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 3fbi h ILE 39 CO 0.94 0.07 0.11 1.56 -0.69 0.00 0.00 178.15 180.14 3fbi h GLN 40 N 0.38 0.66 -0.14 2.37 1.08 -1.95 -0.74 115.11 116.77 3fbi h GLN 40 Ca 0.21 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 3fbi h GLN 40 Cb 0.33 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3fbi h GLN 40 CO -0.05 0.67 0.01 -0.92 -0.95 0.00 0.00 178.83 177.59 3fbi h TYR 41 N 0.54 0.25 -0.98 2.96 3.20 -1.65 0.74 116.97 122.02 3fbi h TYR 41 Ca 0.13 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3fbi h TYR 41 Cb 0.29 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 3fbi h TYR 41 CO 0.02 0.43 0.64 0.28 -1.64 0.00 0.00 178.16 177.89 3fbi h VAL 42 N -0.01 1.18 -0.25 1.81 2.07 -1.31 -1.01 116.25 118.74 3fbi h VAL 42 Ca 0.04 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3fbi h VAL 42 Cb 0.32 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3fbi h VAL 42 CO 0.00 0.23 0.12 0.74 0.02 0.00 0.00 177.57 178.68 3fbi h THR 43 N 1.24 1.15 -0.54 2.57 2.02 -0.86 -0.57 112.91 117.92 3fbi h THR 43 Ca 0.39 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 67.18 3fbi h THR 43 Cb -0.01 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3fbi h THR 43 CO -0.12 0.15 0.36 0.22 0.37 0.00 0.00 175.52 176.50 3fbi h TYR 44 N 0.27 0.58 -0.04 3.16 5.03 -0.07 0.06 116.97 125.96 3fbi h TYR 44 Ca 0.09 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 3fbi h TYR 44 Cb 0.13 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 3fbi h TYR 44 CO -0.02 0.33 -0.01 -0.07 -1.32 0.00 0.00 178.16 177.07 3fbi h LEU 45 N 0.60 0.08 -2.06 2.82 3.38 -0.82 -3.16 115.31 116.14 3fbi h LEU 45 Ca 0.22 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3fbi h LEU 45 Cb 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3fbi h LEU 45 CO -0.06 0.46 0.08 -0.07 0.09 0.00 0.00 178.44 178.95 3fbi h LEU 46 N -0.31 0.00 -4.95 1.67 3.38 0.13 -1.67 115.31 113.55 3fbi h LEU 46 Ca 0.01 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.23 3fbi h LEU 46 Cb 0.43 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.92 3fbi h LEU 46 CO 0.00 0.00 1.01 0.35 0.09 0.00 0.00 178.44 179.90 3fbi n THR 47 N -4.39 3.58 -4.28 0.22 -2.24 -0.11 -4.55 114.28 102.51 3fbi n THR 47 Ca -0.00 -4.18 -0.30 0.00 -2.27 0.00 0.00 64.05 57.30 3fbi n THR 47 Cb 0.20 -1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 67.06 3fbi n THR 47 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3fbi s GLN 48 N -3.88 2.24 -0.08 -0.78 2.00 -0.63 -4.95 119.66 113.57 3fbi s GLN 48 Ca 0.53 -0.95 -0.01 0.00 -2.00 0.00 0.00 55.36 52.93 3fbi s GLN 48 Cb 0.44 -2.36 -0.00 0.00 0.80 0.00 0.00 33.01 31.89 3fbi s GLN 48 CO -0.40 0.53 -0.01 -0.56 -0.50 0.00 0.00 175.29 174.35 3fbi h GLN 49 N 3.78 0.00 -0.08 1.67 -0.00 -1.88 -3.43 115.11 115.16 3fbi h GLN 49 Ca -0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.14 3fbi h GLN 49 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.64 3fbi h GLN 49 CO 0.53 0.00 -0.05 1.96 -0.00 0.00 0.00 178.83 181.28 3fbi h GLN 50 N -0.81 0.18 0.00 0.06 4.20 -1.92 -3.33 115.11 113.49 3fbi h GLN 50 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3fbi h GLN 50 Cb 0.03 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3fbi h GLN 50 CO 0.00 0.55 0.00 0.44 -0.67 0.00 0.00 178.83 179.15 3fbi n ILE 51 N -4.74 1.46 0.77 2.54 -5.35 -1.26 -1.14 119.36 111.62 3fbi n ILE 51 Ca -0.07 0.41 0.08 0.00 -0.27 0.00 0.00 62.75 62.90 3fbi n ILE 51 Cb 0.27 -1.31 -0.02 0.00 -1.74 0.00 0.00 39.64 36.84 3fbi n ILE 51 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3fbi n TRP 52 N -1.63 0.00 -0.37 4.28 7.02 -1.25 -4.21 117.44 121.28 3fbi n TRP 52 Ca 0.01 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.54 3fbi n TRP 52 Cb 0.08 0.00 0.20 0.00 -2.42 0.00 0.00 31.31 29.17 3fbi n TRP 52 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3fbi h LYS 53 N 1.61 1.07 -6.56 -0.99 1.57 -1.30 -3.44 116.57 108.53 3fbi h LYS 53 Ca 0.00 -0.06 -0.65 0.00 -1.87 0.00 0.00 60.65 58.07 3fbi h LYS 53 Cb 0.55 -0.24 -0.16 0.00 0.08 0.00 0.00 32.23 32.46 3fbi h LYS 53 CO 0.00 0.71 -0.77 -1.54 -0.57 0.00 0.00 179.45 177.28 3fbi s SER 54 N -5.81 3.97 0.00 0.86 1.04 -1.26 -5.03 113.70 107.47 3fbi s SER 54 Ca -0.12 -0.64 0.24 0.00 0.48 0.00 0.00 55.95 55.91 3fbi s SER 54 Cb 0.21 -0.57 1.25 0.00 0.10 0.00 0.00 66.02 67.02 3fbi s SER 54 CO 0.81 0.13 1.80 -0.81 0.98 0.00 0.00 173.24 176.15 3fbi n PRO 55 N 0.30 0.41 0.00 4.02 -0.04 -1.26 -4.15 135.00 134.28 3fbi n PRO 55 Ca -0.12 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3fbi n PRO 55 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3fbi n PRO 55 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fbi n ASN 56 N -1.24 0.00 -0.22 3.54 4.13 -1.26 -0.27 115.26 119.94 3fbi n ASN 56 Ca 0.13 0.88 -0.02 0.00 1.68 0.00 0.00 54.58 57.24 3fbi n ASN 56 Cb 0.17 -0.38 0.09 0.00 -1.54 0.00 0.00 39.78 38.12 3fbi n ASN 56 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3fbi h PHE 57 N 0.00 0.67 -0.95 3.10 3.57 -1.77 0.18 116.94 121.74 3fbi h PHE 57 Ca 0.00 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.66 3fbi h PHE 57 Cb 0.00 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 38.45 3fbi h PHE 57 CO -0.62 0.34 0.60 -0.22 -2.23 0.00 0.00 178.31 176.18 3fbi h LYS 58 N 0.69 0.79 0.04 1.11 3.64 -1.75 -0.38 116.57 120.71 3fbi h LYS 58 Ca 0.28 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.38 3fbi h LYS 58 Cb 0.14 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3fbi h LYS 58 CO -0.16 0.52 -1.01 -0.91 -2.27 0.00 0.00 179.45 175.63 3fbi h ASN 59 N 0.81 0.40 -0.35 4.20 2.35 0.16 -3.01 115.58 120.15 3fbi h ASN 59 Ca 0.48 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3fbi h ASN 59 Cb 0.66 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 3fbi h ASN 59 CO -0.25 1.19 0.16 0.22 -1.65 0.00 0.00 177.43 177.09 3fbi h TYR 60 N 0.14 0.52 -0.73 1.19 3.20 0.03 -1.67 116.97 119.65 3fbi h TYR 60 Ca -0.08 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.81 3fbi h TYR 60 Cb 1.67 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.74 3fbi h TYR 60 CO 0.05 0.47 0.48 -0.07 -1.64 0.00 0.00 178.16 177.45 3fbi h LEU 61 N 0.43 0.71 -0.29 2.82 3.38 -1.09 -0.56 115.31 120.71 3fbi h LEU 61 Ca 0.12 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 3fbi h LEU 61 Cb 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fbi h LEU 61 CO -0.01 0.47 -0.72 0.50 0.09 0.00 0.00 178.44 178.77 3fbi h LYS 62 N 0.81 0.65 -0.71 1.13 1.63 -1.36 -2.92 116.57 115.80 3fbi h LYS 62 Ca 0.31 -0.51 0.07 0.00 -0.85 0.00 0.00 60.65 59.67 3fbi h LYS 62 Cb 0.18 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 3fbi h LYS 62 CO -0.10 1.13 0.47 -0.92 -3.45 0.00 0.00 179.45 176.57 3fbi h TYR 63 N 0.45 0.72 0.00 1.91 5.03 -0.30 -2.75 116.97 122.03 3fbi h TYR 63 Ca -0.03 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 3fbi h TYR 63 Cb 1.32 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.37 3fbi h TYR 63 CO 0.07 0.38 0.00 1.28 -1.32 0.00 0.00 178.16 178.56 3fbi n LEU 64 N -4.48 0.00 0.00 2.82 4.77 -0.33 -2.95 117.00 116.83 3fbi n LEU 64 Ca 0.11 0.29 0.06 0.00 -0.03 0.00 0.00 56.01 56.43 3fbi n LEU 64 Cb 0.25 -0.29 0.33 0.00 -2.33 0.00 0.00 43.42 41.39 3fbi n LEU 64 CO 0.34 -0.14 0.59 -0.62 -1.33 0.00 0.00 177.39 176.23 3fbi n GLU 65 N -1.29 0.65 0.24 3.23 1.02 -1.04 -2.44 120.64 121.02 3fbi n GLU 65 Ca 0.07 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 3fbi n GLU 65 Cb 0.13 -1.27 0.60 0.00 -0.02 0.00 0.00 31.44 30.87 3fbi n GLU 65 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 3fbi h TYR 66 N 0.00 0.00 0.00 -0.32 -0.00 -1.80 -1.85 116.97 113.00 3fbi h TYR 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3fbi h TYR 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3fbi h TYR 66 CO 0.00 0.18 0.00 -1.49 -0.00 0.00 0.00 178.16 176.85 3fbi h TRP 67 N 0.00 0.00 0.00 0.10 4.06 -1.79 -2.97 115.95 115.35 3fbi h TRP 67 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3fbi h TRP 67 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.70 3fbi h TRP 67 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 3fbi s ASN 69 N -3.02 3.29 0.61 0.00 0.02 -1.12 -4.78 114.94 109.94 3fbi s ASN 69 Ca 0.09 -1.07 -0.15 0.00 -1.02 0.00 0.00 52.86 50.71 3fbi s ASN 69 Cb 0.13 -0.26 -0.03 0.00 0.02 0.00 0.00 41.25 41.12 3fbi s ASN 69 CO 0.36 -0.08 1.07 -2.84 0.02 0.00 0.00 177.10 175.63 3fbi s PRO 70 N -3.58 3.19 0.00 -0.60 0.02 -1.26 -0.11 135.00 132.66 3fbi s PRO 70 Ca 0.29 1.24 0.31 0.00 0.02 0.00 0.00 61.00 62.85 3fbi s PRO 70 Cb -0.02 -2.01 1.59 0.00 0.02 0.00 0.00 34.50 34.08 3fbi s PRO 70 CO 0.13 -0.92 2.06 -0.35 -0.33 0.00 0.00 177.00 177.59 3fbi n PRO 71 N -2.15 0.99 0.07 5.54 -0.05 -1.26 -4.83 135.00 133.31 3fbi n PRO 71 Ca 0.09 -0.21 -0.12 0.00 -0.05 0.00 0.00 63.50 63.21 3fbi n PRO 71 Cb 0.53 -1.50 -0.07 0.00 -0.05 0.00 0.00 33.50 32.41 3fbi n PRO 71 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3fbi h TYR 72 N 0.51 -0.12 -0.92 0.54 -1.99 -1.49 -2.34 116.97 111.16 3fbi h TYR 72 Ca 0.00 0.00 0.24 0.00 2.00 0.00 0.00 58.73 60.97 3fbi h TYR 72 Cb 0.19 0.05 -0.06 0.00 2.00 0.00 0.00 36.73 38.91 3fbi h TYR 72 CO 0.00 -0.08 0.63 0.66 -0.00 0.00 0.00 178.16 179.37 3fbi h SER 73 N -0.11 0.25 0.00 3.88 4.64 0.18 0.31 113.55 122.69 3fbi h SER 73 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3fbi h SER 73 Cb 0.11 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3fbi h SER 73 CO -0.02 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3fbi n GLN 74 N -4.43 0.61 -0.00 4.77 6.02 -0.88 -1.92 117.38 121.55 3fbi n GLN 74 Ca 0.20 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.27 3fbi n GLN 74 Cb 0.83 -1.45 -0.10 0.00 1.02 0.00 0.00 30.24 30.55 3fbi n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fbi s ILE 76 N -2.59 4.44 0.05 0.00 -1.09 -0.81 -4.90 121.20 116.31 3fbi s ILE 76 Ca 0.05 1.64 -0.07 0.00 -2.23 0.00 0.00 60.65 60.04 3fbi s ILE 76 Cb 0.12 -4.43 -0.30 0.00 -1.58 0.00 0.00 42.46 36.27 3fbi s ILE 76 CO 0.68 -0.56 1.06 0.58 -1.23 0.00 0.00 174.94 175.47 3fbi h VAL 77 N 5.82 1.40 -3.09 2.92 2.07 -1.91 -3.40 116.25 120.06 3fbi h VAL 77 Ca -0.21 -2.95 -0.69 0.00 0.82 0.00 0.00 66.70 63.67 3fbi h VAL 77 Cb 1.06 2.94 -0.36 0.00 -1.52 0.00 0.00 31.29 33.41 3fbi h VAL 77 CO 1.05 0.87 -0.10 -1.22 0.02 0.00 0.00 177.57 178.18 3fbi n TYR 78 N -3.56 3.87 0.37 1.57 4.01 -1.26 -4.94 117.16 117.23 3fbi n TYR 78 Ca -0.12 -3.99 0.05 0.00 -0.16 0.00 0.00 57.90 53.69 3fbi n TYR 78 Cb 1.04 -1.03 0.22 0.00 -0.31 0.00 0.00 39.34 39.27 3fbi n TYR 78 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3fbi n PRO 79 N 1.95 0.03 -0.34 -0.72 -0.02 -1.26 -2.48 135.00 132.16 3fbi n PRO 79 Ca 0.23 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 3fbi n PRO 79 Cb 0.37 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.53 3fbi n PRO 79 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3fbi h ASN 80 N 0.00 1.03 -1.03 2.55 2.35 -1.95 -1.20 115.58 117.34 3fbi h ASN 80 Ca 0.00 -0.01 0.28 0.00 -0.55 0.00 0.00 56.30 56.02 3fbi h ASN 80 Cb 0.15 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.23 3fbi h ASN 80 CO 0.00 0.70 0.70 0.00 -1.65 0.00 0.00 177.43 177.18 3fbi h LEU 82 N 0.20 0.11 0.24 0.00 3.38 -1.44 -0.00 115.31 117.79 3fbi h LEU 82 Ca 0.53 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 3fbi h LEU 82 Cb 1.71 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3fbi h LEU 82 CO -0.13 0.62 -0.12 0.15 0.09 0.00 0.00 178.44 179.05 3fbi h PHE 83 N 0.08 -0.30 -0.79 1.13 3.57 -0.54 -2.85 116.94 117.24 3fbi h PHE 83 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 3fbi h PHE 83 Cb 0.96 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 3fbi h PHE 83 CO 0.01 0.07 0.45 0.82 -2.23 0.00 0.00 178.31 177.42 3fbi h ILE 84 N -0.89 0.92 -0.29 1.41 1.08 -1.18 -1.86 117.51 116.70 3fbi h ILE 84 Ca -0.03 -0.26 0.06 0.00 -0.39 0.00 0.00 64.86 64.23 3fbi h ILE 84 Cb 0.51 0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 3fbi h ILE 84 CO 0.06 0.14 -0.07 0.25 -0.69 0.00 0.00 178.15 177.83 3fbi h LEU 85 N 0.77 -0.27 -0.64 1.44 5.85 -1.03 0.15 115.31 121.56 3fbi h LEU 85 Ca 0.38 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.15 3fbi h LEU 85 Cb 0.32 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3fbi h LEU 85 CO -0.24 -0.10 0.26 0.11 -0.34 0.00 0.00 178.44 178.13 3fbi h LYS 86 N -0.00 0.96 0.20 1.25 1.79 -1.12 0.12 116.57 119.77 3fbi h LYS 86 Ca 0.14 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3fbi h LYS 86 Cb 0.21 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3fbi h LYS 86 CO -0.30 0.81 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.72 3fbi h LEU 87 N 0.90 -0.23 -0.35 2.94 3.38 -1.06 -1.94 115.31 118.95 3fbi h LEU 87 Ca 0.21 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3fbi h LEU 87 Cb 0.21 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3fbi h LEU 87 CO -0.02 -0.04 -0.19 0.25 0.09 0.00 0.00 178.44 178.54 3fbi h LEU 88 N -0.41 -0.63 -0.17 1.67 5.85 -0.47 0.27 115.31 121.43 3fbi h LEU 88 Ca -0.03 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3fbi h LEU 88 Cb 0.31 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3fbi h LEU 88 CO 0.04 -0.22 0.04 0.78 -0.34 0.00 0.00 178.44 178.75 3fbi h ASN 89 N -0.13 0.04 -0.70 1.25 2.35 -0.76 -2.77 115.58 114.86 3fbi h ASN 89 Ca 0.18 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 3fbi h ASN 89 Cb 0.40 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3fbi h ASN 89 CO -0.43 0.05 0.24 1.23 -1.65 0.00 0.00 177.43 176.87 3fbi h GLY 90 N 0.12 1.17 -2.46 2.83 0.00 -0.98 -2.81 103.07 100.94 3fbi h GLY 90 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3fbi h GLY 90 CO -0.09 0.62 0.00 0.33 0.00 0.00 0.00 176.54 177.41 3fbi n PHE 91 N -4.27 0.00 0.00 5.60 7.35 0.91 -3.83 117.46 123.22 3fbi n PHE 91 Ca 0.06 -0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 3fbi n PHE 91 Cb 0.21 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 39.90 3fbi n PHE 91 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3fbi n GLU 93 N 1.22 0.00 -0.05 -4.13 1.02 -1.06 -2.27 120.64 115.37 3fbi n GLU 93 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 3fbi n GLU 93 Cb 0.01 -0.08 0.07 0.00 -0.02 0.00 0.00 31.44 31.41 3fbi n GLU 93 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3fbi n SER 94 N 0.00 2.08 -4.77 1.62 3.41 -1.25 -5.01 113.62 109.70 3fbi n SER 94 Ca 0.00 -1.61 -0.39 0.00 -0.26 0.00 0.00 58.87 56.61 3fbi n SER 94 Cb 0.00 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3fbi n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fbi s ALA 95 N -0.81 3.32 -0.14 7.33 0.00 -0.96 -5.03 121.76 125.47 3fbi s ALA 95 Ca 0.12 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 53.00 3fbi s ALA 95 Cb 0.08 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 3fbi s ALA 95 CO 0.11 -0.33 -0.03 0.42 0.00 0.00 0.00 175.76 175.92 3fbi s ILE 96 N -1.28 3.94 -0.14 0.00 1.01 -1.26 -5.09 121.20 118.38 3fbi s ILE 96 Ca 0.50 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.81 3fbi s ILE 96 Cb -0.32 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.47 3fbi s ILE 96 CO 0.41 0.52 -0.16 0.54 0.00 0.00 0.00 174.94 176.24 3fbi s VAL 97 N 0.04 1.67 1.24 2.92 0.11 -1.26 -2.64 120.40 122.48 3fbi s VAL 97 Ca 0.00 -0.72 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 3fbi s VAL 97 Cb -0.13 -1.53 0.30 0.00 -1.53 0.00 0.00 36.38 33.49 3fbi s VAL 97 CO 0.03 0.47 1.02 0.21 -3.33 0.00 0.00 175.10 173.50 3fbi s ASN 98 N 1.19 0.43 0.33 3.54 2.47 -1.20 -4.86 114.94 116.85 3fbi s ASN 98 Ca -0.01 1.05 0.03 0.00 0.42 0.00 0.00 52.86 54.35 3fbi s ASN 98 Cb -0.14 -1.58 0.57 0.00 -1.45 0.00 0.00 41.25 38.65 3fbi s ASN 98 CO -0.06 -4.47 1.89 -0.33 -3.72 0.00 0.00 177.10 170.40 3fbi h GLU 99 N -2.81 0.65 -0.94 0.43 5.08 -2.00 -2.19 114.58 112.80 3fbi h GLU 99 Ca -0.52 -0.12 0.27 0.00 -1.00 0.00 0.00 59.36 58.00 3fbi h GLU 99 Cb 1.33 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 3fbi h GLU 99 CO 0.41 0.60 0.68 0.22 -1.00 0.00 0.00 179.01 179.91 3fbi h ASP 100 N 0.64 0.00 0.00 1.42 3.58 -2.00 -3.45 116.42 116.61 3fbi h ASP 100 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3fbi h ASP 100 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 3fbi h ASP 100 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 3fbi n GLY 101 N -1.72 0.64 3.88 -0.78 0.00 -0.82 -4.94 105.19 101.44 3fbi n GLY 101 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3fbi n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fbi s LEU 102 N 0.00 3.92 -0.49 0.99 1.43 -1.26 -4.37 118.68 118.89 3fbi s LEU 102 Ca 0.00 1.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.88 3fbi s LEU 102 Cb 0.00 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.35 3fbi s LEU 102 CO 0.00 -0.32 1.03 -0.76 0.23 0.00 0.00 176.35 176.53 3fbi s LEU 103 N -3.65 3.83 0.28 1.79 1.43 -1.26 -3.21 118.68 117.90 3fbi s LEU 103 Ca 0.50 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.49 3fbi s LEU 103 Cb -0.10 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 3fbi s LEU 103 CO 0.29 -1.18 1.37 -1.61 0.23 0.00 0.00 176.35 175.44 3fbi s GLU 104 N 4.14 4.32 0.00 1.70 2.02 -1.08 -2.54 118.70 127.25 3fbi s GLU 104 Ca 0.41 2.24 0.00 0.00 0.02 0.00 0.00 54.97 57.64 3fbi s GLU 104 Cb -0.09 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.04 3fbi s GLU 104 CO 0.28 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.67 3fbi n GLY 105 N 1.53 2.30 2.95 -1.39 0.00 -1.26 -4.70 105.19 104.61 3fbi n GLY 105 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3fbi n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fbi n LEU 106 N 0.00 6.55 -2.36 0.99 4.77 -1.05 -4.75 117.00 121.15 3fbi n LEU 106 Ca 0.00 -5.10 -0.29 0.00 -0.03 0.00 0.00 56.01 50.59 3fbi n LEU 106 Cb 0.00 -1.31 0.02 0.00 -2.33 0.00 0.00 43.42 39.80 3fbi n LEU 106 CO 0.00 1.65 0.52 0.47 -1.33 0.00 0.00 177.39 178.70 3fbi n ASP 107 N 1.78 5.52 -4.61 -1.43 9.92 -1.26 -4.93 116.55 121.54 3fbi n ASP 107 Ca 0.30 -3.75 -0.32 0.00 -0.53 0.00 0.00 54.79 50.49 3fbi n ASP 107 Cb 0.33 -0.56 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 3fbi n ASP 107 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 3fbi n GLU 108 N -0.62 0.80 -2.85 -1.24 0.28 -1.26 -5.16 120.64 110.59 3fbi n GLU 108 Ca 0.46 -3.60 -0.20 0.00 -0.16 0.00 0.00 57.16 53.66 3fbi n GLU 108 Cb 0.71 0.95 0.05 0.00 1.43 0.00 0.00 31.44 34.58 3fbi n GLU 108 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3fbi s LEU 109 N 0.00 3.27 0.00 -1.84 1.43 -1.26 -5.18 118.68 115.10 3fbi s LEU 109 Ca 0.01 -0.45 0.28 0.00 -1.03 0.00 0.00 54.13 52.94 3fbi s LEU 109 Cb -0.00 -2.25 1.15 0.00 0.03 0.00 0.00 46.19 45.12 3fbi s LEU 109 CO 0.01 -1.25 1.80 -2.65 0.23 0.00 0.00 176.35 174.49