#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fit s PHE 3 N 0.00 1.56 0.25 7.33 0.40 -1.19 -4.98 117.98 121.36 1fit s PHE 3 Ca 0.00 -0.51 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 1fit s PHE 3 Cb 0.00 -1.09 -0.08 0.00 0.51 0.00 0.00 43.02 42.36 1fit s PHE 3 CO 0.00 -0.21 0.62 1.03 0.70 0.00 0.00 175.22 177.36 1fit s ARG 4 N 0.31 3.91 -0.41 0.44 0.52 -1.26 -0.95 118.95 121.51 1fit s ARG 4 Ca -0.09 0.46 0.04 0.00 -0.52 0.00 0.00 55.73 55.63 1fit s ARG 4 Cb -0.13 -2.62 0.17 0.00 0.52 0.00 0.00 34.95 32.88 1fit s ARG 4 CO 0.03 0.29 0.45 0.12 0.02 0.00 0.00 175.30 176.21 1fit s PHE 5 N -1.81 -0.31 0.00 -0.53 5.36 -0.55 -4.89 117.98 115.25 1fit s PHE 5 Ca 0.48 -1.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.37 1fit s PHE 5 Cb -0.12 -0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.22 1fit s PHE 5 CO 0.20 -1.01 0.00 0.41 -1.46 0.00 0.00 175.22 173.36 1fit n GLY 6 N 3.64 1.73 1.74 13.12 0.00 -1.26 -2.70 105.19 121.45 1fit n GLY 6 Ca 0.17 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1fit n GLY 6 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fit n GLN 7 N 12.61 4.33 -4.39 1.61 1.13 -1.26 -4.93 117.38 126.49 1fit n GLN 7 Ca 0.00 -2.95 -0.28 0.00 -1.94 0.00 0.00 57.00 51.83 1fit n GLN 7 Cb 0.00 -2.10 -0.12 0.00 0.11 0.00 0.00 30.24 28.13 1fit n GLN 7 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 1fit s HIS 8 N -2.35 2.34 -0.04 1.08 -3.43 -1.10 -5.11 115.29 106.68 1fit s HIS 8 Ca 0.52 -0.35 -0.15 0.00 -0.80 0.00 0.00 55.06 54.28 1fit s HIS 8 Cb 0.37 -1.22 -0.05 0.00 -1.43 0.00 0.00 32.58 30.25 1fit s HIS 8 CO 0.19 0.41 0.39 -0.51 -2.00 0.00 0.00 174.74 173.22 1fit s LEU 9 N -2.33 4.42 -0.18 5.38 1.43 -1.26 -1.48 118.68 124.66 1fit s LEU 9 Ca 0.17 0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.09 1fit s LEU 9 Cb -0.09 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1fit s LEU 9 CO 0.08 0.26 0.00 -0.63 0.23 0.00 0.00 176.35 176.30 1fit s ILE 10 N -0.68 4.14 0.29 -0.59 -1.09 -0.12 -4.92 121.20 118.23 1fit s ILE 10 Ca 0.23 -0.26 -0.29 0.00 -2.23 0.00 0.00 60.65 58.10 1fit s ILE 10 Cb -0.16 -2.85 -0.10 0.00 -1.58 0.00 0.00 42.46 37.78 1fit s ILE 10 CO 0.11 0.46 1.10 -0.54 -1.23 0.00 0.00 174.94 174.85 1fit s LYS 11 N 0.62 4.58 0.55 2.79 1.02 -1.26 -0.27 119.74 127.76 1fit s LYS 11 Ca -0.00 1.80 0.29 0.00 0.02 0.00 0.00 55.97 58.08 1fit s LYS 11 Cb -0.14 -3.12 1.46 0.00 -0.52 0.00 0.00 37.83 35.51 1fit s LYS 11 CO 0.02 0.16 1.92 -1.35 -0.92 0.00 0.00 175.35 175.18 1fit h PRO 12 N 3.66 0.00 0.00 -1.68 0.11 -1.97 -1.22 132.00 130.90 1fit h PRO 12 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1fit h PRO 12 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1fit h PRO 12 CO 0.66 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 179.09 1fit h SER 13 N 0.00 0.00 -0.17 -2.05 4.64 -1.97 -0.95 113.55 113.05 1fit h SER 13 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1fit h SER 13 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1fit h SER 13 CO -0.00 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 1fit n VAL 14 N -3.86 0.25 -3.59 0.95 0.24 -0.46 -4.28 118.33 107.58 1fit n VAL 14 Ca -0.03 -0.62 -0.37 0.00 -2.04 0.00 0.00 64.34 61.28 1fit n VAL 14 Cb 0.11 1.18 -0.09 0.00 -1.47 0.00 0.00 33.84 33.57 1fit n VAL 14 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1fit s VAL 15 N -1.47 5.32 -1.18 3.34 1.01 -0.36 -1.76 120.40 125.29 1fit s VAL 15 Ca 0.27 0.29 0.14 0.00 0.00 0.00 0.00 61.98 62.68 1fit s VAL 15 Cb 0.17 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1fit s VAL 15 CO 0.25 0.31 0.75 2.22 0.00 0.00 0.00 175.10 178.63 1fit n PHE 16 N 4.48 0.00 -3.69 5.22 -1.74 -0.67 -4.95 117.46 116.11 1fit n PHE 16 Ca -0.13 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.64 1fit n PHE 16 Cb 0.52 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.42 1fit n PHE 16 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1fit s LEU 17 N -2.05 -0.14 -0.02 5.98 2.96 -1.23 -4.30 118.68 119.88 1fit s LEU 17 Ca 0.11 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1fit s LEU 17 Cb 0.11 1.72 0.03 0.00 0.50 0.00 0.00 46.19 48.56 1fit s LEU 17 CO 0.40 -0.19 0.03 -0.75 -1.32 0.00 0.00 176.35 174.51 1fit s LYS 18 N 0.81 0.02 0.00 1.98 2.20 -1.26 -0.64 119.74 122.84 1fit s LYS 18 Ca -0.04 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 1fit s LYS 18 Cb -0.05 -0.30 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 1fit s LYS 18 CO -0.06 -0.17 0.00 0.25 -0.36 0.00 0.00 175.35 175.01 1fit n THR 19 N 4.21 0.00 0.26 3.43 -2.24 0.17 -4.97 114.28 115.13 1fit n THR 19 Ca -0.27 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1fit n THR 19 Cb 0.50 -0.17 0.65 0.00 -2.10 0.00 0.00 70.33 69.21 1fit n THR 19 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1fit h GLU 20 N 0.00 0.00 0.00 -0.78 4.11 -2.01 -3.33 114.58 112.56 1fit h GLU 20 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fit h GLU 20 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fit h GLU 20 CO 0.00 0.11 -0.01 1.28 0.07 0.00 0.00 179.01 180.46 1fit n LEU 21 N -3.33 0.00 -4.28 3.06 4.77 -1.26 -4.99 117.00 110.97 1fit n LEU 21 Ca -0.00 -0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 55.60 1fit n LEU 21 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1fit n LEU 21 CO 0.30 0.00 -0.22 -0.44 -1.33 0.00 0.00 177.39 175.70 1fit s SER 22 N -0.47 0.99 0.06 -1.43 0.01 -1.25 -0.09 113.70 111.51 1fit s SER 22 Ca 0.00 -1.48 -0.18 0.00 1.31 0.00 0.00 55.95 55.60 1fit s SER 22 Cb 0.00 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.62 1fit s SER 22 CO 0.00 -0.85 0.42 0.72 0.41 0.00 0.00 173.24 173.94 1fit s PHE 23 N -3.82 -0.27 0.02 2.43 -0.71 -0.28 0.45 117.98 115.81 1fit s PHE 23 Ca 0.38 0.19 0.07 0.00 -1.04 0.00 0.00 56.93 56.53 1fit s PHE 23 Cb 0.06 0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 42.08 1fit s PHE 23 CO 0.16 -0.60 -0.20 0.00 -1.34 0.00 0.00 175.22 173.24 1fit s ALA 24 N -2.67 1.71 0.07 1.99 0.00 0.18 -0.92 121.76 122.12 1fit s ALA 24 Ca -0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1fit s ALA 24 Cb -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1fit s ALA 24 CO -0.04 0.39 0.01 -0.48 0.00 0.00 0.00 175.76 175.64 1fit s LEU 25 N -0.92 2.25 0.40 0.00 2.34 -0.47 -1.68 118.68 120.60 1fit s LEU 25 Ca 0.07 -1.03 -0.02 0.00 0.06 0.00 0.00 54.13 53.22 1fit s LEU 25 Cb -0.08 0.28 -0.03 0.00 -0.56 0.00 0.00 46.19 45.79 1fit s LEU 25 CO 0.01 -0.64 0.64 0.68 -1.06 0.00 0.00 176.35 175.98 1fit s VAL 26 N -3.95 5.03 0.11 1.48 -7.23 -0.72 -1.63 120.40 113.50 1fit s VAL 26 Ca 0.11 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 1fit s VAL 26 Cb 0.08 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 1fit s VAL 26 CO -0.07 -0.67 0.26 0.20 -0.31 0.00 0.00 175.10 174.51 1fit s ASN 27 N -4.06 6.36 0.11 4.85 0.01 -1.25 -4.90 114.94 116.06 1fit s ASN 27 Ca 0.43 0.25 -0.14 0.00 -0.71 0.00 0.00 52.86 52.69 1fit s ASN 27 Cb -0.10 -1.95 -0.06 0.00 0.41 0.00 0.00 41.25 39.55 1fit s ASN 27 CO 0.39 0.10 1.45 -0.09 -1.51 0.00 0.00 177.10 177.45 1fit h ARG 28 N 2.61 0.77 -2.73 -0.60 9.65 -1.94 -3.35 114.38 118.78 1fit h ARG 28 Ca -0.47 -0.38 -0.61 0.00 -1.10 0.00 0.00 59.98 57.43 1fit h ARG 28 Cb 1.18 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.35 1fit h ARG 28 CO 0.72 1.00 -0.73 1.63 2.80 0.00 0.00 179.97 185.39 1fit n LYS 29 N -4.24 1.27 -1.86 0.20 5.02 -1.26 -2.40 118.16 114.90 1fit n LYS 29 Ca -0.03 -4.00 -0.41 0.00 -2.02 0.00 0.00 58.31 51.85 1fit n LYS 29 Cb 0.46 -2.03 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 1fit n LYS 29 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1fit s PRO 30 N -1.01 4.17 0.34 1.97 0.04 -1.26 -4.87 135.00 134.38 1fit s PRO 30 Ca 0.29 2.48 0.03 0.00 0.04 0.00 0.00 61.00 63.84 1fit s PRO 30 Cb 0.01 -3.05 0.60 0.00 0.04 0.00 0.00 34.50 32.09 1fit s PRO 30 CO -0.17 -0.55 1.90 0.28 0.04 0.00 0.00 177.00 178.50 1fit h VAL 31 N 3.43 1.19 -4.06 -0.36 2.07 -1.97 -3.44 116.25 113.10 1fit h VAL 31 Ca -0.47 -0.66 -0.18 0.00 0.82 0.00 0.00 66.70 66.21 1fit h VAL 31 Cb 1.22 0.76 -0.15 0.00 -1.52 0.00 0.00 31.29 31.60 1fit h VAL 31 CO 0.78 0.24 -0.68 0.68 0.02 0.00 0.00 177.57 178.62 1fit s VAL 32 N -5.17 0.42 0.15 2.57 -7.23 -1.26 -5.05 120.40 104.83 1fit s VAL 32 Ca -0.08 -1.89 -0.31 0.00 -1.81 0.00 0.00 61.98 57.88 1fit s VAL 32 Cb 0.16 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 35.28 1fit s VAL 32 CO 0.77 -0.82 1.56 -2.84 -0.31 0.00 0.00 175.10 173.46 1fit s PRO 33 N -3.91 4.23 0.00 4.82 0.02 -1.26 -1.09 135.00 137.81 1fit s PRO 33 Ca 0.13 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1fit s PRO 33 Cb 0.07 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1fit s PRO 33 CO -0.05 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1fit n GLY 34 N 3.76 0.51 3.60 0.52 0.00 -1.26 -4.49 105.19 107.82 1fit n GLY 34 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1fit n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fit s HIS 35 N -2.22 1.33 0.37 1.61 5.04 -0.25 -4.49 115.29 116.68 1fit s HIS 35 Ca 0.00 0.53 0.05 0.00 -1.54 0.00 0.00 55.06 54.10 1fit s HIS 35 Cb 0.00 -3.98 -0.07 0.00 0.04 0.00 0.00 32.58 28.57 1fit s HIS 35 CO 0.00 -3.84 0.04 0.14 -2.34 0.00 0.00 174.74 168.73 1fit s VAL 36 N 7.82 1.55 -0.01 0.89 -7.23 -0.77 -3.96 120.40 118.69 1fit s VAL 36 Ca 0.95 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 1fit s VAL 36 Cb -0.31 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 1fit s VAL 36 CO 0.35 0.00 -0.23 -0.76 -0.31 0.00 0.00 175.10 174.15 1fit s LEU 37 N -3.59 2.05 -0.15 1.32 1.43 -0.64 -1.38 118.68 117.72 1fit s LEU 37 Ca 0.35 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1fit s LEU 37 Cb 0.09 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1fit s LEU 37 CO 0.17 0.27 -0.20 -0.69 0.23 0.00 0.00 176.35 176.13 1fit s VAL 38 N -0.55 1.92 0.08 -1.59 1.01 -0.62 -1.37 120.40 119.28 1fit s VAL 38 Ca 0.09 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1fit s VAL 38 Cb -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1fit s VAL 38 CO -0.01 0.52 -0.11 0.00 0.00 0.00 0.00 175.10 175.51 1fit s PRO 40 N -2.32 3.33 0.26 0.00 0.04 -1.26 -1.12 135.00 133.92 1fit s PRO 40 Ca 0.01 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.15 1fit s PRO 40 Cb -0.06 -2.04 0.33 0.00 0.04 0.00 0.00 34.50 32.77 1fit s PRO 40 CO 0.01 -0.79 1.66 -0.07 0.04 0.00 0.00 177.00 177.85 1fit h LEU 41 N 0.18 0.49 -9.20 -3.56 3.38 -0.80 -3.42 115.31 102.39 1fit h LEU 41 Ca -0.46 -0.20 -0.56 0.00 0.09 0.00 0.00 57.88 56.75 1fit h LEU 41 Cb 1.21 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1fit h LEU 41 CO 0.58 0.80 0.66 -0.60 0.09 0.00 0.00 178.44 179.98 1fit s ARG 42 N -4.33 4.36 -1.07 1.13 3.52 -1.26 -4.70 118.95 116.60 1fit s ARG 42 Ca -0.07 1.41 -0.22 0.00 -0.13 0.00 0.00 55.73 56.72 1fit s ARG 42 Cb 0.13 -3.58 0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1fit s ARG 42 CO 0.80 -0.44 1.58 -1.25 -0.81 0.00 0.00 175.30 175.19 1fit s PRO 43 N 2.45 3.51 0.11 5.12 0.04 -1.26 -4.89 135.00 140.07 1fit s PRO 43 Ca 0.48 -1.20 0.04 0.00 0.04 0.00 0.00 61.00 60.37 1fit s PRO 43 Cb -0.18 -5.36 -0.04 0.00 0.04 0.00 0.00 34.50 28.97 1fit s PRO 43 CO 0.14 -2.42 0.06 0.14 0.04 0.00 0.00 177.00 174.96 1fit s VAL 44 N 5.64 4.27 -0.04 -0.36 -7.23 -1.26 -4.99 120.40 116.41 1fit s VAL 44 Ca 0.51 -0.97 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 1fit s VAL 44 Cb -0.00 -3.08 -0.31 0.00 0.56 0.00 0.00 36.38 33.55 1fit s VAL 44 CO -0.05 0.05 0.70 -0.08 -0.31 0.00 0.00 175.10 175.42 1fit h GLU 45 N 3.11 0.41 -6.48 4.82 4.81 -1.92 -0.25 114.58 119.07 1fit h GLU 45 Ca -0.47 -0.70 -0.68 0.00 -0.13 0.00 0.00 59.36 57.38 1fit h GLU 45 Cb 1.17 0.26 -0.20 0.00 0.63 0.00 0.00 28.75 30.61 1fit h GLU 45 CO 0.62 1.33 -0.77 1.03 -0.73 0.00 0.00 179.01 180.50 1fit s ARG 46 N -2.57 2.23 0.37 1.92 1.81 -1.26 -4.11 118.95 117.34 1fit s ARG 46 Ca -0.15 -0.90 0.11 0.00 -1.72 0.00 0.00 55.73 53.06 1fit s ARG 46 Cb 0.05 -2.29 0.88 0.00 -0.45 0.00 0.00 34.95 33.15 1fit s ARG 46 CO 0.86 0.56 1.88 0.35 -0.68 0.00 0.00 175.30 178.26 1fit h PHE 47 N 4.52 0.74 0.00 -0.53 3.57 -1.91 0.19 116.94 123.51 1fit h PHE 47 Ca -0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1fit h PHE 47 Cb 1.16 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1fit h PHE 47 CO 0.55 0.26 0.00 1.12 -2.23 0.00 0.00 178.31 178.01 1fit h HIS 48 N 0.62 0.00 0.00 0.41 2.07 -2.00 -2.50 115.15 113.75 1fit h HIS 48 Ca 0.44 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.91 1fit h HIS 48 Cb 0.79 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.76 1fit h HIS 48 CO -0.00 0.00 -0.23 -0.44 -3.07 0.00 0.00 177.93 174.19 1fit h ASP 49 N 0.00 0.00 -3.87 3.10 3.32 -1.37 -3.45 116.42 114.15 1fit h ASP 49 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1fit h ASP 49 Cb 0.21 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.80 1fit h ASP 49 CO 0.00 0.23 0.50 -0.76 -1.72 0.00 0.00 179.24 177.48 1fit s LEU 50 N -6.67 4.40 0.70 1.55 1.43 -0.94 -5.03 118.68 114.11 1fit s LEU 50 Ca 0.01 2.32 -0.11 0.00 -1.03 0.00 0.00 54.13 55.32 1fit s LEU 50 Cb 0.10 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.53 1fit s LEU 50 CO 0.64 -0.37 1.06 -0.13 0.23 0.00 0.00 176.35 177.79 1fit s ARG 51 N -1.83 2.93 0.22 1.70 0.52 -1.26 -4.81 118.95 116.41 1fit s ARG 51 Ca 0.50 0.88 -0.07 0.00 -0.52 0.00 0.00 55.73 56.51 1fit s ARG 51 Cb -0.31 -1.99 0.30 0.00 0.52 0.00 0.00 34.95 33.46 1fit s ARG 51 CO 0.40 -1.08 1.80 -1.35 0.02 0.00 0.00 175.30 175.09 1fit h PRO 52 N -0.71 0.67 -0.84 3.54 0.11 -1.98 0.76 132.00 133.55 1fit h PRO 52 Ca -0.44 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1fit h PRO 52 Cb 1.21 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1fit h PRO 52 CO 0.58 0.44 0.40 0.38 -0.21 0.00 0.00 178.00 179.59 1fit h ASP 53 N 0.69 1.11 0.15 -2.05 2.03 -1.99 -1.05 116.42 115.31 1fit h ASP 53 Ca 0.34 -0.14 -0.10 0.00 -0.73 0.00 0.00 57.03 56.39 1fit h ASP 53 Cb 0.27 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.48 1fit h ASP 53 CO -0.22 0.94 -0.37 -0.33 -1.03 0.00 0.00 179.24 178.23 1fit h GLU 54 N 1.20 0.30 -0.25 4.15 5.08 -1.76 -0.58 114.58 122.73 1fit h GLU 54 Ca 0.29 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1fit h GLU 54 Cb 0.13 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1fit h GLU 54 CO -0.04 0.63 -0.00 0.28 -1.00 0.00 0.00 179.01 178.88 1fit h VAL 55 N 0.25 1.26 -0.31 3.13 2.07 -0.39 0.13 116.25 122.39 1fit h VAL 55 Ca 0.03 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1fit h VAL 55 Cb 0.77 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1fit h VAL 55 CO 0.06 0.28 0.15 0.00 0.02 0.00 0.00 177.57 178.08 1fit h ALA 56 N 0.81 0.40 -0.26 1.67 0.00 -1.03 -2.41 119.26 118.44 1fit h ALA 56 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1fit h ALA 56 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1fit h ALA 56 CO 0.01 -0.04 0.07 0.22 0.00 0.00 0.00 179.25 179.51 1fit h ASP 57 N 0.36 0.39 -0.50 0.00 1.82 -1.04 0.50 116.42 117.96 1fit h ASP 57 Ca 0.11 -0.22 0.09 0.00 -0.39 0.00 0.00 57.03 56.61 1fit h ASP 57 Cb 0.11 -0.10 -0.07 0.00 0.68 0.00 0.00 39.33 39.95 1fit h ASP 57 CO -0.01 0.51 0.08 0.25 -1.61 0.00 0.00 179.24 178.45 1fit h LEU 58 N 0.25 -0.05 0.00 2.28 5.85 -0.87 -0.57 115.31 122.20 1fit h LEU 58 Ca 0.08 0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 1fit h LEU 58 Cb 0.27 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1fit h LEU 58 CO -0.00 -0.00 -1.00 -0.26 -0.34 0.00 0.00 178.44 176.84 1fit h PHE 59 N 0.20 0.00 -0.21 1.25 0.04 -1.29 -0.92 116.94 116.01 1fit h PHE 59 Ca 0.25 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.90 1fit h PHE 59 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1fit h PHE 59 CO -0.25 0.80 -0.38 1.96 -0.60 0.00 0.00 178.31 179.84 1fit h GLN 60 N 0.00 0.47 -0.34 1.51 4.20 -0.65 -0.42 115.11 119.88 1fit h GLN 60 Ca -0.06 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 1fit h GLN 60 Cb 1.67 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 1fit h GLN 60 CO 0.09 0.78 -0.17 1.15 -0.67 0.00 0.00 178.83 180.01 1fit h THR 61 N 0.40 1.29 -0.72 -0.54 2.02 -1.10 -2.51 112.91 111.74 1fit h THR 61 Ca 0.04 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 1fit h THR 61 Cb 0.85 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 1fit h THR 61 CO 0.07 0.42 0.44 0.74 0.37 0.00 0.00 175.52 177.57 1fit h THR 62 N 0.50 1.20 -0.04 3.16 2.02 -0.86 -0.91 112.91 117.98 1fit h THR 62 Ca 0.08 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1fit h THR 62 Cb 0.71 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1fit h THR 62 CO 0.05 0.20 0.02 -0.61 0.37 0.00 0.00 175.52 175.55 1fit h GLN 63 N 0.99 0.06 -0.64 6.66 4.15 -0.82 -0.65 115.11 124.87 1fit h GLN 63 Ca 0.26 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1fit h GLN 63 Cb -0.06 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1fit h GLN 63 CO -0.05 0.21 0.40 0.00 -1.93 0.00 0.00 178.83 177.46 1fit h ARG 64 N -0.10 0.85 -0.35 1.69 3.08 -1.10 -2.57 114.38 115.87 1fit h ARG 64 Ca 0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1fit h ARG 64 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1fit h ARG 64 CO -0.00 0.59 0.10 0.28 -1.07 0.00 0.00 179.97 179.87 1fit h VAL 65 N 0.86 1.21 -0.61 2.04 2.07 -1.12 -2.40 116.25 118.30 1fit h VAL 65 Ca 0.23 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1fit h VAL 65 Cb -0.05 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1fit h VAL 65 CO -0.05 0.24 0.34 1.23 0.02 0.00 0.00 177.57 179.36 1fit h GLY 66 N 0.42 0.88 1.00 2.17 0.00 -1.00 0.13 103.07 106.67 1fit h GLY 66 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1fit h GLY 66 CO -0.00 0.16 0.31 -0.84 0.00 0.00 0.00 176.54 176.17 1fit h THR 67 N 0.65 1.12 0.47 4.70 2.02 -1.36 -0.72 112.91 119.79 1fit h THR 67 Ca 0.26 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1fit h THR 67 Cb 0.13 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1fit h THR 67 CO -0.16 0.12 -0.23 0.58 0.37 0.00 0.00 175.52 176.21 1fit h VAL 68 N 0.63 0.50 -0.30 3.16 2.07 -0.89 -2.47 116.25 118.96 1fit h VAL 68 Ca 0.17 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1fit h VAL 68 Cb -0.07 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1fit h VAL 68 CO -0.04 0.05 0.07 -0.37 0.02 0.00 0.00 177.57 177.31 1fit h VAL 69 N -0.82 1.14 -0.48 2.57 -1.51 -0.70 0.35 116.25 116.80 1fit h VAL 69 Ca -0.06 -0.50 -0.03 0.00 -1.23 0.00 0.00 66.70 64.88 1fit h VAL 69 Cb 0.57 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 1fit h VAL 69 CO 0.11 0.18 0.20 -0.08 -1.23 0.00 0.00 177.57 176.75 1fit h GLU 70 N 0.43 0.71 0.75 5.19 4.81 -1.12 -0.90 114.58 124.45 1fit h GLU 70 Ca 0.10 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1fit h GLU 70 Cb 0.17 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.44 1fit h GLU 70 CO -0.00 0.63 -0.36 -0.22 -0.73 0.00 0.00 179.01 178.33 1fit h LYS 71 N 0.64 -0.97 -0.65 1.92 3.64 -0.92 0.17 116.57 120.39 1fit h LYS 71 Ca 0.16 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1fit h LYS 71 Cb 0.18 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1fit h LYS 71 CO -0.02 -0.65 0.31 1.25 -2.27 0.00 0.00 179.45 178.08 1fit h HIS 72 N -1.19 0.56 -0.46 1.91 2.76 -0.89 -1.79 115.15 116.05 1fit h HIS 72 Ca -0.10 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1fit h HIS 72 Cb 0.77 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1fit h HIS 72 CO 0.02 0.22 0.00 1.19 -1.30 0.00 0.00 177.93 178.05 1fit n PHE 73 N -4.88 0.87 -3.68 5.26 3.72 -0.35 -4.94 117.46 113.46 1fit n PHE 73 Ca 0.09 -0.37 -0.25 0.00 -0.05 0.00 0.00 57.45 56.87 1fit n PHE 73 Cb 0.23 -0.11 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 1fit n PHE 73 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1fit n HIS 74 N 0.78 -2.54 -2.39 1.38 8.25 -0.67 -5.00 115.22 115.03 1fit n HIS 74 Ca 0.17 0.96 -0.27 0.00 -0.26 0.00 0.00 57.72 58.32 1fit n HIS 74 Cb 0.55 -4.67 0.03 0.00 1.12 0.00 0.00 29.99 27.03 1fit n HIS 74 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fit s GLY 75 N -3.55 1.61 0.00 -1.41 0.00 0.55 -4.87 107.32 99.65 1fit s GLY 75 Ca 0.48 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1fit s GLY 75 CO 0.77 -0.42 0.61 -1.30 0.00 0.00 0.00 173.10 172.76 1fit n THR 76 N -2.59 0.28 -3.68 0.90 -2.24 0.11 -4.73 114.28 102.33 1fit n THR 76 Ca 0.05 -0.59 -0.06 0.00 -2.27 0.00 0.00 64.05 61.17 1fit n THR 76 Cb 0.58 0.92 0.02 0.00 -2.10 0.00 0.00 70.33 69.75 1fit n THR 76 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1fit n SER 77 N -0.14 -1.72 -3.75 3.42 7.64 -1.04 -5.01 113.62 113.02 1fit n SER 77 Ca 0.00 -2.12 -0.13 0.00 1.01 0.00 0.00 58.87 57.63 1fit n SER 77 Cb 0.10 2.85 -0.10 0.00 -1.01 0.00 0.00 64.21 66.05 1fit n SER 77 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fit s LEU 78 N 0.00 0.68 -0.15 -3.43 1.43 -1.26 -0.64 118.68 115.31 1fit s LEU 78 Ca 0.14 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1fit s LEU 78 Cb -0.03 1.24 -0.02 0.00 0.03 0.00 0.00 46.19 47.41 1fit s LEU 78 CO 0.08 -0.21 -0.07 -0.89 0.23 0.00 0.00 176.35 175.50 1fit s THR 79 N -0.21 3.61 -0.16 5.49 2.01 -0.33 -4.93 115.64 121.12 1fit s THR 79 Ca -0.04 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1fit s THR 79 Cb -0.03 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.91 1fit s THR 79 CO 0.02 0.50 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.92 1fit s PHE 80 N 0.42 2.77 0.00 4.92 0.08 -1.26 -1.11 117.98 123.80 1fit s PHE 80 Ca -0.06 -1.10 0.00 0.00 0.12 0.00 0.00 56.93 55.89 1fit s PHE 80 Cb -0.15 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1fit s PHE 80 CO 0.04 -0.51 0.00 0.43 -0.10 0.00 0.00 175.22 175.08 1fit n SER 81 N 4.11 0.00 -3.14 1.36 7.64 -0.65 -4.98 113.62 117.96 1fit n SER 81 Ca -0.19 -0.88 0.01 0.00 1.01 0.00 0.00 58.87 58.81 1fit n SER 81 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1fit n SER 81 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1fit s GLN 83 N -1.65 0.81 -1.16 1.43 -0.21 -1.26 -0.75 119.66 116.87 1fit s GLN 83 Ca 0.00 -0.33 -0.17 0.00 0.02 0.00 0.00 55.36 54.88 1fit s GLN 83 Cb 0.00 0.08 0.12 0.00 1.00 0.00 0.00 33.01 34.21 1fit s GLN 83 CO 0.00 -1.15 1.47 0.34 -2.12 0.00 0.00 175.29 173.83 1fit s ASP 84 N 1.76 6.85 0.00 5.90 2.15 -1.26 -3.99 116.67 128.08 1fit s ASP 84 Ca 0.17 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 50.68 1fit s ASP 84 Cb -0.03 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1fit s ASP 84 CO -0.07 -1.02 0.00 0.61 -0.17 0.00 0.00 175.17 174.52 1fit n GLY 85 N 5.08 3.19 0.31 2.66 0.00 -1.26 -4.71 105.19 110.46 1fit n GLY 85 Ca 0.37 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1fit n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fit h PRO 86 N 0.00 0.93 0.00 1.61 0.11 -1.90 -1.38 132.00 131.36 1fit h PRO 86 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1fit h PRO 86 Cb 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.90 1fit h PRO 86 CO 0.00 0.61 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 1fit n GLU 87 N -4.63 0.66 0.00 1.05 4.71 -1.26 -2.25 120.64 118.92 1fit n GLU 87 Ca 0.12 0.01 0.10 0.00 -0.01 0.00 0.00 57.16 57.37 1fit n GLU 87 Cb 0.16 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.13 1fit n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1fit n ALA 88 N -1.15 2.91 -0.01 0.62 0.00 -0.60 -4.97 120.51 117.31 1fit n ALA 88 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1fit n ALA 88 Cb 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1fit n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fit n GLY 89 N 1.19 0.78 3.68 0.00 0.00 -0.95 -4.73 105.19 105.15 1fit n GLY 89 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1fit n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1fit n GLN 90 N -2.00 2.53 -0.12 1.61 7.27 -0.70 -4.88 117.38 121.09 1fit n GLN 90 Ca 0.00 0.93 -0.22 0.00 0.07 0.00 0.00 57.00 57.77 1fit n GLN 90 Cb 0.00 -2.81 -0.08 0.00 2.41 0.00 0.00 30.24 29.76 1fit n GLN 90 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1fit n THR 91 N 5.00 1.52 -3.15 1.69 -2.24 -1.26 -4.57 114.28 111.27 1fit n THR 91 Ca 0.20 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.42 1fit n THR 91 Cb 0.35 -2.04 -0.06 0.00 -2.10 0.00 0.00 70.33 66.47 1fit n THR 91 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fit s VAL 92 N -2.52 5.04 -1.08 2.28 0.11 -1.26 -4.93 120.40 118.02 1fit s VAL 92 Ca -0.33 1.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.73 1fit s VAL 92 Cb 0.10 -3.91 -0.07 0.00 -1.53 0.00 0.00 36.38 30.97 1fit s VAL 92 CO 0.48 0.11 2.27 0.29 -3.33 0.00 0.00 175.10 174.93 1fit n LYS 93 N 5.11 2.40 -3.73 1.54 5.02 -1.26 -4.68 118.16 122.56 1fit n LYS 93 Ca -0.02 -1.75 -0.12 0.00 -2.02 0.00 0.00 58.31 54.40 1fit n LYS 93 Cb 0.50 -2.65 -0.12 0.00 -0.02 0.00 0.00 35.03 32.74 1fit n LYS 93 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1fit s HIS 94 N 3.37 -0.40 0.20 2.13 2.46 -1.25 -3.98 115.29 117.82 1fit s HIS 94 Ca 0.49 0.91 -0.31 0.00 0.47 0.00 0.00 55.06 56.62 1fit s HIS 94 Cb 0.13 0.12 -0.11 0.00 -0.13 0.00 0.00 32.58 32.59 1fit s HIS 94 CO -0.02 -0.24 1.60 0.08 -2.47 0.00 0.00 174.74 173.69 1fit s VAL 95 N 0.97 2.41 -0.08 0.89 1.01 -0.10 -4.93 120.40 120.57 1fit s VAL 95 Ca -0.07 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1fit s VAL 95 Cb -0.07 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 33.18 1fit s VAL 95 CO -0.07 0.03 0.66 -1.38 0.00 0.00 0.00 175.10 174.34 1fit s HIS 96 N 0.90 -0.64 -0.19 5.22 -3.43 -1.26 -4.12 115.29 111.77 1fit s HIS 96 Ca 0.69 1.19 -0.08 0.00 -0.80 0.00 0.00 55.06 56.07 1fit s HIS 96 Cb -0.45 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.01 1fit s HIS 96 CO 0.34 -0.55 0.08 0.08 -2.00 0.00 0.00 174.74 172.69 1fit s VAL 97 N -0.93 4.87 -0.07 -5.38 1.01 0.22 -4.42 120.40 115.71 1fit s VAL 97 Ca -0.09 -0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.65 1fit s VAL 97 Cb -0.01 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1fit s VAL 97 CO 0.08 0.44 0.69 -1.00 0.00 0.00 0.00 175.10 175.31 1fit s HIS 98 N 0.52 3.58 -0.18 5.22 3.76 0.07 -1.58 115.29 126.67 1fit s HIS 98 Ca 0.04 1.23 0.01 0.00 -0.15 0.00 0.00 55.06 56.19 1fit s HIS 98 Cb -0.13 -2.79 0.02 0.00 1.11 0.00 0.00 32.58 30.79 1fit s HIS 98 CO 0.01 0.10 -0.18 0.08 -0.85 0.00 0.00 174.74 173.89 1fit s VAL 99 N 0.77 2.21 -0.16 -0.90 1.01 -0.48 -1.64 120.40 121.21 1fit s VAL 99 Ca 0.37 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1fit s VAL 99 Cb -0.18 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.31 1fit s VAL 99 CO 0.18 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.98 1fit s LEU 100 N 1.29 1.59 0.24 3.92 1.02 -0.27 -1.85 118.68 124.63 1fit s LEU 100 Ca 0.05 -0.60 -0.30 0.00 0.02 0.00 0.00 54.13 53.30 1fit s LEU 100 Cb -0.13 -0.94 -0.10 0.00 0.02 0.00 0.00 46.19 45.04 1fit s LEU 100 CO -0.11 -0.16 1.35 -2.84 0.02 0.00 0.00 176.35 174.61 1fit s PRO 101 N 1.62 4.35 -0.02 1.29 0.02 -1.26 -1.19 135.00 139.81 1fit s PRO 101 Ca 0.02 2.17 0.05 0.00 0.02 0.00 0.00 61.00 63.25 1fit s PRO 101 Cb -0.15 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 1fit s PRO 101 CO -0.08 -0.29 -0.16 1.03 -0.33 0.00 0.00 177.00 177.17 1fit s ARG 102 N -0.57 2.36 0.21 5.54 1.81 0.19 -4.86 118.95 123.62 1fit s ARG 102 Ca 0.56 -0.79 0.07 0.00 -1.72 0.00 0.00 55.73 53.84 1fit s ARG 102 Cb -0.39 -2.30 -0.05 0.00 -0.45 0.00 0.00 34.95 31.76 1fit s ARG 102 CO 0.43 0.59 -0.12 0.15 -0.68 0.00 0.00 175.30 175.67 1fit s LYS 103 N -0.95 1.31 0.20 3.54 1.02 -1.26 0.03 119.74 123.63 1fit s LYS 103 Ca 0.13 -1.60 -0.32 0.00 0.02 0.00 0.00 55.97 54.20 1fit s LYS 103 Cb -0.11 -1.02 -0.11 0.00 -0.52 0.00 0.00 37.83 36.07 1fit s LYS 103 CO 0.02 0.14 1.64 0.00 -0.92 0.00 0.00 175.35 176.23 1fit s ALA 104 N -3.05 3.85 -1.20 5.17 0.00 -1.26 -2.48 121.76 122.79 1fit s ALA 104 Ca 0.23 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1fit s ALA 104 Cb 0.01 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1fit s ALA 104 CO 0.07 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1fit n GLY 105 N 3.70 0.38 3.92 0.00 0.00 -1.26 -5.18 105.19 106.76 1fit n GLY 105 Ca 0.14 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1fit n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fit s ASP 106 N -2.57 4.73 0.00 1.61 -4.77 -1.03 -5.29 116.67 109.35 1fit s ASP 106 Ca 0.00 0.55 0.00 0.00 -3.30 0.00 0.00 52.55 49.80 1fit s ASP 106 Cb 0.00 -1.16 0.00 0.00 -1.09 0.00 0.00 42.92 40.67 1fit s ASP 106 CO 0.00 -1.68 0.00 0.00 0.70 0.00 0.00 175.17 174.19 1fit n ALA 127 N -3.03 0.00 1.33 2.11 0.00 -1.26 -5.08 120.51 114.58 1fit n ALA 127 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1fit n ALA 127 Cb 0.61 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.44 1fit n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1fit n SER 128 N 3.66 1.96 -4.56 0.00 3.41 -1.26 -4.96 113.62 111.86 1fit n SER 128 Ca 0.00 -1.64 -0.45 0.00 -0.26 0.00 0.00 58.87 56.52 1fit n SER 128 Cb 0.00 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1fit n SER 128 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1fit n TRP 129 N 0.51 1.04 -3.91 7.33 -0.00 -1.26 -4.36 117.44 116.80 1fit n TRP 129 Ca 0.17 0.74 -0.09 0.00 -0.00 0.00 0.00 57.50 58.32 1fit n TRP 129 Cb 0.43 -2.21 -0.07 0.00 -0.00 0.00 0.00 31.31 29.46 1fit n TRP 129 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 177.69 176.71 1fit s ARG 130 N -1.47 1.03 0.73 5.87 3.03 -1.01 -5.01 118.95 122.12 1fit s ARG 130 Ca 0.59 -1.08 -0.12 0.00 2.03 0.00 0.00 55.73 57.16 1fit s ARG 130 Cb -0.73 0.37 0.03 0.00 -1.03 0.00 0.00 34.95 33.58 1fit s ARG 130 CO 0.59 -0.36 1.09 -1.54 -1.13 0.00 0.00 175.30 173.95 1fit s SER 131 N -2.92 4.87 0.43 -2.89 1.04 -1.26 -4.94 113.70 108.03 1fit s SER 131 Ca 0.12 1.81 0.10 0.00 0.48 0.00 0.00 55.95 58.47 1fit s SER 131 Cb 0.04 -2.52 0.96 0.00 0.10 0.00 0.00 66.02 64.59 1fit s SER 131 CO -0.05 -1.79 2.04 -0.33 0.98 0.00 0.00 173.24 174.10 1fit h GLU 132 N -0.74 0.44 -0.62 4.02 5.08 -2.01 -1.86 114.58 118.88 1fit h GLU 132 Ca -0.44 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 1fit h GLU 132 Cb 1.23 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1fit h GLU 132 CO 0.53 0.29 0.02 1.49 -1.00 0.00 0.00 179.01 180.34 1fit h GLU 133 N 0.45 1.08 -1.31 2.33 4.81 -2.01 0.13 114.58 120.06 1fit h GLU 133 Ca 0.18 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1fit h GLU 133 Cb 0.15 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1fit h GLU 133 CO -0.04 1.04 0.00 -1.91 -0.73 0.00 0.00 179.01 177.37 1fit n GLU 134 N -4.18 0.50 0.00 1.92 2.13 -0.70 -0.79 120.64 119.51 1fit n GLU 134 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1fit n GLU 134 Cb 0.34 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1fit n GLU 134 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fit n ALA 136 N 0.66 0.00 -0.13 4.31 0.00 0.44 -1.46 120.51 124.32 1fit n ALA 136 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1fit n ALA 136 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 1fit n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fit h ALA 137 N 0.00 0.52 -0.73 0.00 0.00 -1.22 -0.92 119.26 116.92 1fit h ALA 137 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1fit h ALA 137 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1fit h ALA 137 CO 0.00 0.25 0.45 1.49 0.00 0.00 0.00 179.25 181.43 1fit h GLU 138 N 0.50 0.98 -0.37 0.00 4.81 -1.52 -1.27 114.58 117.71 1fit h GLU 138 Ca 0.12 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1fit h GLU 138 Cb 0.39 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1fit h GLU 138 CO 0.01 0.69 -0.11 0.00 -0.73 0.00 0.00 179.01 178.87 1fit h ALA 139 N 1.24 1.12 -0.43 2.92 0.00 -1.78 -2.09 119.26 120.23 1fit h ALA 139 Ca 0.26 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1fit h ALA 139 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1fit h ALA 139 CO -0.05 0.55 -0.18 0.00 0.00 0.00 0.00 179.25 179.58 1fit h ALA 140 N 1.29 0.87 -0.11 0.00 0.00 -0.67 -1.03 119.26 119.61 1fit h ALA 140 Ca 0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1fit h ALA 140 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1fit h ALA 140 CO 0.03 0.64 0.07 0.00 0.00 0.00 0.00 179.25 179.99 1fit h ALA 141 N 1.06 0.15 -0.63 0.00 0.00 -0.97 -3.11 119.26 115.76 1fit h ALA 141 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1fit h ALA 141 Cb 0.70 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1fit h ALA 141 CO 0.05 -0.34 0.30 -0.07 0.00 0.00 0.00 179.25 179.19 1fit h LEU 142 N 0.12 0.79 -1.71 0.00 3.38 -1.21 -2.81 115.31 113.89 1fit h LEU 142 Ca 0.04 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1fit h LEU 142 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1fit h LEU 142 CO -0.01 0.68 0.23 0.03 0.09 0.00 0.00 178.44 179.46 1fit h ARG 143 N 0.88 0.38 -0.91 1.13 3.08 -1.11 -2.27 114.38 115.56 1fit h ARG 143 Ca 0.22 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.41 1fit h ARG 143 Cb 0.09 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1fit h ARG 143 CO -0.03 0.25 0.59 0.28 -1.07 0.00 0.00 179.97 179.99 1fit h VAL 144 N 0.39 0.77 0.00 2.04 2.07 -1.53 -0.64 116.25 119.35 1fit h VAL 144 Ca 0.14 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1fit h VAL 144 Cb 0.07 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1fit h VAL 144 CO -0.03 0.11 0.00 1.88 0.02 0.00 0.00 177.57 179.55 1fit h TYR 145 N 0.62 0.00 -0.13 1.57 -1.99 -1.55 -3.01 116.97 112.48 1fit h TYR 145 Ca 0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.20 1fit h TYR 145 Cb 0.88 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.61 1fit h TYR 145 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.35 1fit n PHE 146 N -2.69 0.14 0.11 4.88 3.72 -0.26 -5.09 117.46 118.27 1fit n PHE 146 Ca 0.02 -0.09 0.01 0.00 -0.05 0.00 0.00 57.45 57.34 1fit n PHE 146 Cb 0.29 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.88 1fit n PHE 146 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75