#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fx1 s LYS 3 N 0.00 1.07 0.13 -0.52 1.02 -1.26 -0.37 119.74 119.82 1fx1 s LYS 3 Ca 0.00 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.06 1fx1 s LYS 3 Cb 0.00 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1fx1 s LYS 3 CO 0.00 -0.78 -0.02 0.00 -0.92 0.00 0.00 175.35 173.63 1fx1 s ALA 4 N 1.52 3.20 0.03 5.17 0.00 -0.49 0.15 121.76 131.34 1fx1 s ALA 4 Ca 0.03 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 50.82 1fx1 s ALA 4 Cb -0.18 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1fx1 s ALA 4 CO -0.14 0.61 -0.19 -1.17 0.00 0.00 0.00 175.76 174.87 1fx1 s LEU 5 N -2.54 2.13 -0.05 0.00 2.96 0.11 -2.67 118.68 118.62 1fx1 s LEU 5 Ca 0.26 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1fx1 s LEU 5 Cb -0.11 -0.90 0.03 0.00 0.50 0.00 0.00 46.19 45.71 1fx1 s LEU 5 CO 0.18 0.16 0.02 -0.63 -1.32 0.00 0.00 176.35 174.76 1fx1 s ILE 6 N -0.72 0.15 -0.09 6.68 1.01 -1.13 0.14 121.20 127.25 1fx1 s ILE 6 Ca 0.06 0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.98 1fx1 s ILE 6 Cb -0.08 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.06 1fx1 s ILE 6 CO 0.01 0.21 -0.19 -0.69 0.00 0.00 0.00 174.94 174.27 1fx1 s VAL 7 N 1.88 1.70 0.05 2.92 1.01 -1.11 0.07 120.40 126.92 1fx1 s VAL 7 Ca 0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1fx1 s VAL 7 Cb -0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1fx1 s VAL 7 CO -0.04 0.48 0.04 -0.72 0.00 0.00 0.00 175.10 174.87 1fx1 s TYR 8 N 0.48 0.33 -0.19 5.22 -0.85 -1.14 -3.12 117.35 118.08 1fx1 s TYR 8 Ca -0.17 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.63 1fx1 s TYR 8 Cb -0.17 -0.24 0.04 0.00 0.38 0.00 0.00 41.96 41.97 1fx1 s TYR 8 CO 0.07 -0.37 -0.08 0.20 -1.52 0.00 0.00 175.55 173.84 1fx1 s GLY 9 N -2.47 1.13 -0.07 5.49 0.00 -1.24 -4.38 107.32 105.78 1fx1 s GLY 9 Ca -0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 44.72 43.67 1fx1 s GLY 9 CO -0.07 0.81 -0.03 -0.45 0.00 0.00 0.00 173.10 173.36 1fx1 s SER 10 N 1.50 1.57 -0.13 1.64 0.15 -1.26 -2.84 113.70 114.33 1fx1 s SER 10 Ca -0.01 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.44 1fx1 s SER 10 Cb -0.16 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.59 1fx1 s SER 10 CO -0.08 -0.14 -0.12 0.74 1.20 0.00 0.00 173.24 174.84 1fx1 h THR 11 N 6.24 0.00 -0.02 6.45 2.02 -1.99 -3.42 112.91 122.20 1fx1 h THR 11 Ca -0.26 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1fx1 h THR 11 Cb 1.13 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1fx1 h THR 11 CO 0.35 0.00 -0.42 0.35 0.37 0.00 0.00 175.52 176.16 1fx1 n THR 12 N -4.65 0.00 0.00 3.16 -2.24 -1.26 -5.00 114.28 104.28 1fx1 n THR 12 Ca -0.05 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1fx1 n THR 12 Cb 0.17 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1fx1 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fx1 n GLY 13 N 1.41 1.96 0.24 3.38 0.00 -1.26 -4.98 105.19 105.94 1fx1 n GLY 13 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1fx1 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1fx1 h ASN 14 N 0.00 0.68 0.62 1.61 2.35 -1.96 0.40 115.58 119.28 1fx1 h ASN 14 Ca 0.00 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1fx1 h ASN 14 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1fx1 h ASN 14 CO 0.00 0.53 -0.36 0.74 -1.65 0.00 0.00 177.43 176.69 1fx1 h THR 15 N 0.78 1.00 -0.07 2.81 2.02 -1.94 -2.01 112.91 115.50 1fx1 h THR 15 Ca 0.21 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 1fx1 h THR 15 Cb -0.04 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1fx1 h THR 15 CO -0.04 0.36 -0.19 -0.08 0.37 0.00 0.00 175.52 175.94 1fx1 h GLU 16 N 0.00 0.25 -0.43 6.66 4.81 -1.70 -2.28 114.58 121.90 1fx1 h GLU 16 Ca -0.00 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1fx1 h GLU 16 Cb 0.77 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 1fx1 h GLU 16 CO 0.05 0.79 0.09 -0.92 -0.73 0.00 0.00 179.01 178.28 1fx1 h TYR 17 N -0.25 0.15 -0.33 0.92 3.20 -0.82 -0.56 116.97 119.27 1fx1 h TYR 17 Ca -0.00 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.95 1fx1 h TYR 17 Cb 0.79 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1fx1 h TYR 17 CO 0.12 0.01 -0.01 1.15 -1.64 0.00 0.00 178.16 177.80 1fx1 h THR 18 N 0.22 0.75 -0.34 1.81 2.02 -1.38 -1.50 112.91 114.49 1fx1 h THR 18 Ca 0.21 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 1fx1 h THR 18 Cb 0.26 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1fx1 h THR 18 CO -0.27 0.02 -0.07 0.00 0.37 0.00 0.00 175.52 175.56 1fx1 h ALA 19 N 1.29 0.47 0.00 6.16 0.00 -0.76 -1.77 119.26 124.66 1fx1 h ALA 19 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1fx1 h ALA 19 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1fx1 h ALA 19 CO -0.28 0.30 0.00 1.05 0.00 0.00 0.00 179.25 180.32 1fx1 h GLU 20 N 0.43 0.00 0.11 0.00 4.11 -0.93 0.52 114.58 118.83 1fx1 h GLU 20 Ca 0.09 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.25 1fx1 h GLU 20 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1fx1 h GLU 20 CO 0.03 0.00 -1.20 1.15 0.07 0.00 0.00 179.01 179.06 1fx1 h THR 21 N 0.00 1.51 -0.11 -1.06 2.02 -0.92 -1.65 112.91 112.70 1fx1 h THR 21 Ca 0.00 -3.05 -0.06 0.00 0.77 0.00 0.00 66.41 64.07 1fx1 h THR 21 Cb 0.43 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1fx1 h THR 21 CO 0.00 0.89 -0.17 0.40 0.37 0.00 0.00 175.52 177.01 1fx1 h ILE 22 N 0.08 1.38 0.08 3.11 2.04 -0.28 -3.04 117.51 120.87 1fx1 h ILE 22 Ca -0.12 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 1fx1 h ILE 22 Cb 1.93 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 40.06 1fx1 h ILE 22 CO 0.20 0.40 -0.04 0.00 0.00 0.00 0.00 178.15 178.71 1fx1 h ALA 23 N 0.54 -0.11 -0.30 1.87 0.00 -0.03 -1.39 119.26 119.84 1fx1 h ALA 23 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1fx1 h ALA 23 Cb 0.73 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1fx1 h ALA 23 CO 0.04 -0.53 0.20 -0.09 0.00 0.00 0.00 179.25 178.87 1fx1 h ARG 24 N -0.17 0.23 0.00 0.00 2.43 -1.40 0.15 114.38 115.62 1fx1 h ARG 24 Ca -0.01 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1fx1 h ARG 24 Cb 0.14 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1fx1 h ARG 24 CO 0.02 0.15 -0.70 1.96 -1.51 0.00 0.00 179.97 179.88 1fx1 h GLN 25 N 0.23 0.00 0.20 0.20 1.08 -1.39 -1.85 115.11 113.58 1fx1 h GLN 25 Ca 0.13 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1fx1 h GLN 25 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1fx1 h GLN 25 CO -0.02 0.70 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.39 1fx1 h LEU 26 N 0.00 -0.23 -0.92 1.46 4.07 0.40 -2.99 115.31 117.11 1fx1 h LEU 26 Ca -0.01 -0.20 0.12 0.00 0.08 0.00 0.00 57.88 57.87 1fx1 h LEU 26 Cb 1.40 0.06 -0.08 0.00 1.08 0.00 0.00 40.66 43.11 1fx1 h LEU 26 CO 0.09 0.30 0.54 0.00 -1.08 0.00 0.00 178.44 178.29 1fx1 h ALA 27 N -0.71 1.37 0.00 1.53 0.00 -1.40 0.68 119.26 120.73 1fx1 h ALA 27 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1fx1 h ALA 27 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1fx1 h ALA 27 CO 0.05 0.11 0.00 -0.91 0.00 0.00 0.00 179.25 178.50 1fx1 h ASN 28 N 0.85 0.00 -0.13 0.00 2.35 -1.39 0.38 115.58 117.63 1fx1 h ASN 28 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 1fx1 h ASN 28 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1fx1 h ASN 28 CO -0.28 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.50 1fx1 n ALA 29 N -1.98 2.53 0.00 -0.83 0.00 0.24 -4.87 120.51 115.60 1fx1 n ALA 29 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1fx1 n ALA 29 Cb 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1fx1 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fx1 n GLY 30 N 1.17 1.01 2.29 0.00 0.00 0.13 -4.97 105.19 104.81 1fx1 n GLY 30 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1fx1 n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fx1 n TYR 31 N -1.97 -3.65 -3.92 1.61 0.53 -1.12 -4.58 117.16 104.06 1fx1 n TYR 31 Ca 0.00 -0.66 -0.30 0.00 -1.02 0.00 0.00 57.90 55.92 1fx1 n TYR 31 Cb 0.00 -0.72 -0.16 0.00 -1.03 0.00 0.00 39.34 37.44 1fx1 n TYR 31 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1fx1 s GLU 32 N -4.64 1.54 -0.05 -0.72 2.02 0.51 -4.68 118.70 112.67 1fx1 s GLU 32 Ca 0.46 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.58 1fx1 s GLU 32 Cb -0.04 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.71 1fx1 s GLU 32 CO 0.35 -0.58 -0.10 0.08 0.02 0.00 0.00 175.26 175.03 1fx1 s VAL 33 N 1.46 0.92 -0.35 2.63 1.01 -1.26 -1.39 120.40 123.41 1fx1 s VAL 33 Ca -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1fx1 s VAL 33 Cb -0.18 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.42 1fx1 s VAL 33 CO -0.07 0.30 0.10 -0.62 0.00 0.00 0.00 175.10 174.81 1fx1 s ASP 34 N 0.62 5.09 -0.21 3.32 -1.08 -1.09 -5.03 116.67 118.29 1fx1 s ASP 34 Ca -0.12 -1.58 -0.10 0.00 -0.52 0.00 0.00 52.55 50.23 1fx1 s ASP 34 Cb -0.14 -1.78 -0.05 0.00 -1.46 0.00 0.00 42.92 39.49 1fx1 s ASP 34 CO 0.02 -0.39 0.14 -0.94 0.52 0.00 0.00 175.17 174.53 1fx1 s SER 35 N 1.49 6.16 0.07 -0.34 1.04 -1.26 -2.83 113.70 118.04 1fx1 s SER 35 Ca 0.01 0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.68 1fx1 s SER 35 Cb -0.21 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 1fx1 s SER 35 CO -0.02 0.14 -0.15 -0.13 0.98 0.00 0.00 173.24 174.06 1fx1 s ARG 36 N 0.60 0.89 -0.15 4.02 0.52 0.11 -4.98 118.95 119.96 1fx1 s ARG 36 Ca 0.08 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 1fx1 s ARG 36 Cb -0.12 -0.95 -0.08 0.00 0.52 0.00 0.00 34.95 34.32 1fx1 s ARG 36 CO 0.00 0.22 0.03 0.22 0.02 0.00 0.00 175.30 175.79 1fx1 h ASP 37 N 4.32 0.00 0.00 0.23 1.82 -1.83 -3.03 116.42 117.92 1fx1 h ASP 37 Ca -0.42 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 1fx1 h ASP 37 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1fx1 h ASP 37 CO 0.40 0.87 0.00 0.00 -1.61 0.00 0.00 179.24 178.91 1fx1 n ALA 38 N -3.31 0.00 0.26 -0.78 0.00 -1.26 -3.92 120.51 111.50 1fx1 n ALA 38 Ca -0.11 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.48 1fx1 n ALA 38 Cb 0.31 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.31 1fx1 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fx1 h ALA 39 N 0.00 1.00 -0.36 0.00 0.00 -1.83 -2.88 119.26 115.19 1fx1 h ALA 39 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fx1 h ALA 39 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fx1 h ALA 39 CO 0.00 0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.74 1fx1 n SER 40 N -3.15 4.01 -4.64 0.00 7.64 -1.26 -4.94 113.62 111.28 1fx1 n SER 40 Ca 0.01 -2.72 -0.33 0.00 1.01 0.00 0.00 58.87 56.85 1fx1 n SER 40 Cb 0.37 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 1fx1 n SER 40 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1fx1 s VAL 41 N -2.30 3.92 -0.18 0.44 1.01 -1.09 -5.02 120.40 117.18 1fx1 s VAL 41 Ca 0.41 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1fx1 s VAL 41 Cb 0.30 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 34.01 1fx1 s VAL 41 CO 0.13 0.43 -0.13 -0.70 0.00 0.00 0.00 175.10 174.83 1fx1 s GLU 42 N -1.34 2.28 0.00 2.72 2.12 -1.26 -4.97 118.70 118.25 1fx1 s GLU 42 Ca 0.17 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1fx1 s GLU 42 Cb -0.11 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.95 1fx1 s GLU 42 CO 0.07 -0.32 0.02 0.00 -0.54 0.00 0.00 175.26 174.49 1fx1 n ALA 43 N 4.70 0.00 0.00 6.30 0.00 -1.26 -4.29 120.51 125.96 1fx1 n ALA 43 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1fx1 n ALA 43 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1fx1 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fx1 n GLY 44 N -0.44 0.00 2.03 0.00 0.00 -1.25 0.23 105.19 105.76 1fx1 n GLY 44 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1fx1 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fx1 n GLY 45 N 0.00 0.39 0.30 -0.02 0.00 0.41 -4.89 105.19 101.39 1fx1 n GLY 45 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1fx1 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fx1 n LEU 46 N -0.76 -0.35 0.16 0.99 0.00 0.64 -1.01 117.00 116.68 1fx1 n LEU 46 Ca -0.04 1.42 0.02 0.00 0.00 0.00 0.00 56.01 57.42 1fx1 n LEU 46 Cb 0.24 -0.41 0.25 0.00 0.00 0.00 0.00 43.42 43.51 1fx1 n LEU 46 CO 0.06 -1.35 0.59 -0.26 0.00 0.00 0.00 177.39 176.44 1fx1 h PHE 47 N 0.00 0.00 -1.81 1.96 0.04 -1.75 -3.46 116.94 111.92 1fx1 h PHE 47 Ca 0.37 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.47 1fx1 h PHE 47 Cb 0.58 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.77 1fx1 h PHE 47 CO -0.66 0.49 0.75 -1.91 -0.60 0.00 0.00 178.31 176.38 1fx1 n GLU 48 N -3.65 1.51 -0.47 1.51 2.13 -0.18 -2.47 120.64 119.03 1fx1 n GLU 48 Ca -0.01 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1fx1 n GLU 48 Cb 0.56 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 30.01 1fx1 n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fx1 n GLY 49 N 3.47 0.75 3.80 8.31 0.00 -1.26 -5.07 105.19 115.18 1fx1 n GLY 49 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1fx1 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fx1 s PHE 50 N -2.59 3.49 0.11 1.61 0.40 -1.03 -4.93 117.98 115.03 1fx1 s PHE 50 Ca 0.00 0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 56.60 1fx1 s PHE 50 Cb 0.00 -2.04 -0.07 0.00 0.51 0.00 0.00 43.02 41.42 1fx1 s PHE 50 CO 0.00 0.51 1.44 -0.44 0.70 0.00 0.00 175.22 177.43 1fx1 h ASP 51 N 5.80 0.79 -3.90 1.36 3.45 0.10 -3.44 116.42 120.58 1fx1 h ASP 51 Ca -0.48 -0.46 -0.37 0.00 0.43 0.00 0.00 57.03 56.16 1fx1 h ASP 51 Cb 1.19 -0.22 -0.29 0.00 -0.56 0.00 0.00 39.33 39.45 1fx1 h ASP 51 CO 0.66 1.08 -0.77 -0.22 -1.57 0.00 0.00 179.24 178.43 1fx1 s LEU 52 N -9.00 1.92 -0.07 1.55 0.20 -0.52 -4.47 118.68 108.29 1fx1 s LEU 52 Ca -0.12 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.60 1fx1 s LEU 52 Cb 0.09 -0.38 0.00 0.00 -0.43 0.00 0.00 46.19 45.48 1fx1 s LEU 52 CO 0.83 0.07 -0.17 -0.69 -0.29 0.00 0.00 176.35 176.10 1fx1 s VAL 53 N -0.02 1.50 -0.18 1.68 1.01 -0.13 0.05 120.40 124.32 1fx1 s VAL 53 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1fx1 s VAL 53 Cb -0.04 -1.31 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1fx1 s VAL 53 CO -0.00 0.43 -0.11 -0.76 0.00 0.00 0.00 175.10 174.67 1fx1 s LEU 54 N 0.35 1.99 0.18 3.92 1.43 0.38 -2.01 118.68 124.94 1fx1 s LEU 54 Ca -0.12 -0.73 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 1fx1 s LEU 54 Cb -0.15 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1fx1 s LEU 54 CO 0.05 -0.13 0.13 -0.22 0.23 0.00 0.00 176.35 176.41 1fx1 s LEU 55 N 1.46 3.75 -0.29 1.79 2.96 -0.33 -2.75 118.68 125.28 1fx1 s LEU 55 Ca 0.01 -0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 53.51 1fx1 s LEU 55 Cb -0.15 -2.35 0.14 0.00 0.50 0.00 0.00 46.19 44.34 1fx1 s LEU 55 CO -0.09 0.05 1.10 -0.83 -1.32 0.00 0.00 176.35 175.27 1fx1 s GLY 56 N -3.23 0.01 -0.22 7.98 0.00 -1.18 -1.89 107.32 108.79 1fx1 s GLY 56 Ca 0.31 2.99 -0.04 0.00 0.00 0.00 0.00 44.72 47.98 1fx1 s GLY 56 CO 0.23 2.06 0.18 0.00 0.00 0.00 0.00 173.10 175.58 1fx1 s SER 58 N 2.25 1.77 -0.04 0.00 1.04 -1.13 -4.33 113.70 113.26 1fx1 s SER 58 Ca 0.06 1.52 0.05 0.00 0.48 0.00 0.00 55.95 58.06 1fx1 s SER 58 Cb -0.16 -2.23 -0.00 0.00 0.10 0.00 0.00 66.02 63.73 1fx1 s SER 58 CO -0.17 -3.71 -0.18 -0.89 0.98 0.00 0.00 173.24 169.27 1fx1 s THR 59 N -2.64 1.49 0.01 2.02 2.01 -1.18 -2.84 115.64 114.52 1fx1 s THR 59 Ca 0.67 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1fx1 s THR 59 Cb -0.23 -1.27 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 1fx1 s THR 59 CO 0.62 0.43 0.00 0.79 -0.69 0.00 0.00 174.62 175.77 1fx1 n TRP 60 N 3.08 -0.00 0.00 4.92 7.02 -0.02 -4.92 117.44 127.52 1fx1 n TRP 60 Ca -0.18 -0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.24 1fx1 n TRP 60 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1fx1 n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fx1 n GLY 61 N 1.56 2.89 4.94 6.99 0.00 -1.26 -1.38 105.19 118.93 1fx1 n GLY 61 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1fx1 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fx1 n ASP 62 N 1.83 0.00 0.05 1.61 4.64 -1.26 -4.17 116.55 119.25 1fx1 n ASP 62 Ca 0.00 0.00 0.11 0.00 -1.38 0.00 0.00 54.79 53.52 1fx1 n ASP 62 Cb 0.00 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.12 1fx1 n ASP 62 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1fx1 n ASP 63 N 1.79 0.65 -3.97 1.67 3.85 -1.26 -4.43 116.55 114.85 1fx1 n ASP 63 Ca 0.00 0.02 -0.10 0.00 -0.71 0.00 0.00 54.79 54.00 1fx1 n ASP 63 Cb 0.00 0.62 -0.06 0.00 -1.35 0.00 0.00 41.12 40.33 1fx1 n ASP 63 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1fx1 s SER 64 N -4.39 -0.02 -0.26 -1.12 0.01 -1.26 -5.04 113.70 101.62 1fx1 s SER 64 Ca 0.03 -0.89 -0.19 0.00 1.31 0.00 0.00 55.95 56.21 1fx1 s SER 64 Cb 0.13 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.83 1fx1 s SER 64 CO 0.78 -0.98 0.55 -0.63 0.41 0.00 0.00 173.24 173.38 1fx1 s ILE 65 N -3.99 5.04 -0.06 1.44 1.01 -1.26 -4.24 121.20 119.14 1fx1 s ILE 65 Ca 0.20 0.96 0.02 0.00 0.00 0.00 0.00 60.65 61.82 1fx1 s ILE 65 Cb 0.02 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1fx1 s ILE 65 CO 0.03 0.06 -0.10 -0.70 0.00 0.00 0.00 174.94 174.24 1fx1 s GLU 66 N 2.38 1.41 0.50 2.79 2.12 -0.48 -4.98 118.70 122.44 1fx1 s GLU 66 Ca 0.23 -0.31 -0.22 0.00 0.36 0.00 0.00 54.97 55.03 1fx1 s GLU 66 Cb -0.16 -1.22 -0.06 0.00 0.26 0.00 0.00 34.13 32.95 1fx1 s GLU 66 CO 0.09 -0.01 1.18 -0.51 -0.54 0.00 0.00 175.26 175.47 1fx1 s LEU 67 N 0.75 3.90 0.19 2.70 1.02 -1.26 -0.84 118.68 125.15 1fx1 s LEU 67 Ca -0.13 2.34 -0.33 0.00 0.02 0.00 0.00 54.13 56.03 1fx1 s LEU 67 Cb -0.15 -4.35 -0.13 0.00 0.02 0.00 0.00 46.19 41.57 1fx1 s LEU 67 CO 0.02 -1.12 1.59 1.67 0.02 0.00 0.00 176.35 178.54 1fx1 n GLN 68 N -0.83 2.33 -0.29 1.70 0.00 -1.13 -4.64 117.38 114.52 1fx1 n GLN 68 Ca 0.09 0.84 0.11 0.00 -0.00 0.00 0.00 57.00 58.04 1fx1 n GLN 68 Cb 0.48 -2.61 0.23 0.00 0.00 0.00 0.00 30.24 28.34 1fx1 n GLN 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1fx1 n ASP 69 N 3.29 -0.13 0.23 1.69 2.03 -1.26 0.29 116.55 122.69 1fx1 n ASP 69 Ca 0.15 1.43 0.11 0.00 0.52 0.00 0.00 54.79 57.01 1fx1 n ASP 69 Cb 0.31 -0.51 0.48 0.00 -0.72 0.00 0.00 41.12 40.68 1fx1 n ASP 69 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1fx1 h ASP 70 N 0.00 0.00 0.31 1.67 3.32 -1.95 -3.28 116.42 116.49 1fx1 h ASP 70 Ca 0.49 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.21 1fx1 h ASP 70 Cb 0.98 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.54 1fx1 h ASP 70 CO -0.80 0.19 -1.59 0.15 -1.72 0.00 0.00 179.24 175.46 1fx1 h PHE 71 N 0.00 0.70 0.00 4.55 3.04 0.40 -3.39 116.94 122.24 1fx1 h PHE 71 Ca -0.00 -0.51 0.00 0.00 3.98 0.00 0.00 57.97 61.44 1fx1 h PHE 71 Cb 0.73 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.21 1fx1 h PHE 71 CO 0.00 1.54 0.00 -0.89 -2.02 0.00 0.00 178.31 176.94 1fx1 n ILE 72 N -3.58 0.00 -1.58 1.41 5.41 -0.92 -2.74 119.36 117.36 1fx1 n ILE 72 Ca -0.19 0.71 -0.26 0.00 1.00 0.00 0.00 62.75 64.01 1fx1 n ILE 72 Cb 1.07 -1.04 -0.05 0.00 -0.71 0.00 0.00 39.64 38.91 1fx1 n ILE 72 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1fx1 s PRO 73 N -1.27 1.88 0.00 0.38 0.04 -1.26 0.16 135.00 134.93 1fx1 s PRO 73 Ca 0.00 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1fx1 s PRO 73 Cb 0.00 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1fx1 s PRO 73 CO 0.00 -3.81 0.00 -0.11 0.04 0.00 0.00 177.00 173.12 1fx1 n LEU 74 N 17.09 0.00 0.04 -3.56 7.94 -1.16 -4.84 117.00 132.52 1fx1 n LEU 74 Ca 0.41 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 55.11 1fx1 n LEU 74 Cb 0.49 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.33 1fx1 n LEU 74 CO 0.63 0.00 0.09 0.15 -1.11 0.00 0.00 177.39 177.16 1fx1 h PHE 75 N 0.00 0.93 0.00 1.96 -0.00 0.17 0.30 116.94 120.30 1fx1 h PHE 75 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.97 57.45 1fx1 h PHE 75 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 35.85 1fx1 h PHE 75 CO 0.00 1.36 0.00 -0.44 -0.00 0.00 0.00 178.31 179.23 1fx1 h ASP 76 N 0.24 0.00 0.00 0.41 3.45 -1.45 -3.01 116.42 116.06 1fx1 h ASP 76 Ca -0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1fx1 h ASP 76 Cb 1.64 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.41 1fx1 h ASP 76 CO 0.19 0.00 -0.06 -1.20 -1.57 0.00 0.00 179.24 176.60 1fx1 n SER 77 N -2.77 1.95 0.00 6.45 7.64 -1.14 -4.73 113.62 121.01 1fx1 n SER 77 Ca 0.02 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1fx1 n SER 77 Cb 0.32 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1fx1 n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1fx1 n LEU 78 N -1.06 0.00 0.06 -3.43 4.77 0.10 -0.63 117.00 116.82 1fx1 n LEU 78 Ca 0.11 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1fx1 n LEU 78 Cb 0.57 -0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1fx1 n LEU 78 CO 0.01 -0.27 -0.10 -0.33 -1.33 0.00 0.00 177.39 175.37 1fx1 h GLU 79 N 0.00 0.13 -0.17 3.23 5.08 -1.85 -3.24 114.58 117.75 1fx1 h GLU 79 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1fx1 h GLU 79 Cb 0.19 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1fx1 h GLU 79 CO 0.00 1.02 0.00 0.39 -1.00 0.00 0.00 179.01 179.42 1fx1 n GLU 80 N -3.38 1.31 -0.01 2.33 1.02 0.20 -4.07 120.64 118.05 1fx1 n GLU 80 Ca -0.08 -0.46 -0.16 0.00 -0.02 0.00 0.00 57.16 56.44 1fx1 n GLU 80 Cb 1.00 -1.13 -0.14 0.00 -0.02 0.00 0.00 31.44 31.15 1fx1 n GLU 80 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1fx1 n THR 81 N -0.11 1.70 -0.24 2.62 -2.24 -1.22 0.16 114.28 114.94 1fx1 n THR 81 Ca 0.04 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1fx1 n THR 81 Cb 0.12 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1fx1 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fx1 n GLY 82 N 1.80 0.84 0.08 3.38 0.00 -1.26 -2.49 105.19 107.53 1fx1 n GLY 82 Ca -0.25 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.17 1fx1 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fx1 n ALA 83 N -0.22 2.83 -2.18 4.61 0.00 -1.26 -4.52 120.51 119.78 1fx1 n ALA 83 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1fx1 n ALA 83 Cb 0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1fx1 n ALA 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1fx1 s GLN 84 N -3.26 4.29 -0.04 0.00 2.00 -1.26 -2.15 119.66 119.25 1fx1 s GLN 84 Ca 0.03 2.04 0.00 0.00 -2.00 0.00 0.00 55.36 55.43 1fx1 s GLN 84 Cb 0.12 -3.43 0.00 0.00 0.80 0.00 0.00 33.01 30.49 1fx1 s GLN 84 CO 0.77 -0.52 0.00 0.41 -0.50 0.00 0.00 175.29 175.44 1fx1 n GLY 85 N 3.60 0.25 3.82 2.59 0.00 -1.06 -4.92 105.19 109.46 1fx1 n GLY 85 Ca 0.13 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1fx1 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fx1 s ARG 86 N -1.18 4.20 -0.36 1.61 3.52 -0.91 -4.77 118.95 121.07 1fx1 s ARG 86 Ca 0.00 1.16 -0.21 0.00 -0.13 0.00 0.00 55.73 56.55 1fx1 s ARG 86 Cb 0.00 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.19 1fx1 s ARG 86 CO 0.00 -0.06 0.65 0.21 -0.81 0.00 0.00 175.30 175.29 1fx1 s LYS 87 N -3.12 3.69 0.02 5.12 2.47 -1.26 -0.14 119.74 126.52 1fx1 s LYS 87 Ca 0.62 0.09 0.00 0.00 -1.56 0.00 0.00 55.97 55.12 1fx1 s LYS 87 Cb -0.10 -3.81 -0.02 0.00 -1.46 0.00 0.00 37.83 32.44 1fx1 s LYS 87 CO 0.14 -0.75 -0.03 0.08 0.16 0.00 0.00 175.35 174.96 1fx1 s VAL 88 N 2.75 0.14 0.05 4.02 1.01 -0.79 -0.95 120.40 126.63 1fx1 s VAL 88 Ca 0.25 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1fx1 s VAL 88 Cb -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1fx1 s VAL 88 CO 0.15 -0.52 -0.06 0.00 0.00 0.00 0.00 175.10 174.67 1fx1 s ALA 89 N -1.57 0.59 0.02 5.51 0.00 -0.85 0.44 121.76 125.90 1fx1 s ALA 89 Ca -0.15 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1fx1 s ALA 89 Cb -0.09 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1fx1 s ALA 89 CO -0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 175.76 175.48 1fx1 s PHE 91 N -0.66 -0.23 0.19 0.00 -0.12 -0.80 -2.57 117.98 113.80 1fx1 s PHE 91 Ca 0.02 0.49 -0.23 0.00 -0.05 0.00 0.00 56.93 57.16 1fx1 s PHE 91 Cb -0.07 0.09 0.05 0.00 -0.63 0.00 0.00 43.02 42.46 1fx1 s PHE 91 CO 0.01 -0.27 0.79 0.20 -0.05 0.00 0.00 175.22 175.90 1fx1 s GLY 92 N -0.61 -0.25 0.05 1.99 0.00 -0.66 0.32 107.32 108.16 1fx1 s GLY 92 Ca -0.07 0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.77 1fx1 s GLY 92 CO 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 173.10 173.09 1fx1 n GLY 94 N 1.06 2.72 2.93 0.00 0.00 0.21 -3.08 105.19 109.03 1fx1 n GLY 94 Ca -0.14 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1fx1 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fx1 s ASP 95 N 1.26 0.59 0.63 1.61 3.68 -1.26 -1.53 116.67 121.65 1fx1 s ASP 95 Ca 0.00 0.36 0.22 0.00 2.13 0.00 0.00 52.55 55.26 1fx1 s ASP 95 Cb 0.00 0.66 1.05 0.00 -1.45 0.00 0.00 42.92 43.18 1fx1 s ASP 95 CO 0.00 -0.27 1.56 0.77 0.13 0.00 0.00 175.17 177.36 1fx1 h SER 96 N 8.29 0.00 -0.49 -0.34 4.64 -1.94 -3.32 113.55 120.39 1fx1 h SER 96 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1fx1 h SER 96 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1fx1 h SER 96 CO 0.18 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 175.90 1fx1 n SER 97 N -3.12 -0.41 -1.19 4.97 2.88 -1.26 -4.83 113.62 110.66 1fx1 n SER 97 Ca 0.08 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1fx1 n SER 97 Cb 0.89 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 1fx1 n SER 97 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1fx1 n TYR 98 N -1.29 -1.27 0.16 0.66 4.01 -1.25 -4.64 117.16 113.55 1fx1 n TYR 98 Ca 0.00 0.68 -0.10 0.00 -0.16 0.00 0.00 57.90 58.32 1fx1 n TYR 98 Cb 0.00 -1.21 -0.06 0.00 -0.31 0.00 0.00 39.34 37.76 1fx1 n TYR 98 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1fx1 h GLU 99 N 0.65 -0.46 -6.02 -0.72 4.81 -1.88 -3.36 114.58 107.60 1fx1 h GLU 99 Ca 0.00 0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.65 1fx1 h GLU 99 Cb 0.13 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.52 1fx1 h GLU 99 CO 0.00 -0.18 1.68 0.71 -0.73 0.00 0.00 179.01 180.49 1fx1 s TYR 100 N -3.65 2.58 -0.91 0.92 4.12 -1.26 -4.90 117.35 114.24 1fx1 s TYR 100 Ca -0.11 -1.02 -0.22 0.00 0.02 0.00 0.00 57.07 55.74 1fx1 s TYR 100 Cb 0.01 -4.70 0.08 0.00 -1.52 0.00 0.00 41.96 35.83 1fx1 s TYR 100 CO 0.36 -1.89 1.25 0.12 0.02 0.00 0.00 175.55 175.41 1fx1 s PHE 101 N 4.93 2.75 -0.37 2.71 5.36 -1.26 -3.94 117.98 128.16 1fx1 s PHE 101 Ca 0.49 -0.94 -0.01 0.00 -0.96 0.00 0.00 56.93 55.52 1fx1 s PHE 101 Cb 0.01 -4.48 -0.01 0.00 -0.34 0.00 0.00 43.02 38.20 1fx1 s PHE 101 CO -0.04 -1.75 0.31 0.00 -1.46 0.00 0.00 175.22 172.28 1fx1 h GLY 103 N -0.52 0.70 -1.14 0.00 0.00 -1.96 -2.44 103.07 97.70 1fx1 h GLY 103 Ca -0.19 -0.63 0.44 0.00 0.00 0.00 0.00 47.33 46.95 1fx1 h GLY 103 CO 0.15 0.57 0.96 0.00 0.00 0.00 0.00 176.54 178.23 1fx1 h ALA 104 N 0.76 3.00 -0.01 3.60 0.00 -1.87 0.66 119.26 125.39 1fx1 h ALA 104 Ca 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1fx1 h ALA 104 Cb 0.67 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1fx1 h ALA 104 CO 0.04 -1.56 -0.13 0.28 0.00 0.00 0.00 179.25 177.88 1fx1 h VAL 105 N 0.08 1.53 -0.52 0.00 2.07 -1.66 -1.99 116.25 115.76 1fx1 h VAL 105 Ca 0.80 -1.74 0.15 0.00 0.82 0.00 0.00 66.70 66.73 1fx1 h VAL 105 Cb 2.73 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 35.11 1fx1 h VAL 105 CO -0.27 0.47 0.41 0.44 0.02 0.00 0.00 177.57 178.63 1fx1 h ASP 106 N -0.54 0.00 0.00 0.57 3.32 0.11 -2.43 116.42 117.45 1fx1 h ASP 106 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1fx1 h ASP 106 Cb 0.83 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1fx1 h ASP 106 CO 0.03 0.00 -0.35 0.00 -1.72 0.00 0.00 179.24 177.20 1fx1 h ALA 107 N 1.68 0.02 -0.90 3.45 0.00 0.02 -3.16 119.26 120.36 1fx1 h ALA 107 Ca 0.25 -0.37 0.24 0.00 0.00 0.00 0.00 54.91 55.02 1fx1 h ALA 107 Cb 1.06 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 1fx1 h ALA 107 CO -0.00 0.31 0.37 0.82 0.00 0.00 0.00 179.25 180.75 1fx1 h ILE 108 N -1.00 0.40 -0.03 0.00 2.04 -1.31 -0.41 117.51 117.21 1fx1 h ILE 108 Ca -0.03 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1fx1 h ILE 108 Cb 0.40 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1fx1 h ILE 108 CO -0.02 0.06 0.01 -0.33 0.00 0.00 0.00 178.15 177.88 1fx1 h GLU 109 N 0.33 0.04 -0.72 2.37 5.08 -1.58 -1.23 114.58 118.87 1fx1 h GLU 109 Ca 0.58 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 59.06 1fx1 h GLU 109 Cb 1.16 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1fx1 h GLU 109 CO -0.58 0.18 0.29 1.49 -1.00 0.00 0.00 179.01 179.39 1fx1 h GLU 110 N -0.10 0.45 0.00 2.33 4.81 -1.17 -2.00 114.58 118.89 1fx1 h GLU 110 Ca 0.01 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1fx1 h GLU 110 Cb 0.15 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1fx1 h GLU 110 CO -0.00 0.29 -0.87 -0.22 -0.73 0.00 0.00 179.01 177.48 1fx1 h LYS 111 N 0.46 0.00 0.00 1.92 3.11 -0.83 -3.13 116.57 118.09 1fx1 h LYS 111 Ca 0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.23 1fx1 h LYS 111 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1fx1 h LYS 111 CO -0.37 0.57 -0.49 1.28 -2.81 0.00 0.00 179.45 177.63 1fx1 n LEU 112 N -3.17 0.72 0.20 5.20 4.77 -0.49 -2.06 117.00 122.17 1fx1 n LEU 112 Ca -0.02 0.30 0.08 0.00 -0.03 0.00 0.00 56.01 56.34 1fx1 n LEU 112 Cb 0.82 -0.21 0.33 0.00 -2.33 0.00 0.00 43.42 42.03 1fx1 n LEU 112 CO 0.43 -0.08 0.72 0.07 -1.33 0.00 0.00 177.39 177.19 1fx1 h LYS 113 N 0.00 0.00 -0.28 3.23 2.10 -1.45 0.68 116.57 120.85 1fx1 h LYS 113 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1fx1 h LYS 113 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1fx1 h LYS 113 CO 0.00 0.29 0.00 0.27 -2.00 0.00 0.00 179.45 178.01 1fx1 n ASN 114 N -3.34 3.04 0.03 7.07 0.23 -1.18 -3.22 115.26 117.88 1fx1 n ASN 114 Ca 0.01 -1.89 0.12 0.00 -0.53 0.00 0.00 54.58 52.29 1fx1 n ASN 114 Cb 0.51 -0.18 0.25 0.00 -2.08 0.00 0.00 39.78 38.28 1fx1 n ASN 114 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1fx1 n LEU 115 N 1.14 0.57 0.00 -4.53 7.94 -0.63 -4.92 117.00 116.57 1fx1 n LEU 115 Ca 0.15 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 1fx1 n LEU 115 Cb 0.51 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1fx1 n LEU 115 CO 0.13 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1fx1 n GLY 116 N 1.41 0.62 3.71 -3.96 0.00 -0.60 -4.35 105.19 102.03 1fx1 n GLY 116 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1fx1 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fx1 s ALA 117 N -2.00 1.91 -0.61 4.61 0.00 0.23 -2.57 121.76 123.33 1fx1 s ALA 117 Ca 0.00 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 1fx1 s ALA 117 Cb 0.00 -3.42 0.16 0.00 0.00 0.00 0.00 23.12 19.86 1fx1 s ALA 117 CO 0.00 -2.17 0.46 -2.00 0.00 0.00 0.00 175.76 172.05 1fx1 s GLU 118 N -4.40 2.67 -0.41 0.00 2.12 0.81 -4.32 118.70 115.16 1fx1 s GLU 118 Ca 0.68 -2.34 -0.27 0.00 0.36 0.00 0.00 54.97 53.41 1fx1 s GLU 118 Cb -0.24 -3.86 -0.07 0.00 0.26 0.00 0.00 34.13 30.22 1fx1 s GLU 118 CO 0.52 -1.19 2.35 -0.89 -0.54 0.00 0.00 175.26 175.52 1fx1 n ILE 119 N 3.89 0.07 0.21 -3.70 2.08 -1.25 -1.88 119.36 118.78 1fx1 n ILE 119 Ca 0.05 -0.64 0.11 0.00 0.56 0.00 0.00 62.75 62.84 1fx1 n ILE 119 Cb 0.40 -2.61 0.16 0.00 -0.75 0.00 0.00 39.64 36.84 1fx1 n ILE 119 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 1fx1 h VAL 120 N 7.50 0.05 -2.23 1.39 -1.51 -0.39 -3.47 116.25 117.60 1fx1 h VAL 120 Ca -0.29 -1.07 -0.07 0.00 -1.23 0.00 0.00 66.70 64.04 1fx1 h VAL 120 Cb 1.26 2.01 -0.22 0.00 -2.13 0.00 0.00 31.29 32.22 1fx1 h VAL 120 CO 1.09 0.03 0.02 -1.58 -1.23 0.00 0.00 177.57 175.90 1fx1 s GLN 121 N -3.20 0.74 0.80 5.19 0.74 -1.26 -4.90 119.66 117.77 1fx1 s GLN 121 Ca 0.07 0.84 -0.14 0.00 0.05 0.00 0.00 55.36 56.18 1fx1 s GLN 121 Cb 0.05 0.36 0.08 0.00 1.10 0.00 0.00 33.01 34.60 1fx1 s GLN 121 CO 0.68 -0.10 1.21 0.16 -0.55 0.00 0.00 175.29 176.70 1fx1 s ASP 122 N 0.26 3.65 0.25 6.67 -4.77 -1.26 -4.48 116.67 116.99 1fx1 s ASP 122 Ca -0.01 2.39 0.05 0.00 -3.30 0.00 0.00 52.55 51.68 1fx1 s ASP 122 Cb -0.04 -2.59 -0.03 0.00 -1.09 0.00 0.00 42.92 39.17 1fx1 s ASP 122 CO 0.01 -2.63 0.38 -0.83 0.70 0.00 0.00 175.17 172.80 1fx1 s GLY 123 N -2.10 1.24 -0.07 2.12 0.00 -1.25 -4.87 107.32 102.38 1fx1 s GLY 123 Ca 0.74 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 1fx1 s GLY 123 CO 0.50 -1.22 1.74 1.08 0.00 0.00 0.00 173.10 175.20 1fx1 s LEU 124 N -4.02 4.22 -0.35 0.66 1.43 -1.06 -4.97 118.68 114.60 1fx1 s LEU 124 Ca 0.35 2.20 0.04 0.00 -1.03 0.00 0.00 54.13 55.69 1fx1 s LEU 124 Cb -0.09 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.70 1fx1 s LEU 124 CO 0.30 -1.07 0.06 -0.13 0.23 0.00 0.00 176.35 175.74 1fx1 s ARG 125 N 4.36 1.46 -0.16 1.70 0.52 -1.26 -1.65 118.95 123.93 1fx1 s ARG 125 Ca 0.78 -1.87 -0.19 0.00 -0.52 0.00 0.00 55.73 53.92 1fx1 s ARG 125 Cb -0.34 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 1fx1 s ARG 125 CO 0.32 -0.95 0.55 0.42 0.02 0.00 0.00 175.30 175.66 1fx1 s ILE 126 N 0.89 5.11 -0.35 1.52 -1.09 -0.94 -4.97 121.20 121.35 1fx1 s ILE 126 Ca 0.11 1.06 -0.11 0.00 -2.23 0.00 0.00 60.65 59.48 1fx1 s ILE 126 Cb -0.19 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 36.82 1fx1 s ILE 126 CO -0.09 0.21 0.20 -0.62 -1.23 0.00 0.00 174.94 173.42 1fx1 s ASP 127 N 0.97 5.73 0.00 3.58 2.15 -1.26 0.64 116.67 128.48 1fx1 s ASP 127 Ca 0.27 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.46 1fx1 s ASP 127 Cb -0.16 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1fx1 s ASP 127 CO 0.11 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1fx1 n GLY 128 N 5.01 -1.08 3.66 2.66 0.00 -0.59 -4.86 105.19 110.00 1fx1 n GLY 128 Ca -0.12 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1fx1 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fx1 s ASP 129 N -4.00 6.60 0.47 1.61 3.68 -1.26 -4.74 116.67 119.02 1fx1 s ASP 129 Ca 0.00 2.36 0.30 0.00 2.13 0.00 0.00 52.55 57.34 1fx1 s ASP 129 Cb 0.00 -2.53 1.19 0.00 -1.45 0.00 0.00 42.92 40.13 1fx1 s ASP 129 CO 0.00 -0.97 1.89 1.55 0.13 0.00 0.00 175.17 177.77 1fx1 h PRO 130 N 9.87 0.00 0.00 4.34 0.13 -1.89 -0.91 132.00 143.54 1fx1 h PRO 130 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1fx1 h PRO 130 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fx1 h PRO 130 CO 0.95 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.65 1fx1 h ARG 131 N 0.00 0.00 -0.00 0.86 3.08 -1.94 0.59 114.38 116.97 1fx1 h ARG 131 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fx1 h ARG 131 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1fx1 h ARG 131 CO 0.00 0.07 -0.23 0.00 -1.07 0.00 0.00 179.97 178.73 1fx1 n ALA 132 N -2.30 2.98 -2.50 0.04 0.00 -0.35 -3.93 120.51 114.45 1fx1 n ALA 132 Ca -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.11 1fx1 n ALA 132 Cb 0.17 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.42 1fx1 n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fx1 n ALA 133 N -1.11 2.91 -0.16 0.00 0.00 0.18 -4.90 120.51 117.43 1fx1 n ALA 133 Ca 0.10 -2.80 -0.06 0.00 0.00 0.00 0.00 53.44 50.69 1fx1 n ALA 133 Cb 0.32 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.09 1fx1 n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1fx1 h ARG 134 N 1.84 0.53 0.00 0.00 1.12 -0.95 -2.52 114.38 114.41 1fx1 h ARG 134 Ca -0.09 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 1fx1 h ARG 134 Cb 1.49 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 31.33 1fx1 h ARG 134 CO 0.21 0.35 -0.10 0.22 -3.11 0.00 0.00 179.97 177.54 1fx1 h ASP 135 N 0.55 0.00 -0.48 -3.80 -0.00 -1.90 -2.81 116.42 107.97 1fx1 h ASP 135 Ca 0.20 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.03 57.12 1fx1 h ASP 135 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.37 1fx1 h ASP 135 CO -0.11 0.00 -0.10 0.44 -0.00 0.00 0.00 179.24 179.47 1fx1 h ASP 136 N 0.00 0.95 -0.53 2.28 3.45 -1.85 -1.23 116.42 119.49 1fx1 h ASP 136 Ca 0.00 -0.31 -0.04 0.00 0.43 0.00 0.00 57.03 57.12 1fx1 h ASP 136 Cb 0.95 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 1fx1 h ASP 136 CO 0.00 1.07 0.19 0.40 -1.57 0.00 0.00 179.24 179.33 1fx1 h ILE 137 N 0.86 1.23 -0.71 0.35 2.04 -1.24 -2.03 117.51 118.00 1fx1 h ILE 137 Ca 0.14 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1fx1 h ILE 137 Cb 0.65 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1fx1 h ILE 137 CO 0.04 0.27 0.47 0.58 0.00 0.00 0.00 178.15 179.52 1fx1 h VAL 138 N 0.73 1.08 -0.21 1.67 2.07 -1.45 0.51 116.25 120.65 1fx1 h VAL 138 Ca 0.18 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1fx1 h VAL 138 Cb 0.23 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1fx1 h VAL 138 CO -0.01 0.15 -0.16 1.23 0.02 0.00 0.00 177.57 178.80 1fx1 h GLY 139 N 0.83 0.53 0.87 2.17 0.00 -0.76 -2.58 103.07 104.13 1fx1 h GLY 139 Ca 0.29 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1fx1 h GLY 139 CO -0.09 0.46 -0.03 -0.25 0.00 0.00 0.00 176.54 176.64 1fx1 h TRP 140 N 0.17 -0.09 -0.31 5.60 7.01 -0.64 0.10 115.95 127.80 1fx1 h TRP 140 Ca 0.04 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.12 1fx1 h TRP 140 Cb 0.69 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 1fx1 h TRP 140 CO 0.07 0.07 0.22 0.00 -2.79 0.00 0.00 178.44 176.01 1fx1 h ALA 141 N 0.70 2.22 0.05 2.65 0.00 -0.07 1.51 119.26 126.32 1fx1 h ALA 141 Ca -0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 1fx1 h ALA 141 Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1fx1 h ALA 141 CO 0.02 -0.31 -1.34 1.25 0.00 0.00 0.00 179.25 178.86 1fx1 h HIS 142 N 0.05 0.19 -0.48 0.00 -0.00 -1.27 -3.23 115.15 110.41 1fx1 h HIS 142 Ca 0.15 -0.14 -0.13 0.00 -0.00 0.00 0.00 60.37 60.25 1fx1 h HIS 142 Cb 0.51 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1fx1 h HIS 142 CO -0.00 1.15 -0.22 -0.44 -0.00 0.00 0.00 177.93 178.42 1fx1 h ASP 143 N 0.03 1.02 0.25 3.26 3.45 0.38 -2.70 116.42 122.10 1fx1 h ASP 143 Ca -0.15 -0.40 -0.00 0.00 0.43 0.00 0.00 57.03 56.90 1fx1 h ASP 143 Cb 1.92 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 40.41 1fx1 h ASP 143 CO 0.13 1.19 -0.02 0.58 -1.57 0.00 0.00 179.24 179.55 1fx1 h VAL 144 N 0.84 0.17 0.00 -1.35 2.07 0.19 -2.17 116.25 116.01 1fx1 h VAL 144 Ca 0.11 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 1fx1 h VAL 144 Cb 0.80 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1fx1 h VAL 144 CO 0.07 0.02 -0.67 0.03 0.02 0.00 0.00 177.57 177.04 1fx1 h ARG 145 N 0.00 0.00 -0.15 1.57 3.08 -1.50 -3.22 114.38 114.16 1fx1 h ARG 145 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fx1 h ARG 145 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1fx1 h ARG 145 CO 0.00 0.67 0.00 0.41 -1.07 0.00 0.00 179.97 179.98 1fx1 n GLY 146 N 0.99 1.20 0.10 0.04 0.00 -0.83 -4.17 105.19 102.51 1fx1 n GLY 146 Ca 0.01 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 1fx1 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fx1 h ALA 147 N 4.63 0.02 -0.02 4.61 0.00 -1.53 -3.52 119.26 123.46 1fx1 h ALA 147 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1fx1 h ALA 147 Cb 0.97 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1fx1 h ALA 147 CO 0.00 0.38 0.00 0.44 0.00 0.00 0.00 179.25 180.07