#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b7t n GLN 14 N 0.00 2.35 0.01 0.54 1.13 -1.26 -4.52 117.38 115.63 1b7t n GLN 14 Ca 0.00 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.17 1b7t n GLN 14 Cb 0.00 -0.79 -0.09 0.00 0.11 0.00 0.00 30.24 29.47 1b7t n GLN 14 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1b7t n LYS 15 N -1.33 0.35 0.08 -1.09 3.00 -1.26 -2.56 118.16 115.35 1b7t n LYS 15 Ca 0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.31 58.17 1b7t n LYS 15 Cb 0.27 -1.55 -0.05 0.00 0.00 0.00 0.00 35.03 33.69 1b7t n LYS 15 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1b7t h GLN 16 N 0.00 0.08 0.07 1.64 7.50 -2.01 -3.18 115.11 119.21 1b7t h GLN 16 Ca 0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 58.65 59.04 1b7t h GLN 16 Cb 0.77 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.34 1b7t h GLN 16 CO 0.00 0.96 -0.03 0.82 -1.50 0.00 0.00 178.83 179.08 1b7t h ILE 17 N 0.03 1.16 -0.98 2.54 1.08 -1.79 -2.76 117.51 116.79 1b7t h ILE 17 Ca -0.03 -1.50 0.34 0.00 -0.39 0.00 0.00 64.86 63.27 1b7t h ILE 17 Cb 1.64 2.04 -0.16 0.00 -3.07 0.00 0.00 36.82 37.27 1b7t h ILE 17 CO 0.13 0.34 0.47 1.56 -0.69 0.00 0.00 178.15 179.96 1b7t h GLN 18 N -0.85 0.18 0.10 2.37 1.08 -1.57 0.22 115.11 116.64 1b7t h GLN 18 Ca -0.01 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1b7t h GLN 18 Cb 0.62 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1b7t h GLN 18 CO 0.02 0.12 -0.05 1.05 -0.95 0.00 0.00 178.83 179.01 1b7t h GLU 19 N 0.18 -0.13 -0.90 1.46 -0.00 -1.61 -2.90 114.58 110.67 1b7t h GLU 19 Ca 0.73 0.01 0.16 0.00 -0.00 0.00 0.00 59.36 60.26 1b7t h GLU 19 Cb 1.74 0.03 -0.16 0.00 -0.00 0.00 0.00 28.75 30.36 1b7t h GLU 19 CO -0.69 0.35 -0.32 0.52 -0.00 0.00 0.00 179.01 178.87 1b7t h MET 20 N -0.72 -0.03 0.06 1.06 2.07 -0.32 0.40 114.93 117.46 1b7t h MET 20 Ca -0.01 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1b7t h MET 20 Cb 0.55 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 1b7t h MET 20 CO 0.02 -0.02 -0.04 0.87 1.07 0.00 0.00 176.91 178.82 1b7t h LYS 21 N -0.03 -0.09 -1.63 1.72 1.57 -1.25 0.44 116.57 117.30 1b7t h LYS 21 Ca 0.36 0.01 0.49 0.00 -1.87 0.00 0.00 60.65 59.64 1b7t h LYS 21 Cb 0.62 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.86 1b7t h LYS 21 CO -0.93 -0.06 1.15 1.05 -0.57 0.00 0.00 179.45 180.09 1b7t h GLU 22 N -0.09 0.03 0.28 3.15 9.09 -1.21 0.46 114.58 126.29 1b7t h GLU 22 Ca -0.01 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 1b7t h GLU 22 Cb 0.07 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1b7t h GLU 22 CO 0.01 0.02 -0.14 0.00 0.05 0.00 0.00 179.01 178.95 1b7t h ALA 23 N 1.26 -0.54 -1.53 1.06 0.00 0.29 -2.69 119.26 117.11 1b7t h ALA 23 Ca 0.83 -0.08 0.46 0.00 0.00 0.00 0.00 54.91 56.12 1b7t h ALA 23 Cb 3.13 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 20.97 1b7t h ALA 23 CO -0.13 -0.51 1.05 0.35 0.00 0.00 0.00 179.25 180.02 1b7t h PHE 24 N -0.74 0.25 0.33 0.00 3.04 0.42 0.54 116.94 120.76 1b7t h PHE 24 Ca -0.04 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1b7t h PHE 24 Cb 0.29 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1b7t h PHE 24 CO 0.04 -0.09 -0.16 1.03 -2.02 0.00 0.00 178.31 177.11 1b7t h SER 25 N 0.05 -0.37 0.08 0.41 0.87 -0.49 0.25 113.55 114.36 1b7t h SER 25 Ca 0.81 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 61.19 1b7t h SER 25 Cb 2.92 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 64.97 1b7t h SER 25 CO -0.19 -0.05 -0.15 0.24 -0.53 0.00 0.00 176.83 176.15 1b7t h MET 26 N -0.71 0.14 0.01 2.24 2.86 0.29 -2.88 114.93 116.88 1b7t h MET 26 Ca -0.04 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 1b7t h MET 26 Cb 0.49 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.14 1b7t h MET 26 CO 0.07 0.29 -0.44 0.82 1.06 0.00 0.00 176.91 178.71 1b7t h ILE 27 N 0.14 1.49 -0.42 -1.22 5.03 -0.83 -3.37 117.51 118.33 1b7t h ILE 27 Ca 0.03 -2.05 -0.50 0.00 -0.12 0.00 0.00 64.86 62.22 1b7t h ILE 27 Cb 0.35 2.72 -0.03 0.00 -3.03 0.00 0.00 36.82 36.83 1b7t h ILE 27 CO 0.02 0.58 1.71 -0.67 -0.68 0.00 0.00 178.15 179.11 1b7t n ASP 28 N -4.35 3.41 0.45 1.72 2.03 0.88 -4.54 116.55 116.15 1b7t n ASP 28 Ca -0.10 -2.75 -0.19 0.00 0.52 0.00 0.00 54.79 52.27 1b7t n ASP 28 Cb 0.60 -1.61 -0.09 0.00 -0.72 0.00 0.00 41.12 39.30 1b7t n ASP 28 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1b7t h VAL 29 N 5.54 0.00 0.00 5.18 -1.51 -1.74 -2.46 116.25 121.27 1b7t h VAL 29 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.80 1b7t h VAL 29 Cb 0.85 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 1b7t h VAL 29 CO 1.47 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.91 1b7t n ASP 30 N -5.40 0.34 -1.78 4.19 5.68 -1.26 -4.72 116.55 113.59 1b7t n ASP 30 Ca -0.15 -0.28 -0.05 0.00 -0.50 0.00 0.00 54.79 53.81 1b7t n ASP 30 Cb 0.49 -0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 40.39 1b7t n ASP 30 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1b7t n ARG 31 N 0.77 -0.98 -0.65 0.11 -4.01 -0.93 -4.72 116.66 106.25 1b7t n ARG 31 Ca 0.00 0.02 0.08 0.00 -1.04 0.00 0.00 57.85 56.90 1b7t n ARG 31 Cb 0.06 -0.56 0.34 0.00 -3.04 0.00 0.00 32.46 29.26 1b7t n ARG 31 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1b7t n ASP 32 N 0.37 4.66 -0.87 2.89 5.75 -1.26 -4.93 116.55 123.17 1b7t n ASP 32 Ca 0.01 -2.56 -0.11 0.00 -0.01 0.00 0.00 54.79 52.12 1b7t n ASP 32 Cb 0.05 -0.59 -0.05 0.00 -1.03 0.00 0.00 41.12 39.50 1b7t n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b7t n GLY 33 N 0.88 1.19 3.08 6.12 0.00 -1.26 -4.97 105.19 110.23 1b7t n GLY 33 Ca 0.24 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1b7t n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b7t s PHE 34 N -2.22 0.26 -0.23 1.61 0.40 -1.26 -4.33 117.98 112.21 1b7t s PHE 34 Ca 0.00 -0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1b7t s PHE 34 Cb 0.00 -0.19 -0.01 0.00 0.51 0.00 0.00 43.02 43.34 1b7t s PHE 34 CO 0.00 -0.33 -0.03 0.08 0.70 0.00 0.00 175.22 175.64 1b7t s VAL 35 N -2.55 3.42 0.27 -0.44 1.01 -1.03 -4.75 120.40 116.34 1b7t s VAL 35 Ca -0.06 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.53 1b7t s VAL 35 Cb -0.02 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1b7t s VAL 35 CO -0.05 0.40 -0.10 -0.94 0.00 0.00 0.00 175.10 174.41 1b7t s SER 36 N 1.48 4.06 0.46 3.32 1.04 -1.26 -4.43 113.70 118.37 1b7t s SER 36 Ca 0.06 -0.84 0.31 0.00 0.48 0.00 0.00 55.95 55.95 1b7t s SER 36 Cb -0.14 -0.57 1.41 0.00 0.10 0.00 0.00 66.02 66.82 1b7t s SER 36 CO -0.03 0.02 1.68 0.11 0.98 0.00 0.00 173.24 176.00 1b7t h LYS 37 N 2.08 0.12 0.00 4.02 1.57 -1.99 1.66 116.57 124.04 1b7t h LYS 37 Ca -0.42 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.20 1b7t h LYS 37 Cb 1.25 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1b7t h LYS 37 CO 0.60 0.08 -0.74 0.93 -0.57 0.00 0.00 179.45 179.76 1b7t h GLU 38 N 0.13 0.00 0.19 3.15 3.07 -1.98 -2.40 114.58 116.74 1b7t h GLU 38 Ca 0.75 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.60 1b7t h GLU 38 Cb 2.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.36 1b7t h GLU 38 CO -0.28 0.74 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.54 1b7t h ASP 39 N 0.00 -0.22 0.91 1.42 5.19 0.21 -0.01 116.42 123.92 1b7t h ASP 39 Ca -0.01 -0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.18 1b7t h ASP 39 Cb 1.50 0.06 0.01 0.00 0.18 0.00 0.00 39.33 41.07 1b7t h ASP 39 CO 0.10 0.06 -0.44 0.40 -3.12 0.00 0.00 179.24 176.23 1b7t h ILE 40 N -0.50 0.00 -0.69 0.35 2.04 -1.41 -2.67 117.51 114.62 1b7t h ILE 40 Ca -0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 1b7t h ILE 40 Cb 0.38 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.34 1b7t h ILE 40 CO 0.04 0.00 0.05 0.50 0.00 0.00 0.00 178.15 178.74 1b7t h LYS 41 N -1.23 0.14 0.00 2.37 3.64 -1.51 -1.36 116.57 118.62 1b7t h LYS 41 Ca -0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1b7t h LYS 41 Cb 0.94 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1b7t h LYS 41 CO 0.20 0.09 0.00 0.00 -2.27 0.00 0.00 179.45 177.47 1b7t n ALA 42 N -2.82 -0.10 -0.25 5.00 0.00 -0.02 -2.53 120.51 119.80 1b7t n ALA 42 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1b7t n ALA 42 Cb 0.42 0.23 0.32 0.00 0.00 0.00 0.00 19.45 20.42 1b7t n ALA 42 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1b7t h ILE 43 N 0.00 0.98 0.14 0.00 2.10 -1.31 -2.82 117.51 116.60 1b7t h ILE 43 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1b7t h ILE 43 Cb 0.00 0.07 -0.03 0.00 -1.09 0.00 0.00 36.82 35.77 1b7t h ILE 43 CO 0.00 0.15 -0.33 0.28 -1.08 0.00 0.00 178.15 177.17 1b7t h SER 44 N 0.84 -0.97 -0.97 2.19 0.02 -1.19 -2.04 113.55 111.43 1b7t h SER 44 Ca 0.38 0.10 0.24 0.00 -0.84 0.00 0.00 61.79 61.67 1b7t h SER 44 Cb 0.38 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 1b7t h SER 44 CO -0.15 -0.37 0.64 -0.33 -1.14 0.00 0.00 176.83 175.48 1b7t h GLU 45 N -0.52 0.36 0.00 3.45 3.07 -1.33 0.58 114.58 120.20 1b7t h GLU 45 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1b7t h GLU 45 Cb 0.50 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1b7t h GLU 45 CO -0.15 0.24 0.00 0.94 -1.40 0.00 0.00 179.01 178.64 1b7t n GLN 46 N -4.53 0.03 0.00 2.33 7.27 -0.78 -4.36 117.38 117.35 1b7t n GLN 46 Ca 0.22 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1b7t n GLN 46 Cb 0.80 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.86 1b7t n GLN 46 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1b7t n LEU 47 N -1.65 0.00 -4.73 1.69 4.77 0.19 -5.10 117.00 112.16 1b7t n LEU 47 Ca 0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 1b7t n LEU 47 Cb 0.10 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1b7t n LEU 47 CO 0.08 0.00 -0.22 -0.83 -1.33 0.00 0.00 177.39 175.10 1b7t s GLY 48 N -1.49 2.71 0.46 -0.72 0.00 -0.24 -5.08 107.32 102.96 1b7t s GLY 48 Ca 0.00 -1.28 -0.21 0.00 0.00 0.00 0.00 44.72 43.23 1b7t s GLY 48 CO 0.00 -2.10 0.42 -0.96 0.00 0.00 0.00 173.10 170.46 1b7t n ARG 49 N -1.23 0.43 -4.20 2.90 -4.01 -1.26 -3.43 116.66 105.86 1b7t n ARG 49 Ca -0.11 0.16 -0.23 0.00 -1.04 0.00 0.00 57.85 56.64 1b7t n ARG 49 Cb 0.66 -1.44 -0.07 0.00 -3.04 0.00 0.00 32.46 28.57 1b7t n ARG 49 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1b7t s ALA 50 N -1.61 3.34 0.67 2.89 0.00 -1.26 -4.73 121.76 121.04 1b7t s ALA 50 Ca 0.63 -1.72 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 1b7t s ALA 50 Cb -0.56 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1b7t s ALA 50 CO 0.59 0.16 1.11 -2.14 0.00 0.00 0.00 175.76 175.47 1b7t s PRO 51 N -3.76 2.77 0.64 0.00 0.02 -1.26 -5.04 135.00 128.38 1b7t s PRO 51 Ca 0.34 1.35 -0.11 0.00 0.02 0.00 0.00 61.00 62.61 1b7t s PRO 51 Cb -0.05 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1b7t s PRO 51 CO 0.21 -1.27 1.05 0.16 -0.33 0.00 0.00 177.00 176.82 1b7t s ASP 52 N -2.69 6.03 0.23 2.53 3.84 -1.26 -4.71 116.67 120.63 1b7t s ASP 52 Ca 0.66 1.34 -0.15 0.00 -0.00 0.00 0.00 52.55 54.40 1b7t s ASP 52 Cb -0.20 -2.33 0.27 0.00 -1.38 0.00 0.00 42.92 39.28 1b7t s ASP 52 CO 0.43 -0.99 1.48 0.47 -0.00 0.00 0.00 175.17 176.55 1b7t n ASP 53 N -2.81 -0.57 -0.33 2.11 9.92 -1.26 0.44 116.55 124.05 1b7t n ASP 53 Ca 0.06 1.65 0.09 0.00 -0.53 0.00 0.00 54.79 56.06 1b7t n ASP 53 Cb 0.55 -0.40 0.28 0.00 -0.64 0.00 0.00 41.12 40.91 1b7t n ASP 53 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1b7t h LYS 54 N 0.00 0.88 -0.09 -1.24 2.10 -1.99 0.49 116.57 116.72 1b7t h LYS 54 Ca 0.35 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.94 1b7t h LYS 54 Cb 0.59 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1b7t h LYS 54 CO -0.95 0.58 0.00 0.93 -2.00 0.00 0.00 179.45 178.02 1b7t h GLU 55 N 0.90 0.16 -0.73 0.07 5.08 -0.35 -2.36 114.58 117.36 1b7t h GLU 55 Ca 0.48 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 1b7t h GLU 55 Cb 0.56 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1b7t h GLU 55 CO -0.25 0.41 0.28 -0.07 -1.00 0.00 0.00 179.01 178.38 1b7t h LEU 56 N -0.10 1.00 0.37 1.33 3.38 -0.18 -1.11 115.31 120.00 1b7t h LEU 56 Ca 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1b7t h LEU 56 Cb 0.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1b7t h LEU 56 CO 0.00 0.89 -0.18 0.74 0.09 0.00 0.00 178.44 179.99 1b7t h THR 57 N 1.06 0.00 0.00 0.22 2.02 0.03 -2.65 112.91 113.59 1b7t h THR 57 Ca 0.24 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1b7t h THR 57 Cb 0.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1b7t h THR 57 CO -0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.87 1b7t h ALA 58 N -1.75 1.00 0.00 6.16 0.00 -1.48 -0.65 119.26 122.54 1b7t h ALA 58 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1b7t h ALA 58 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1b7t h ALA 58 CO 0.08 0.00 -0.36 1.98 0.00 0.00 0.00 179.25 180.95 1b7t h MET 59 N 0.00 0.00 0.04 0.00 -1.53 -1.04 -3.11 114.93 109.29 1b7t h MET 59 Ca 0.00 0.00 -0.38 0.00 -3.44 0.00 0.00 59.70 55.88 1b7t h MET 59 Cb 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.14 1b7t h MET 59 CO 0.00 0.36 -2.19 1.28 0.14 0.00 0.00 176.91 176.50 1b7t n LEU 60 N -3.57 2.60 0.08 3.39 4.77 -0.38 -4.05 117.00 119.85 1b7t n LEU 60 Ca -0.00 0.11 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1b7t n LEU 60 Cb 0.49 -0.98 0.16 0.00 -2.33 0.00 0.00 43.42 40.76 1b7t n LEU 60 CO 0.36 0.79 0.64 0.29 -1.33 0.00 0.00 177.39 178.15 1b7t n LYS 61 N -3.60 0.04 0.00 3.23 5.02 -0.47 0.10 118.16 122.49 1b7t n LYS 61 Ca -0.41 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1b7t n LYS 61 Cb 0.96 -1.90 0.46 0.00 -0.02 0.00 0.00 35.03 34.53 1b7t n LYS 61 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1b7t n GLU 62 N -1.64 0.14 -3.94 1.97 1.02 -1.18 -4.43 120.64 112.58 1b7t n GLU 62 Ca -0.00 0.13 -0.31 0.00 -0.02 0.00 0.00 57.16 56.96 1b7t n GLU 62 Cb 0.28 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.05 1b7t n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b7t s ALA 63 N -2.79 2.17 0.04 0.62 0.00 0.29 -4.97 121.76 117.11 1b7t s ALA 63 Ca 0.14 -1.72 -0.08 0.00 0.00 0.00 0.00 51.96 50.30 1b7t s ALA 63 Cb 0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1b7t s ALA 63 CO 0.33 -1.38 0.54 -2.30 0.00 0.00 0.00 175.76 172.95 1b7t n PRO 64 N 4.58 -0.11 -4.55 0.00 -0.02 -1.26 -4.65 135.00 128.98 1b7t n PRO 64 Ca -0.07 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 1b7t n PRO 64 Cb 0.43 -0.79 -0.07 0.00 -0.02 0.00 0.00 33.50 33.06 1b7t n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b7t n GLY 65 N -1.06 3.47 1.21 -1.23 0.00 -1.26 -5.07 105.19 101.25 1b7t n GLY 65 Ca 0.01 -2.29 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 1b7t n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b7t n PRO 66 N -1.14 0.00 -3.01 1.61 -0.02 -1.26 -4.82 135.00 126.37 1b7t n PRO 66 Ca -0.16 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.88 1b7t n PRO 66 Cb 0.62 -0.37 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 1b7t n PRO 66 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1b7t n LEU 67 N 0.88 5.79 -4.90 2.45 4.77 -1.26 -4.69 117.00 120.05 1b7t n LEU 67 Ca 0.04 -4.85 -0.29 0.00 -0.03 0.00 0.00 56.01 50.88 1b7t n LEU 67 Cb 0.15 -1.48 0.11 0.00 -2.33 0.00 0.00 43.42 39.88 1b7t n LEU 67 CO 0.20 1.24 0.80 0.54 -1.33 0.00 0.00 177.39 178.85 1b7t s ASN 68 N 1.06 4.18 0.00 -1.43 6.03 -1.26 -2.45 114.94 121.07 1b7t s ASN 68 Ca 0.36 0.69 0.04 0.00 -1.03 0.00 0.00 52.86 52.92 1b7t s ASN 68 Cb -0.02 -1.10 0.24 0.00 -3.03 0.00 0.00 41.25 37.35 1b7t s ASN 68 CO -0.01 -2.10 0.73 0.33 -2.03 0.00 0.00 177.10 174.02 1b7t n PHE 69 N -3.43 0.00 -0.06 1.54 7.35 -1.26 -2.80 117.46 118.79 1b7t n PHE 69 Ca 0.09 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.74 1b7t n PHE 69 Cb 0.61 -0.01 -0.01 0.00 0.35 0.00 0.00 39.48 40.41 1b7t n PHE 69 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1b7t n THR 70 N -1.01 1.27 0.13 -2.13 -1.04 -1.26 -3.22 114.28 107.02 1b7t n THR 70 Ca 0.03 0.24 0.08 0.00 -2.04 0.00 0.00 64.05 62.37 1b7t n THR 70 Cb 0.01 -2.30 0.45 0.00 -1.82 0.00 0.00 70.33 66.68 1b7t n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1b7t n MET 71 N -4.36 0.11 0.00 -2.82 0.00 -1.16 -1.02 117.12 107.87 1b7t n MET 71 Ca -0.07 0.60 0.00 0.00 -0.00 0.00 0.00 57.70 58.23 1b7t n MET 71 Cb 0.26 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.61 1b7t n MET 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1b7t n PHE 72 N -2.08 0.00 0.11 1.12 7.35 -1.12 -2.41 117.46 120.43 1b7t n PHE 72 Ca -0.01 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.87 1b7t n PHE 72 Cb 0.04 -0.38 0.68 0.00 0.35 0.00 0.00 39.48 40.17 1b7t n PHE 72 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1b7t h LEU 73 N 0.00 0.00 0.40 -2.13 3.38 -1.39 -1.42 115.31 114.15 1b7t h LEU 73 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1b7t h LEU 73 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1b7t h LEU 73 CO 0.00 0.00 -0.19 0.77 0.09 0.00 0.00 178.44 179.11 1b7t h SER 74 N 0.00 -0.46 0.06 -0.43 4.64 -1.07 -1.71 113.55 114.58 1b7t h SER 74 Ca 0.18 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 1b7t h SER 74 Cb 1.31 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 1b7t h SER 74 CO -0.00 -0.06 -0.24 0.16 -0.87 0.00 0.00 176.83 175.83 1b7t h ILE 75 N -0.96 1.24 -0.41 0.95 3.07 -0.92 -1.56 117.51 118.92 1b7t h ILE 75 Ca -0.06 -1.12 -0.11 0.00 1.55 0.00 0.00 64.86 65.12 1b7t h ILE 75 Cb 0.55 1.37 -0.01 0.00 -0.27 0.00 0.00 36.82 38.46 1b7t h ILE 75 CO 0.09 0.35 -0.16 -0.26 -1.05 0.00 0.00 178.15 177.12 1b7t h PHE 76 N 0.28 0.95 -0.12 0.16 -1.00 -1.45 -2.90 116.94 112.85 1b7t h PHE 76 Ca 0.05 -0.22 -0.12 0.00 2.81 0.00 0.00 57.97 60.49 1b7t h PHE 76 Cb 0.57 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1b7t h PHE 76 CO 0.01 0.98 -0.43 0.77 -1.61 0.00 0.00 178.31 178.03 1b7t h SER 77 N 0.64 0.30 0.01 2.17 0.02 -1.10 -2.53 113.55 113.07 1b7t h SER 77 Ca 0.10 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1b7t h SER 77 Cb 0.71 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1b7t h SER 77 CO 0.05 0.70 0.00 0.47 -1.14 0.00 0.00 176.83 176.92 1b7t n ASP 78 N -4.01 0.00 -0.03 3.07 9.92 -0.61 -2.93 116.55 121.97 1b7t n ASP 78 Ca -0.02 -0.84 -0.02 0.00 -0.53 0.00 0.00 54.79 53.38 1b7t n ASP 78 Cb 0.50 -0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 40.97 1b7t n ASP 78 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1b7t n LYS 79 N -1.01 0.16 0.00 -1.24 3.00 -0.97 -4.30 118.16 113.81 1b7t n LYS 79 Ca 0.20 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1b7t n LYS 79 Cb 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.13 1b7t n LYS 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1b7t n LEU 80 N -3.10 0.05 -4.69 3.14 4.77 -1.10 -4.67 117.00 111.39 1b7t n LEU 80 Ca -0.03 -0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.57 1b7t n LEU 80 Cb 0.12 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 1b7t n LEU 80 CO 0.05 0.01 -0.26 -0.94 -1.33 0.00 0.00 177.39 174.92 1b7t s SER 81 N -1.39 5.61 0.00 -1.43 1.04 -1.15 -4.54 113.70 111.85 1b7t s SER 81 Ca 0.00 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1b7t s SER 81 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1b7t s SER 81 CO 0.00 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1b7t n GLY 82 N 2.74 0.95 3.14 7.32 0.00 -1.26 -5.02 105.19 113.05 1b7t n GLY 82 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1b7t n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b7t s THR 83 N -1.85 0.18 0.54 2.61 -4.23 -1.26 -5.18 115.64 106.44 1b7t s THR 83 Ca 0.00 -1.67 0.09 0.00 -1.18 0.00 0.00 61.69 58.93 1b7t s THR 83 Cb 0.00 -1.57 0.07 0.00 1.34 0.00 0.00 72.50 72.33 1b7t s THR 83 CO 0.00 -0.81 0.74 -1.81 -0.54 0.00 0.00 174.62 172.19 1b7t s ASP 84 N -2.93 5.23 0.96 3.99 1.01 -1.26 -5.11 116.67 118.56 1b7t s ASP 84 Ca 0.10 -0.69 -0.12 0.00 0.71 0.00 0.00 52.55 52.55 1b7t s ASP 84 Cb 0.07 -0.01 0.16 0.00 1.01 0.00 0.00 42.92 44.15 1b7t s ASP 84 CO -0.08 -1.19 1.09 -0.44 0.21 0.00 0.00 175.17 174.75 1b7t s SER 85 N -4.57 2.91 0.37 0.27 0.01 -1.26 -4.87 113.70 106.56 1b7t s SER 85 Ca 0.60 1.48 0.24 0.00 1.31 0.00 0.00 55.95 59.59 1b7t s SER 85 Cb -0.07 -2.15 0.52 0.00 0.21 0.00 0.00 66.02 64.52 1b7t s SER 85 CO 0.37 -2.99 1.67 -0.08 0.41 0.00 0.00 173.24 172.62 1b7t h GLU 86 N -1.79 0.00 0.09 12.44 4.81 -1.98 -1.58 114.58 126.57 1b7t h GLU 86 Ca -0.52 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.40 1b7t h GLU 86 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1b7t h GLU 86 CO 0.54 0.00 -1.71 1.49 -0.73 0.00 0.00 179.01 178.60 1b7t h GLU 87 N 0.00 0.20 -0.33 1.92 4.81 -1.98 -2.70 114.58 116.50 1b7t h GLU 87 Ca 0.00 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1b7t h GLU 87 Cb 0.90 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1b7t h GLU 87 CO 0.00 1.16 0.14 1.15 -0.73 0.00 0.00 179.01 180.73 1b7t h THR 88 N -0.27 1.13 0.16 0.32 2.02 -1.89 -2.35 112.91 112.03 1b7t h THR 88 Ca -0.38 -0.38 -0.28 0.00 0.77 0.00 0.00 66.41 66.13 1b7t h THR 88 Cb 1.80 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1b7t h THR 88 CO 0.01 0.15 -1.36 0.40 0.37 0.00 0.00 175.52 175.09 1b7t h ILE 89 N 0.46 1.16 0.00 3.11 2.04 -1.43 -2.93 117.51 119.92 1b7t h ILE 89 Ca 0.12 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1b7t h ILE 89 Cb 0.09 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1b7t h ILE 89 CO -0.01 0.76 0.07 -0.09 0.00 0.00 0.00 178.15 178.87 1b7t h ARG 90 N -0.16 0.00 0.08 2.37 2.43 -1.27 -2.00 114.38 115.83 1b7t h ARG 90 Ca -0.27 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.57 1b7t h ARG 90 Cb 1.87 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.40 1b7t h ARG 90 CO 0.14 0.00 -1.83 0.09 -1.51 0.00 0.00 179.97 176.86 1b7t n ASN 91 N -2.84 2.05 0.20 -3.80 5.03 -0.90 -2.31 115.26 112.69 1b7t n ASN 91 Ca -0.02 0.26 0.11 0.00 0.87 0.00 0.00 54.58 55.79 1b7t n ASN 91 Cb 0.12 -0.88 0.60 0.00 -1.02 0.00 0.00 39.78 38.60 1b7t n ASN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1b7t h ALA 92 N -0.11 1.11 0.00 5.41 0.00 -1.18 -0.26 119.26 124.23 1b7t h ALA 92 Ca -0.42 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1b7t h ALA 92 Cb 1.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1b7t h ALA 92 CO -0.01 -0.11 -1.01 1.19 0.00 0.00 0.00 179.25 179.31 1b7t n PHE 93 N -2.34 0.92 0.00 0.00 3.72 -0.94 -3.96 117.46 114.85 1b7t n PHE 93 Ca -0.01 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 1b7t n PHE 93 Cb 0.18 -0.95 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 1b7t n PHE 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b7t n ALA 94 N -3.57 1.26 1.39 4.37 0.00 -0.42 -0.58 120.51 122.97 1b7t n ALA 94 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.34 1b7t n ALA 94 Cb 0.52 -0.99 0.70 0.00 0.00 0.00 0.00 19.45 19.68 1b7t n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1b7t n MET 95 N -1.22 0.57 0.00 0.00 2.81 -0.24 -1.96 117.12 117.07 1b7t n MET 95 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1b7t n MET 95 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1b7t n MET 95 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1b7t n PHE 96 N -1.15 0.00 -2.42 2.03 3.01 0.26 -4.80 117.46 114.38 1b7t n PHE 96 Ca 0.15 -0.21 -0.34 0.00 1.01 0.00 0.00 57.45 58.07 1b7t n PHE 96 Cb 0.15 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.61 1b7t n PHE 96 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1b7t n ASP 97 N -0.21 6.06 -0.13 4.37 2.03 -0.83 -4.92 116.55 122.92 1b7t n ASP 97 Ca 0.00 -3.75 -0.03 0.00 0.52 0.00 0.00 54.79 51.53 1b7t n ASP 97 Cb 0.38 -0.80 -0.03 0.00 -0.72 0.00 0.00 41.12 39.94 1b7t n ASP 97 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1b7t n GLU 98 N -0.37 -0.13 0.02 -0.67 0.28 -1.26 0.13 120.64 118.63 1b7t n GLU 98 Ca 0.44 0.72 0.02 0.00 -0.16 0.00 0.00 57.16 58.18 1b7t n GLU 98 Cb 0.40 -1.07 0.09 0.00 1.43 0.00 0.00 31.44 32.30 1b7t n GLU 98 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1b7t n GLN 99 N -3.70 0.02 -3.11 3.44 1.13 -1.26 -4.86 117.38 109.03 1b7t n GLN 99 Ca 0.01 0.50 -0.12 0.00 -1.94 0.00 0.00 57.00 55.44 1b7t n GLN 99 Cb 0.08 -1.56 0.06 0.00 0.11 0.00 0.00 30.24 28.93 1b7t n GLN 99 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1b7t n GLU 100 N -1.60 -2.00 -0.00 -1.09 0.28 0.35 -4.95 120.64 111.64 1b7t n GLU 100 Ca 0.00 0.88 0.08 0.00 -0.16 0.00 0.00 57.16 57.96 1b7t n GLU 100 Cb 0.02 -5.53 -0.10 0.00 1.43 0.00 0.00 31.44 27.26 1b7t n GLU 100 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1b7t n THR 101 N -2.95 0.00 -2.87 3.84 5.66 -1.26 -5.01 114.28 111.69 1b7t n THR 101 Ca -0.06 -0.19 -0.11 0.00 -3.05 0.00 0.00 64.05 60.65 1b7t n THR 101 Cb 0.60 0.77 0.06 0.00 -1.55 0.00 0.00 70.33 70.20 1b7t n THR 101 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1b7t n LYS 102 N -1.57 -3.83 -3.62 1.09 4.76 -1.26 -5.03 118.16 108.70 1b7t n LYS 102 Ca 0.01 0.54 -0.05 0.00 -2.87 0.00 0.00 58.31 55.94 1b7t n LYS 102 Cb 0.30 -4.58 -0.05 0.00 -1.84 0.00 0.00 35.03 28.86 1b7t n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1b7t s LYS 103 N -4.73 0.24 0.03 1.97 3.01 -1.26 -4.56 119.74 114.44 1b7t s LYS 103 Ca 0.04 0.10 0.09 0.00 -1.01 0.00 0.00 55.97 55.18 1b7t s LYS 103 Cb -0.00 0.11 -0.03 0.00 -1.01 0.00 0.00 37.83 36.90 1b7t s LYS 103 CO 0.46 -0.07 -0.25 -0.51 0.51 0.00 0.00 175.35 175.49 1b7t s LEU 104 N -0.82 2.14 -0.20 3.17 1.43 -0.96 -4.88 118.68 118.56 1b7t s LEU 104 Ca 0.05 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 1b7t s LEU 104 Cb -0.02 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 1b7t s LEU 104 CO -0.06 0.26 1.13 0.21 0.23 0.00 0.00 176.35 178.12 1b7t s ASN 105 N -1.08 7.04 0.26 2.29 3.84 -1.26 0.88 114.94 126.90 1b7t s ASN 105 Ca 0.11 1.51 0.07 0.00 0.21 0.00 0.00 52.86 54.76 1b7t s ASN 105 Cb -0.10 -2.54 0.77 0.00 -0.55 0.00 0.00 41.25 38.83 1b7t s ASN 105 CO 0.01 -0.71 1.22 0.00 -2.79 0.00 0.00 177.10 174.84 1b7t n ILE 106 N 5.33 -0.33 -0.02 -5.21 0.13 -0.48 0.60 119.36 119.39 1b7t n ILE 106 Ca 0.13 1.66 -0.03 0.00 -1.10 0.00 0.00 62.75 63.41 1b7t n ILE 106 Cb 0.46 -2.52 0.21 0.00 -0.84 0.00 0.00 39.64 36.95 1b7t n ILE 106 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1b7t h GLU 107 N 0.00 0.58 0.33 9.51 3.07 -1.91 -2.21 114.58 123.96 1b7t h GLU 107 Ca 0.54 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 59.21 1b7t h GLU 107 Cb 1.26 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1b7t h GLU 107 CO -0.68 0.69 -0.16 -0.92 -1.40 0.00 0.00 179.01 176.54 1b7t h TYR 108 N 0.53 -0.42 -0.29 4.33 3.20 -0.22 -1.55 116.97 122.55 1b7t h TYR 108 Ca 0.10 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.02 1b7t h TYR 108 Cb 0.53 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 1b7t h TYR 108 CO 0.02 -0.26 -0.25 0.97 -1.64 0.00 0.00 178.16 177.00 1b7t h ILE 109 N -0.50 0.36 -0.93 1.81 6.09 -1.54 0.17 117.51 122.98 1b7t h ILE 109 Ca -0.05 0.00 0.19 0.00 -1.37 0.00 0.00 64.86 63.64 1b7t h ILE 109 Cb 0.34 0.36 -0.11 0.00 0.47 0.00 0.00 36.82 37.88 1b7t h ILE 109 CO 0.08 0.00 0.50 0.11 -3.07 0.00 0.00 178.15 175.76 1b7t h LYS 110 N -0.24 0.58 -0.33 2.19 1.57 -1.47 -0.04 116.57 118.83 1b7t h LYS 110 Ca 0.15 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1b7t h LYS 110 Cb 0.48 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1b7t h LYS 110 CO -0.43 0.38 0.06 0.22 -0.57 0.00 0.00 179.45 179.12 1b7t h ASP 111 N 0.60 0.52 0.54 0.86 3.58 0.29 -0.96 116.42 121.84 1b7t h ASP 111 Ca 0.55 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 1b7t h ASP 111 Cb 0.92 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1b7t h ASP 111 CO -0.43 0.63 -0.44 -0.07 -2.88 0.00 0.00 179.24 176.06 1b7t h LEU 112 N 0.38 -1.17 -0.40 2.28 3.38 0.10 -2.59 115.31 117.30 1b7t h LEU 112 Ca 0.10 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1b7t h LEU 112 Cb 0.33 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1b7t h LEU 112 CO 0.00 -0.61 0.18 -0.07 0.09 0.00 0.00 178.44 178.03 1b7t h LEU 113 N -0.95 0.24 0.26 1.67 3.38 -1.35 -1.72 115.31 116.84 1b7t h LEU 113 Ca -0.07 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1b7t h LEU 113 Cb 0.80 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1b7t h LEU 113 CO 0.00 0.18 -0.31 -0.08 0.09 0.00 0.00 178.44 178.32 1b7t h GLU 114 N 0.36 -0.60 -0.36 1.13 4.57 -1.14 -0.96 114.58 117.58 1b7t h GLU 114 Ca 0.17 0.04 -0.28 0.00 -1.18 0.00 0.00 59.36 58.12 1b7t h GLU 114 Cb 0.11 0.14 -0.34 0.00 -0.16 0.00 0.00 28.75 28.50 1b7t h GLU 114 CO -0.14 -0.40 -0.91 0.27 -1.18 0.00 0.00 179.01 176.65 1b7t n ASN 115 N -5.42 2.46 -3.78 1.04 0.23 -0.98 -3.02 115.26 105.78 1b7t n ASN 115 Ca -0.09 -2.84 -0.14 0.00 -0.53 0.00 0.00 54.58 50.99 1b7t n ASN 115 Cb 0.33 -0.41 -0.15 0.00 -2.08 0.00 0.00 39.78 37.47 1b7t n ASN 115 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1b7t s MET 116 N -2.89 0.03 5.99 -3.83 -1.94 -0.65 -4.90 119.30 111.11 1b7t s MET 116 Ca 0.37 0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.59 1b7t s MET 116 Cb 0.37 -0.17 0.00 0.00 2.01 0.00 0.00 34.83 37.04 1b7t s MET 116 CO -0.05 -0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 1b7t n GLY 117 N 3.99 1.80 3.23 -0.03 0.00 -1.26 -4.04 105.19 108.88 1b7t n GLY 117 Ca -0.25 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1b7t n GLY 117 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b7t n ASP 118 N 8.25 5.01 -3.35 1.61 8.00 -1.26 -5.03 116.55 129.78 1b7t n ASP 118 Ca 0.00 -3.09 -0.41 0.00 0.71 0.00 0.00 54.79 52.00 1b7t n ASP 118 Cb 0.00 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.12 39.82 1b7t n ASP 118 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1b7t n ASN 119 N 2.47 -0.43 -2.04 -2.24 4.13 -1.26 -4.96 115.26 110.92 1b7t n ASN 119 Ca 0.23 0.86 0.00 0.00 1.68 0.00 0.00 54.58 57.35 1b7t n ASN 119 Cb 0.38 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1b7t n ASN 119 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1b7t n PHE 120 N 0.61 -3.37 -4.35 3.10 3.01 -0.37 -5.01 117.46 111.09 1b7t n PHE 120 Ca 0.14 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.43 1b7t n PHE 120 Cb 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.49 1b7t n PHE 120 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1b7t s ASN 121 N -1.00 1.74 0.23 4.37 4.22 -1.26 -4.88 114.94 118.35 1b7t s ASN 121 Ca 0.00 -1.30 -0.06 0.00 -2.14 0.00 0.00 52.86 49.36 1b7t s ASN 121 Cb 0.00 0.04 0.37 0.00 1.28 0.00 0.00 41.25 42.94 1b7t s ASN 121 CO 0.00 -0.60 1.77 0.07 -2.04 0.00 0.00 177.10 176.30 1b7t h LYS 122 N 2.37 0.55 -0.07 3.55 5.09 -1.97 0.81 116.57 126.92 1b7t h LYS 122 Ca -0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.31 1b7t h LYS 122 Cb 1.23 -0.12 -0.00 0.00 0.10 0.00 0.00 32.23 33.44 1b7t h LYS 122 CO 0.65 0.37 0.01 -0.44 -2.09 0.00 0.00 179.45 177.94 1b7t h ASP 123 N 0.57 0.11 -1.00 7.07 3.32 -1.98 1.21 116.42 125.72 1b7t h ASP 123 Ca 0.37 -0.29 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1b7t h ASP 123 Cb 0.44 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 1b7t h ASP 123 CO -0.30 0.37 0.64 -0.33 -1.72 0.00 0.00 179.24 177.90 1b7t h GLU 124 N -0.15 1.04 -0.44 3.56 5.08 -1.81 0.75 114.58 122.62 1b7t h GLU 124 Ca 0.02 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1b7t h GLU 124 Cb 0.31 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1b7t h GLU 124 CO 0.00 0.69 0.10 0.52 -1.00 0.00 0.00 179.01 179.32 1b7t h MET 125 N 1.07 0.71 -0.03 2.33 2.86 0.15 -1.21 114.93 120.81 1b7t h MET 125 Ca 0.46 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.84 1b7t h MET 125 Cb 0.33 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.90 1b7t h MET 125 CO -0.21 0.72 -0.30 -0.09 1.06 0.00 0.00 176.91 178.08 1b7t h ARG 126 N 0.58 0.26 -0.91 1.72 2.43 0.28 -2.36 114.38 116.39 1b7t h ARG 126 Ca 0.14 -0.24 0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1b7t h ARG 126 Cb 0.33 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 1b7t h ARG 126 CO 0.00 0.91 0.54 0.52 -1.51 0.00 0.00 179.97 180.43 1b7t h MET 127 N -0.30 0.83 -0.30 0.20 2.07 0.44 0.47 114.93 118.35 1b7t h MET 127 Ca -0.03 -0.05 -0.08 0.00 -2.07 0.00 0.00 59.70 57.47 1b7t h MET 127 Cb 0.99 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.53 1b7t h MET 127 CO 0.06 0.55 -0.12 1.15 1.07 0.00 0.00 176.91 179.62 1b7t h THR 128 N 0.86 1.29 -0.00 2.22 2.02 -1.22 -3.27 112.91 114.80 1b7t h THR 128 Ca 0.45 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1b7t h THR 128 Cb 0.46 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1b7t h THR 128 CO -0.27 0.38 -0.27 0.49 0.37 0.00 0.00 175.52 176.23 1b7t n PHE 129 N -4.43 0.00 0.26 3.16 3.72 -0.89 -3.17 117.46 116.11 1b7t n PHE 129 Ca -0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 1b7t n PHE 129 Cb 0.36 -0.19 0.72 0.00 -0.94 0.00 0.00 39.48 39.42 1b7t n PHE 129 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1b7t h LYS 130 N 0.67 0.00 0.00 -1.08 1.57 -0.96 -3.14 116.57 113.63 1b7t h LYS 130 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1b7t h LYS 130 Cb 0.47 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 1b7t h LYS 130 CO 0.00 0.10 -2.43 0.39 -0.57 0.00 0.00 179.45 176.94 1b7t n GLU 131 N -3.90 0.59 -0.51 3.15 1.02 -1.24 -5.04 120.64 114.72 1b7t n GLU 131 Ca -0.02 0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 57.11 1b7t n GLU 131 Cb 0.19 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 1b7t n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b7t n ALA 132 N -3.59 -1.63 -2.26 0.62 0.00 -1.19 -4.85 120.51 107.60 1b7t n ALA 132 Ca -0.47 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1b7t n ALA 132 Cb 0.93 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1b7t n ALA 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b7t n PRO 133 N 0.44 3.78 -3.53 0.00 -0.04 -1.26 -5.01 135.00 129.38 1b7t n PRO 133 Ca 0.07 -3.49 -0.40 0.00 -0.04 0.00 0.00 63.50 59.63 1b7t n PRO 133 Cb 0.06 -2.88 -0.11 0.00 -0.04 0.00 0.00 33.50 30.53 1b7t n PRO 133 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1b7t s VAL 134 N 0.16 5.23 -0.29 0.52 1.01 -1.26 -3.20 120.40 122.57 1b7t s VAL 134 Ca 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 1b7t s VAL 134 Cb 0.11 -3.71 0.13 0.00 0.00 0.00 0.00 36.38 32.92 1b7t s VAL 134 CO -0.01 -0.03 0.29 -0.70 0.00 0.00 0.00 175.10 174.65 1b7t s GLU 135 N 1.71 0.32 0.00 2.72 2.56 -1.15 -4.80 118.70 120.05 1b7t s GLU 135 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.97 54.89 1b7t s GLU 135 Cb -0.18 -0.67 0.00 0.00 2.00 0.00 0.00 34.13 35.28 1b7t s GLU 135 CO 0.10 -1.02 0.00 0.41 -0.56 0.00 0.00 175.26 174.19 1b7t n GLY 136 N 5.31 1.79 1.73 -1.50 0.00 -1.26 -4.56 105.19 106.70 1b7t n GLY 136 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1b7t n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b7t n GLY 137 N -0.43 2.73 3.68 -0.02 0.00 -1.26 -5.01 105.19 104.88 1b7t n GLY 137 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1b7t n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b7t s LYS 138 N 0.00 4.24 -0.62 1.61 0.00 -1.26 -1.38 119.74 122.33 1b7t s LYS 138 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 55.97 56.24 1b7t s LYS 138 Cb 0.00 -3.53 0.09 0.00 0.00 0.00 0.00 37.83 34.39 1b7t s LYS 138 CO 0.00 -0.08 0.80 0.12 0.00 0.00 0.00 175.35 176.19 1b7t s PHE 139 N 1.40 2.88 -0.49 1.78 5.36 0.25 -2.93 117.98 126.23 1b7t s PHE 139 Ca 0.26 -0.82 -0.26 0.00 -0.96 0.00 0.00 56.93 55.15 1b7t s PHE 139 Cb -0.15 -4.12 -0.06 0.00 -0.34 0.00 0.00 43.02 38.35 1b7t s PHE 139 CO 0.10 -1.42 2.34 0.34 -1.46 0.00 0.00 175.22 175.12 1b7t s ASP 140 N 3.65 4.58 0.00 6.13 -1.08 -1.19 -2.26 116.67 126.50 1b7t s ASP 140 Ca 0.15 1.05 0.24 0.00 -0.52 0.00 0.00 52.55 53.46 1b7t s ASP 140 Cb -0.22 -2.50 1.11 0.00 -1.46 0.00 0.00 42.92 39.85 1b7t s ASP 140 CO 0.08 -2.78 1.78 0.00 0.52 0.00 0.00 175.17 174.76 1b7t n TYR 141 N 15.36 0.00 0.00 -5.34 4.11 -1.26 -2.45 117.16 127.58 1b7t n TYR 141 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.25 1b7t n TYR 141 Cb 0.54 -0.39 0.00 0.00 -0.00 0.00 0.00 39.34 39.49 1b7t n TYR 141 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1b7t n VAL 142 N -1.39 0.00 -0.38 -3.48 0.31 -1.26 -1.62 118.33 110.50 1b7t n VAL 142 Ca 0.09 0.60 0.30 0.00 -0.01 0.00 0.00 64.34 65.31 1b7t n VAL 142 Cb 0.23 -1.56 0.58 0.00 -0.91 0.00 0.00 33.84 32.19 1b7t n VAL 142 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1b7t h LYS 143 N 0.00 0.22 0.00 5.55 1.79 -1.96 1.09 116.57 123.26 1b7t h LYS 143 Ca 0.00 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1b7t h LYS 143 Cb 0.00 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1b7t h LYS 143 CO 0.00 0.14 -0.19 0.35 -1.08 0.00 0.00 179.45 178.68 1b7t h PHE 144 N 0.23 0.00 0.05 -1.35 3.04 -1.58 -1.74 116.94 115.59 1b7t h PHE 144 Ca 0.72 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 62.44 1b7t h PHE 144 Cb 2.06 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.57 1b7t h PHE 144 CO -0.00 0.19 -1.04 1.15 -2.02 0.00 0.00 178.31 176.59 1b7t h THR 145 N 0.00 1.51 0.51 4.41 2.02 0.21 -2.27 112.91 119.31 1b7t h THR 145 Ca -0.00 -2.85 -0.03 0.00 0.77 0.00 0.00 66.41 64.30 1b7t h THR 145 Cb 1.12 2.68 0.01 0.00 -1.74 0.00 0.00 68.15 70.22 1b7t h THR 145 CO 0.02 0.83 -0.25 0.00 0.37 0.00 0.00 175.52 176.50 1b7t h ALA 146 N 0.79 -0.84 -0.95 6.16 0.00 -1.08 -1.27 119.26 122.07 1b7t h ALA 146 Ca -0.08 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 54.95 1b7t h ALA 146 Cb 1.72 0.27 -0.17 0.00 0.00 0.00 0.00 17.79 19.61 1b7t h ALA 146 CO 0.16 -0.79 0.12 1.98 0.00 0.00 0.00 179.25 180.72 1b7t h MET 147 N -0.95 0.05 0.00 0.00 1.85 -1.37 1.44 114.93 115.95 1b7t h MET 147 Ca -0.07 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1b7t h MET 147 Cb 0.53 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.55 1b7t h MET 147 CO 0.12 0.03 0.00 0.97 -0.40 0.00 0.00 176.91 177.63 1b7t h ILE 148 N 0.05 0.00 0.00 1.77 2.10 -1.39 -3.44 117.51 116.60 1b7t h ILE 148 Ca 0.60 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1b7t h ILE 148 Cb 1.28 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 38.70 1b7t h ILE 148 CO -0.84 0.00 0.00 0.29 -1.08 0.00 0.00 178.15 176.52 1b7t n LYS 149 N -3.09 0.00 0.00 2.19 4.76 0.49 -5.08 118.16 117.44 1b7t n LYS 149 Ca 0.02 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.50 1b7t n LYS 149 Cb 0.39 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 33.82 1b7t n LYS 149 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44