#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbi s ASN 20 N 0.00 5.94 1.26 1.08 0.01 -1.26 -5.11 114.94 116.86 3fbi s ASN 20 Ca 0.00 0.05 -0.16 0.00 -0.71 0.00 0.00 52.86 52.04 3fbi s ASN 20 Cb 0.00 -1.69 0.32 0.00 0.41 0.00 0.00 41.25 40.29 3fbi s ASN 20 CO 0.00 0.08 0.99 -2.16 -1.51 0.00 0.00 177.10 174.50 3fbi s PRO 21 N -3.02 -1.66 0.41 -0.60 0.04 -1.26 -4.93 135.00 123.98 3fbi s PRO 21 Ca 0.33 0.61 -0.26 0.00 0.04 0.00 0.00 61.00 61.72 3fbi s PRO 21 Cb -0.11 -1.48 -0.08 0.00 0.04 0.00 0.00 34.50 32.86 3fbi s PRO 21 CO 0.26 -4.16 1.28 -0.51 0.04 0.00 0.00 177.00 173.91 3fbi s LEU 22 N -7.46 4.18 0.52 -3.56 1.43 -1.26 -4.95 118.68 107.58 3fbi s LEU 22 Ca 0.69 2.60 -0.20 0.00 -1.03 0.00 0.00 54.13 56.19 3fbi s LEU 22 Cb -0.22 -3.95 -0.09 0.00 0.03 0.00 0.00 46.19 41.96 3fbi s LEU 22 CO 0.63 -0.87 0.79 -0.81 0.23 0.00 0.00 176.35 176.32 3fbi n PRO 23 N 0.03 0.87 -1.62 1.29 -0.04 -1.26 -5.02 135.00 129.24 3fbi n PRO 23 Ca 0.04 0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 63.52 3fbi n PRO 23 Cb 0.44 -1.90 0.05 0.00 -0.04 0.00 0.00 33.50 32.04 3fbi n PRO 23 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3fbi s THR 24 N -1.50 4.09 0.16 0.52 2.01 -1.26 -4.82 115.64 114.84 3fbi s THR 24 Ca 0.68 0.68 -0.15 0.00 0.31 0.00 0.00 61.69 63.21 3fbi s THR 24 Cb -0.49 -3.46 0.05 0.00 0.01 0.00 0.00 72.50 68.61 3fbi s THR 24 CO 0.53 -0.89 1.73 -0.09 -0.69 0.00 0.00 174.62 175.21 3fbi h ARG 25 N -0.67 0.20 -0.28 4.92 2.43 -1.98 0.83 114.38 119.83 3fbi h ARG 25 Ca -0.44 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 3fbi h ARG 25 Cb 1.21 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3fbi h ARG 25 CO 0.58 0.13 -0.01 0.35 -1.51 0.00 0.00 179.97 179.51 3fbi h PHE 26 N 0.20 -0.03 -0.95 2.20 3.57 -1.99 -0.10 116.94 119.84 3fbi h PHE 26 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3fbi h PHE 26 Cb 0.22 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 3fbi h PHE 26 CO -0.20 -0.05 0.60 0.93 -2.23 0.00 0.00 178.31 177.36 3fbi h GLU 27 N 0.08 1.27 -0.34 1.11 5.08 -1.67 -1.68 114.58 118.43 3fbi h GLU 27 Ca 0.14 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3fbi h GLU 27 Cb 0.18 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3fbi h GLU 27 CO -0.23 0.87 -0.06 0.28 -1.00 0.00 0.00 179.01 178.86 3fbi h VAL 28 N 1.30 1.22 0.21 3.13 2.07 0.12 -1.44 116.25 122.87 3fbi h VAL 28 Ca 0.34 -0.93 -0.34 0.00 0.82 0.00 0.00 66.70 66.59 3fbi h VAL 28 Cb -0.10 1.03 0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3fbi h VAL 28 CO -0.07 0.31 -1.61 -0.33 0.02 0.00 0.00 177.57 175.89 3fbi h GLU 29 N 0.52 0.45 -0.23 1.57 5.08 -0.79 -1.61 114.58 119.57 3fbi h GLU 29 Ca 0.10 -0.78 0.03 0.00 -1.00 0.00 0.00 59.36 57.71 3fbi h GLU 29 Cb 0.43 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3fbi h GLU 29 CO 0.02 1.37 0.06 1.25 -1.00 0.00 0.00 179.01 180.71 3fbi h LEU 30 N 0.12 0.04 -0.67 1.33 5.85 -1.32 0.48 115.31 121.14 3fbi h LEU 30 Ca -0.30 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3fbi h LEU 30 Cb 2.13 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 43.14 3fbi h LEU 30 CO 0.22 0.05 0.38 -0.33 -0.34 0.00 0.00 178.44 178.43 3fbi h GLU 31 N 0.15 0.69 -0.06 1.25 5.08 -1.30 -2.74 114.58 117.65 3fbi h GLU 31 Ca 0.10 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3fbi h GLU 31 Cb 0.09 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3fbi h GLU 31 CO -0.13 0.45 -0.28 0.35 -1.00 0.00 0.00 179.01 178.41 3fbi h PHE 32 N 0.71 0.39 -0.78 4.33 3.57 -0.67 -2.34 116.94 122.15 3fbi h PHE 32 Ca 0.29 -0.17 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3fbi h PHE 32 Cb 0.16 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 3fbi h PHE 32 CO -0.07 0.90 0.51 0.97 -2.23 0.00 0.00 178.31 178.39 3fbi h ILE 33 N -0.24 1.08 0.00 1.41 2.10 -0.09 -1.74 117.51 120.03 3fbi h ILE 33 Ca -0.02 -0.31 -0.09 0.00 1.08 0.00 0.00 64.86 65.52 3fbi h ILE 33 Cb 0.94 0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.76 3fbi h ILE 33 CO 0.06 0.16 -0.44 1.56 -1.08 0.00 0.00 178.15 178.41 3fbi h GLN 34 N 0.90 0.00 0.00 2.19 4.20 -1.38 -2.47 115.11 118.55 3fbi h GLN 34 Ca 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 3fbi h GLN 34 Cb 0.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3fbi h GLN 34 CO -0.10 0.44 -0.03 0.66 -0.67 0.00 0.00 178.83 179.13 3fbi h SER 35 N 0.00 0.00 0.17 1.46 4.64 -0.74 -2.01 113.55 117.06 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 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3fbi h SER 35 CO 0.06 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 3fbi n LEU 36 N -3.29 0.00 0.12 5.97 4.77 -0.93 -1.90 117.00 121.74 3fbi n LEU 36 Ca -0.02 0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3fbi n LEU 36 Cb 0.16 -0.16 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 3fbi n LEU 36 CO 0.25 -0.08 0.88 0.00 -1.33 0.00 0.00 177.39 177.11 3fbi h ALA 37 N 2.88 1.00 -1.88 -1.18 0.00 -1.54 -3.41 119.26 115.12 3fbi h ALA 37 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3fbi h ALA 37 Cb 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.73 3fbi h ALA 37 CO 0.00 0.00 0.38 1.21 0.00 0.00 0.00 179.25 180.84 3fbi s ASN 38 N -4.63 6.28 0.23 0.00 3.84 -0.80 -4.84 114.94 115.02 3fbi s ASN 38 Ca 0.09 -0.64 -0.07 0.00 0.21 0.00 0.00 52.86 52.46 3fbi s ASN 38 Cb 0.11 -2.38 0.41 0.00 -0.55 0.00 0.00 41.25 38.84 3fbi s ASN 38 CO 0.56 -1.14 1.69 0.40 -2.79 0.00 0.00 177.10 175.82 3fbi h ILE 39 N 5.96 0.54 -0.69 -5.21 1.08 -1.88 -1.52 117.51 115.79 3fbi h ILE 39 Ca -0.27 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.18 3fbi h ILE 39 Cb 1.08 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 3fbi h ILE 39 CO 1.06 0.05 0.38 1.56 -0.69 0.00 0.00 178.15 180.51 3fbi h GLN 40 N 0.25 0.67 -0.06 2.37 1.08 -1.96 -0.81 115.11 116.65 3fbi h GLN 40 Ca 0.38 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 3fbi h GLN 40 Cb 0.64 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3fbi h GLN 40 CO -0.49 0.44 -0.00 -0.92 -0.95 0.00 0.00 178.83 176.91 3fbi h TYR 41 N 0.69 0.12 -0.99 2.96 3.20 -1.64 -0.07 116.97 121.24 3fbi h TYR 41 Ca 0.32 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.34 3fbi h TYR 41 Cb 0.23 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.37 3fbi h TYR 41 CO -0.08 0.39 0.62 0.28 -1.64 0.00 0.00 178.16 177.72 3fbi h VAL 42 N -0.18 0.77 -0.06 1.81 2.07 -1.23 -0.60 116.25 118.82 3fbi h VAL 42 Ca 0.02 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3fbi h VAL 42 Cb 0.34 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3fbi h VAL 42 CO 0.00 0.14 0.04 0.74 0.02 0.00 0.00 177.57 178.52 3fbi h THR 43 N 0.79 1.02 -0.14 2.57 2.02 -0.63 -0.25 112.91 118.29 3fbi h THR 43 Ca 0.54 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.73 3fbi h THR 43 Cb 0.80 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3fbi h THR 43 CO -0.32 0.01 0.10 0.22 0.37 0.00 0.00 175.52 175.91 3fbi h TYR 44 N 0.08 0.00 0.09 3.16 5.03 0.50 -1.40 116.97 124.43 3fbi h TYR 44 Ca 0.02 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 3fbi h TYR 44 Cb -0.01 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.27 3fbi h TYR 44 CO -0.08 0.00 -0.04 -0.07 -1.32 0.00 0.00 178.16 176.65 3fbi h LEU 45 N 0.00 -0.10 -1.78 2.82 3.38 -1.05 -3.22 115.31 115.37 3fbi h LEU 45 Ca 0.06 -0.29 0.39 0.00 0.09 0.00 0.00 57.88 58.12 3fbi h LEU 45 Cb 0.27 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3fbi h LEU 45 CO -0.00 0.52 0.92 -0.07 0.09 0.00 0.00 178.44 179.89 3fbi h LEU 46 N -0.99 0.13 -3.71 1.67 3.38 -0.53 0.45 115.31 115.71 3fbi h LEU 46 Ca -0.01 0.04 -0.43 0.00 0.09 0.00 0.00 57.88 57.57 3fbi h LEU 46 Cb 0.39 0.02 -0.25 0.00 0.09 0.00 0.00 40.66 40.92 3fbi h LEU 46 CO 0.02 -0.01 0.20 0.35 0.09 0.00 0.00 178.44 179.08 3fbi n THR 47 N -4.31 2.95 -2.28 0.22 -2.24 -0.57 -4.55 114.28 103.51 3fbi n THR 47 Ca 0.31 -2.82 -0.27 0.00 -2.27 0.00 0.00 64.05 59.00 3fbi n THR 47 Cb 1.34 -0.66 0.16 0.00 -2.10 0.00 0.00 70.33 69.07 3fbi n THR 47 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fbi s GLN 48 N -3.45 0.96 0.03 -0.78 -1.52 0.16 -4.99 119.66 110.08 3fbi s GLN 48 Ca 0.53 -0.87 -0.02 0.00 -1.95 0.00 0.00 55.36 53.05 3fbi s GLN 48 Cb 0.45 -2.08 -0.01 0.00 -0.22 0.00 0.00 33.01 31.16 3fbi s GLN 48 CO 0.03 -2.06 -0.04 1.04 -0.25 0.00 0.00 175.29 174.01 3fbi n GLN 49 N -3.37 0.06 -0.24 2.91 3.00 -1.26 -4.50 117.38 113.98 3fbi n GLN 49 Ca 0.17 0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 57.15 3fbi n GLN 49 Cb 0.60 -0.45 0.08 0.00 0.00 0.00 0.00 30.24 30.47 3fbi n GLN 49 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 3fbi h GLN 50 N -0.11 0.76 0.00 -1.09 5.75 -1.91 -2.93 115.11 115.58 3fbi h GLN 50 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3fbi h GLN 50 Cb 0.11 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.49 3fbi h GLN 50 CO 0.00 0.51 0.00 0.44 -2.65 0.00 0.00 178.83 177.13 3fbi n ILE 51 N -4.71 1.03 0.62 2.39 -5.35 -1.26 -1.69 119.36 110.39 3fbi n ILE 51 Ca 0.07 0.26 0.06 0.00 -0.27 0.00 0.00 62.75 62.87 3fbi n ILE 51 Cb 0.11 -1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 36.91 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 -1.46 0.00 0.20 4.28 7.02 -1.11 -4.31 117.44 122.06 3fbi n TRP 52 Ca 0.04 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.37 3fbi n TRP 52 Cb 0.14 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.96 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 0.32 -0.63 -5.79 -0.99 1.57 -1.39 -3.43 116.57 106.23 3fbi h LYS 53 Ca 0.00 0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 58.17 3fbi h LYS 53 Cb 0.34 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 3fbi h LYS 53 CO 0.00 -0.42 -0.50 -1.54 -0.57 0.00 0.00 179.45 176.42 3fbi s SER 54 N -4.66 6.28 0.00 0.86 1.04 -1.26 -5.00 113.70 110.98 3fbi s SER 54 Ca -0.16 0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.66 3fbi s SER 54 Cb 0.06 -1.97 0.17 0.00 0.10 0.00 0.00 66.02 64.39 3fbi s SER 54 CO 0.64 0.30 1.11 -0.81 0.98 0.00 0.00 173.24 175.45 3fbi n PRO 55 N 1.21 0.01 -0.02 4.02 -0.04 -1.26 -3.99 135.00 134.93 3fbi n PRO 55 Ca -0.13 0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3fbi n PRO 55 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 3fbi n PRO 55 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3fbi h ASN 56 N 0.00 -1.58 -0.45 3.54 4.21 -1.94 0.13 115.58 119.47 3fbi h ASN 56 Ca 0.00 0.19 0.04 0.00 1.21 0.00 0.00 56.30 57.74 3fbi h ASN 56 Cb 0.07 0.62 -0.04 0.00 -1.12 0.00 0.00 38.32 37.85 3fbi h ASN 56 CO 0.00 -0.43 0.22 0.15 -1.29 0.00 0.00 177.43 176.07 3fbi h PHE 57 N -0.51 0.40 -0.81 1.19 3.57 -1.75 0.11 116.94 119.12 3fbi h PHE 57 Ca 0.03 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.69 3fbi h PHE 57 Cb 0.61 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.15 3fbi h PHE 57 CO -0.59 0.19 0.40 -0.22 -2.23 0.00 0.00 178.31 175.87 3fbi h LYS 58 N 0.43 0.58 -0.10 1.11 3.64 -1.69 -0.93 116.57 119.62 3fbi h LYS 58 Ca 0.20 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.37 3fbi h LYS 58 Cb 0.12 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3fbi h LYS 58 CO -0.15 0.38 -0.67 -0.91 -2.27 0.00 0.00 179.45 175.83 3fbi h ASN 59 N 0.60 0.47 -0.18 4.20 2.35 0.33 -2.92 115.58 120.43 3fbi h ASN 59 Ca 0.44 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3fbi h ASN 59 Cb 0.60 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3fbi h ASN 59 CO -0.35 1.01 0.12 0.22 -1.65 0.00 0.00 177.43 176.78 3fbi h TYR 60 N 0.29 0.22 -0.29 1.19 3.20 -0.10 -1.23 116.97 120.26 3fbi h TYR 60 Ca -0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3fbi h TYR 60 Cb 1.23 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3fbi h TYR 60 CO 0.04 0.14 0.13 -0.07 -1.64 0.00 0.00 178.16 176.76 3fbi h LEU 61 N 0.24 0.35 -0.23 2.82 3.38 -1.10 -1.23 115.31 119.54 3fbi h LEU 61 Ca 0.07 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 3fbi h LEU 61 Cb -0.03 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3fbi h LEU 61 CO -0.01 0.31 -0.81 0.50 0.09 0.00 0.00 178.44 178.51 3fbi h LYS 62 N 0.40 0.61 -0.46 1.13 3.64 -1.29 -2.87 116.57 117.72 3fbi h LYS 62 Ca 0.10 -0.53 0.09 0.00 -1.27 0.00 0.00 60.65 59.04 3fbi h LYS 62 Cb 0.06 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3fbi h LYS 62 CO -0.01 1.15 0.31 -0.92 -2.27 0.00 0.00 179.45 177.71 3fbi h TYR 63 N 0.40 0.26 0.00 1.91 5.03 -0.47 -2.45 116.97 121.66 3fbi h TYR 63 Ca -0.06 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.26 3fbi h TYR 63 Cb 1.43 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.62 3fbi h TYR 63 CO 0.07 0.13 0.00 1.28 -1.32 0.00 0.00 178.16 178.32 3fbi n LEU 64 N -4.46 0.03 0.00 2.82 4.77 -0.54 -2.51 117.00 117.11 3fbi n LEU 64 Ca 0.07 0.51 0.05 0.00 -0.03 0.00 0.00 56.01 56.61 3fbi n LEU 64 Cb 0.35 -0.50 0.31 0.00 -2.33 0.00 0.00 43.42 41.25 3fbi n LEU 64 CO 0.35 -0.19 0.53 -0.62 -1.33 0.00 0.00 177.39 176.12 3fbi n GLU 65 N -1.53 0.35 0.31 3.23 1.02 -0.92 -1.76 120.64 121.32 3fbi n GLU 65 Ca 0.04 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.37 3fbi n GLU 65 Cb 0.22 -1.48 0.97 0.00 -0.02 0.00 0.00 31.44 31.13 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 -1.73 -1.90 116.97 113.02 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 0.02 0.00 0.91 -0.00 0.00 0.00 178.16 179.09 3fbi n TRP 67 N -3.26 0.83 0.85 0.10 7.02 -0.72 -3.51 117.44 118.75 3fbi n TRP 67 Ca -0.02 0.27 0.12 0.00 -1.02 0.00 0.00 57.50 56.86 3fbi n TRP 67 Cb 0.16 -0.94 0.53 0.00 -2.42 0.00 0.00 31.31 28.65 3fbi n TRP 67 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3fbi s ASN 69 N -3.15 3.16 0.65 0.00 -0.87 -1.23 -4.77 114.94 108.72 3fbi s ASN 69 Ca 0.12 -1.01 -0.16 0.00 -1.57 0.00 0.00 52.86 50.24 3fbi s ASN 69 Cb 0.16 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.25 41.16 3fbi s ASN 69 CO 0.48 -0.04 1.13 -2.16 -2.57 0.00 0.00 177.10 173.94 3fbi s PRO 70 N -3.47 2.81 0.00 -0.60 0.04 -1.26 -1.03 135.00 131.49 3fbi s PRO 70 Ca 0.26 1.49 0.29 0.00 0.04 0.00 0.00 61.00 63.08 3fbi s PRO 70 Cb -0.04 -1.94 1.45 0.00 0.04 0.00 0.00 34.50 34.01 3fbi s PRO 70 CO 0.11 -1.26 1.99 -0.35 0.04 0.00 0.00 177.00 177.53 3fbi n PRO 71 N -2.24 0.41 0.12 0.56 -0.05 -1.26 -4.83 135.00 127.70 3fbi n PRO 71 Ca 0.11 0.01 -0.13 0.00 -0.05 0.00 0.00 63.50 63.44 3fbi n PRO 71 Cb 0.51 -1.50 -0.07 0.00 -0.05 0.00 0.00 33.50 32.40 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 0.00 -0.28 -0.28 0.54 -1.99 -1.55 -2.46 116.97 110.95 3fbi h TYR 72 Ca 0.00 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.81 3fbi h TYR 72 Cb 0.27 0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 3fbi h TYR 72 CO 0.00 -0.17 0.35 0.66 -0.00 0.00 0.00 178.16 179.00 3fbi h SER 73 N -0.27 0.00 0.26 3.88 4.64 -0.36 0.13 113.55 121.84 3fbi h SER 73 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fbi h SER 73 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3fbi h SER 73 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3fbi n GLN 74 N -3.62 0.35 0.00 4.77 6.02 -0.92 -1.94 117.38 122.04 3fbi n GLN 74 Ca 0.04 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.22 3fbi n GLN 74 Cb 0.49 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.14 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 -3.23 3.78 -0.04 0.00 -1.09 -0.82 -4.89 121.20 114.92 3fbi s ILE 76 Ca 0.01 0.88 0.09 0.00 -2.23 0.00 0.00 60.65 59.40 3fbi s ILE 76 Cb 0.15 -3.78 -0.23 0.00 -1.58 0.00 0.00 42.46 37.02 3fbi s ILE 76 CO 0.87 -0.31 0.69 0.58 -1.23 0.00 0.00 174.94 175.54 3fbi h VAL 77 N 6.07 0.90 -3.62 2.92 2.07 -1.92 -3.42 116.25 119.26 3fbi h VAL 77 Ca -0.32 -2.72 -0.76 0.00 0.82 0.00 0.00 66.70 63.72 3fbi h VAL 77 Cb 1.14 2.48 -0.30 0.00 -1.52 0.00 0.00 31.29 33.09 3fbi h VAL 77 CO 1.00 0.59 0.04 -0.31 0.02 0.00 0.00 177.57 178.91 3fbi s TYR 78 N -2.60 3.82 0.48 1.57 2.02 -1.26 -4.94 117.35 116.43 3fbi s TYR 78 Ca -0.07 -2.50 0.13 0.00 -0.37 0.00 0.00 57.07 54.26 3fbi s TYR 78 Cb 0.08 -3.58 1.12 0.00 -0.40 0.00 0.00 41.96 39.18 3fbi s TYR 78 CO 0.82 -0.90 2.11 -1.35 -1.57 0.00 0.00 175.55 174.66 3fbi h PRO 79 N 7.04 0.20 -0.48 -1.71 0.11 -1.98 -2.39 132.00 132.77 3fbi h PRO 79 Ca 0.11 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.30 3fbi h PRO 79 Cb 0.94 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3fbi h PRO 79 CO 0.82 0.13 0.33 -0.91 -0.21 0.00 0.00 178.00 178.16 3fbi h ASN 80 N 0.21 0.21 0.06 -2.05 2.35 -1.95 -2.26 115.58 112.15 3fbi h ASN 80 Ca 0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3fbi h ASN 80 Cb 0.00 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3fbi h ASN 80 CO -0.01 0.12 -0.07 0.00 -1.65 0.00 0.00 177.43 175.82 3fbi h LEU 82 N 0.02 0.90 -0.06 0.00 3.38 -1.60 0.07 115.31 118.02 3fbi h LEU 82 Ca 0.01 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3fbi h LEU 82 Cb 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3fbi h LEU 82 CO 0.01 1.23 0.01 0.15 0.09 0.00 0.00 178.44 179.92 3fbi h PHE 83 N 0.59 0.12 -0.45 1.13 3.57 -1.30 -1.99 116.94 118.61 3fbi h PHE 83 Ca 0.03 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3fbi h PHE 83 Cb 1.03 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 3fbi h PHE 83 CO 0.07 0.35 0.17 0.82 -2.23 0.00 0.00 178.31 177.49 3fbi h ILE 84 N -0.15 1.18 0.01 1.41 2.04 -0.97 -0.67 117.51 120.35 3fbi h ILE 84 Ca 0.02 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3fbi h ILE 84 Cb 0.30 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3fbi h ILE 84 CO 0.00 0.22 -0.00 0.25 0.00 0.00 0.00 178.15 178.62 3fbi h LEU 85 N 0.64 -0.01 -0.23 1.44 5.85 -0.84 0.31 115.31 122.48 3fbi h LEU 85 Ca 0.15 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3fbi h LEU 85 Cb 0.15 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3fbi h LEU 85 CO -0.01 0.06 -0.11 0.11 -0.34 0.00 0.00 178.44 178.15 3fbi h LYS 86 N -0.07 -0.07 0.28 1.25 1.79 -0.74 0.35 116.57 119.35 3fbi h LYS 86 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3fbi h LYS 86 Cb 0.07 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 3fbi h LYS 86 CO 0.00 -0.05 -0.27 -0.07 -1.08 0.00 0.00 179.45 177.98 3fbi h LEU 87 N -0.08 -0.72 -0.94 2.94 3.38 -1.04 -1.32 115.31 117.53 3fbi h LEU 87 Ca 0.12 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.30 3fbi h LEU 87 Cb 0.26 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 3fbi h LEU 87 CO -0.28 -0.39 0.55 0.25 0.09 0.00 0.00 178.44 178.66 3fbi h LEU 88 N -0.58 0.74 0.12 1.67 5.85 0.28 -0.45 115.31 122.95 3fbi h LEU 88 Ca -0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3fbi h LEU 88 Cb 0.53 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3fbi h LEU 88 CO -0.05 0.34 -0.06 0.78 -0.34 0.00 0.00 178.44 179.11 3fbi h ASN 89 N 0.80 -0.14 -0.88 1.25 2.35 -0.06 -3.22 115.58 115.68 3fbi h ASN 89 Ca 0.50 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3fbi h ASN 89 Cb 0.64 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.00 3fbi h ASN 89 CO -0.33 0.27 0.55 1.23 -1.65 0.00 0.00 177.43 177.50 3fbi h GLY 90 N -0.58 1.26 -1.74 2.83 0.00 -0.73 -2.92 103.07 101.20 3fbi h GLY 90 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3fbi h GLY 90 CO 0.03 0.49 0.00 0.33 0.00 0.00 0.00 176.54 177.39 3fbi n PHE 91 N -4.37 0.00 0.00 5.60 7.35 -0.22 -3.92 117.46 121.90 3fbi n PHE 91 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 3fbi n PHE 91 Cb 0.05 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 0.69 0.00 0.00 -4.13 1.02 -1.10 -1.03 120.64 116.09 3fbi n GLU 93 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3fbi n GLU 93 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.62 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 2.09 -4.75 1.62 3.41 -1.25 -4.93 113.62 109.81 3fbi n SER 94 Ca 0.00 -1.58 -0.41 0.00 -0.26 0.00 0.00 58.87 56.62 3fbi n SER 94 Cb 0.00 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.22 3.51 -0.20 7.33 0.00 -0.20 -4.98 121.76 125.00 3fbi s ALA 95 Ca 0.27 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 3fbi s ALA 95 Cb 0.20 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3fbi s ALA 95 CO 0.42 -0.54 0.28 0.42 0.00 0.00 0.00 175.76 176.34 3fbi s ILE 96 N -0.55 5.29 -0.32 0.00 1.01 -1.26 -5.02 121.20 120.36 3fbi s ILE 96 Ca 0.52 0.47 -0.16 0.00 0.00 0.00 0.00 60.65 61.49 3fbi s ILE 96 Cb -0.38 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3fbi s ILE 96 CO 0.45 0.33 0.40 -0.69 0.00 0.00 0.00 174.94 175.43 3fbi s VAL 97 N 0.91 5.13 1.19 2.92 1.01 -1.26 -0.60 120.40 129.70 3fbi s VAL 97 Ca 0.14 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 3fbi s VAL 97 Cb -0.14 -3.82 0.23 0.00 0.00 0.00 0.00 36.38 32.65 3fbi s VAL 97 CO 0.05 -0.04 0.51 -3.20 0.00 0.00 0.00 175.10 172.42 3fbi n ASN 98 N 5.46 -2.58 0.06 3.32 5.15 0.25 -4.91 115.26 122.00 3fbi n ASN 98 Ca -0.08 -0.31 -0.08 0.00 -0.60 0.00 0.00 54.58 53.51 3fbi n ASN 98 Cb 0.50 -1.03 0.07 0.00 -0.53 0.00 0.00 39.78 38.78 3fbi n ASN 98 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3fbi h GLU 99 N -2.64 0.35 0.03 1.20 5.08 -1.98 -3.22 114.58 113.41 3fbi h GLU 99 Ca -0.52 -0.26 -0.23 0.00 -1.00 0.00 0.00 59.36 57.35 3fbi h GLU 99 Cb 1.28 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 3fbi h GLU 99 CO 0.37 0.89 -0.99 -0.44 -1.00 0.00 0.00 179.01 177.84 3fbi h ASP 100 N 0.25 0.42 0.00 1.42 3.32 -1.96 -3.47 116.42 116.40 3fbi h ASP 100 Ca -0.01 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3fbi h ASP 100 Cb 1.20 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3fbi h ASP 100 CO 0.11 1.19 0.00 0.61 -1.72 0.00 0.00 179.24 179.43 3fbi n GLY 101 N 1.06 1.28 3.58 2.75 0.00 -1.22 -4.68 105.19 107.96 3fbi n GLY 101 Ca -0.06 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.37 3fbi n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fbi n LEU 102 N 0.00 0.68 -4.62 0.99 7.94 -1.26 -4.61 117.00 116.12 3fbi n LEU 102 Ca 0.00 1.15 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 3fbi n LEU 102 Cb 0.00 -0.97 -0.02 0.00 0.53 0.00 0.00 43.42 42.95 3fbi n LEU 102 CO 0.00 -1.45 1.02 -0.76 -1.11 0.00 0.00 177.39 175.09 3fbi s LEU 103 N 0.91 3.79 0.14 -1.96 1.43 -1.26 -0.59 118.68 121.14 3fbi s LEU 103 Ca 0.93 0.84 -0.24 0.00 -1.03 0.00 0.00 54.13 54.62 3fbi s LEU 103 Cb -1.25 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 41.43 3fbi s LEU 103 CO 0.61 -1.08 1.62 -0.08 0.23 0.00 0.00 176.35 177.64 3fbi h GLU 104 N 8.82 -0.31 0.00 1.70 4.81 -1.19 -2.34 114.58 126.07 3fbi h GLU 104 Ca -0.23 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3fbi h GLU 104 Cb 1.07 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3fbi h GLU 104 CO 1.07 -0.21 0.00 0.41 -0.73 0.00 0.00 179.01 179.55 3fbi n GLY 105 N -1.40 -0.10 0.00 1.92 0.00 -1.26 -1.74 105.19 102.61 3fbi n GLY 105 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.68 0.36 -0.17 0.99 4.77 -0.88 -4.82 117.00 116.57 3fbi n LEU 106 Ca 0.01 -0.56 0.23 0.00 -0.03 0.00 0.00 56.01 55.65 3fbi n LEU 106 Cb 0.00 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.72 3fbi n LEU 106 CO 0.01 0.09 1.23 -2.24 -1.33 0.00 0.00 177.39 175.15 3fbi h ASP 107 N 0.00 0.18 0.03 -1.43 2.03 -1.40 -1.04 116.42 114.79 3fbi h ASP 107 Ca 0.00 0.02 -0.18 0.00 -0.73 0.00 0.00 57.03 56.14 3fbi h ASP 107 Cb 0.06 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3fbi h ASP 107 CO 0.00 0.07 -0.64 1.05 -1.03 0.00 0.00 179.24 178.69 3fbi h GLU 108 N 0.18 0.59 -7.31 4.15 4.11 -1.88 -3.44 114.58 110.97 3fbi h GLU 108 Ca 0.41 -0.42 -0.51 0.00 0.07 0.00 0.00 59.36 58.91 3fbi h GLU 108 Cb 1.33 0.07 0.09 0.00 0.50 0.00 0.00 28.75 30.74 3fbi h GLU 108 CO -0.08 1.04 0.37 -0.51 0.07 0.00 0.00 179.01 179.90 3fbi s LEU 109 N -8.28 3.20 0.00 3.06 1.43 -0.40 -5.28 118.68 112.42 3fbi s LEU 109 Ca -0.08 1.64 0.06 0.00 -1.03 0.00 0.00 54.13 54.72 3fbi s LEU 109 Cb 0.10 -4.50 0.36 0.00 0.03 0.00 0.00 46.19 42.18 3fbi s LEU 109 CO 0.86 -1.35 0.83 -2.65 0.23 0.00 0.00 176.35 174.26