#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1scm s PRO 13 N 0.00 4.33 0.34 1.47 0.04 -1.26 -4.69 135.00 135.23 1scm s PRO 13 Ca 0.00 2.17 0.06 0.00 0.04 0.00 0.00 61.00 63.27 1scm s PRO 13 Cb 0.00 -3.16 0.73 0.00 0.04 0.00 0.00 34.50 32.12 1scm s PRO 13 CO 0.00 -0.34 1.89 0.37 0.04 0.00 0.00 177.00 178.96 1scm h GLN 14 N 5.31 0.76 -0.88 4.56 4.15 -2.05 -1.63 115.11 125.33 1scm h GLN 14 Ca -0.45 -0.05 0.21 0.00 0.77 0.00 0.00 58.65 59.14 1scm h GLN 14 Cb 1.22 -0.17 -0.12 0.00 0.21 0.00 0.00 27.48 28.61 1scm h GLN 14 CO 0.78 0.50 0.38 1.57 -1.93 0.00 0.00 178.83 180.13 1scm h LYS 15 N 0.78 0.38 0.14 1.69 2.10 -1.98 0.60 116.57 120.29 1scm h LYS 15 Ca 0.42 -0.02 -0.28 0.00 -2.00 0.00 0.00 60.65 58.76 1scm h LYS 15 Cb 0.54 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1scm h LYS 15 CO -0.18 0.25 -1.40 0.37 -2.00 0.00 0.00 179.45 176.49 1scm h GLN 16 N 0.40 0.29 -1.04 0.07 4.15 -1.69 -2.91 115.11 114.37 1scm h GLN 16 Ca 0.54 -0.50 0.29 0.00 0.77 0.00 0.00 58.65 59.76 1scm h GLN 16 Cb 1.02 0.19 -0.12 0.00 0.21 0.00 0.00 27.48 28.77 1scm h GLN 16 CO -0.52 1.24 0.63 0.82 -1.93 0.00 0.00 178.83 179.07 1scm h ILE 17 N -0.22 0.42 0.00 2.39 5.03 -0.61 0.11 117.51 124.64 1scm h ILE 17 Ca -0.29 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 1scm h ILE 17 Cb 1.83 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 35.59 1scm h ILE 17 CO 0.10 0.07 0.00 -0.61 -0.68 0.00 0.00 178.15 177.04 1scm h GLN 18 N 0.41 0.00 0.01 2.37 5.75 -0.98 -3.01 115.11 119.66 1scm h GLN 18 Ca 0.68 0.00 -0.38 0.00 -0.15 0.00 0.00 58.65 58.79 1scm h GLN 18 Cb 1.56 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.06 1scm h GLN 18 CO -0.46 0.00 -2.13 -1.91 -2.65 0.00 0.00 178.83 171.67 1scm n GLU 19 N -2.95 0.60 0.00 1.69 2.13 0.22 -4.19 120.64 118.15 1scm n GLU 19 Ca 0.03 0.34 0.02 0.00 0.66 0.00 0.00 57.16 58.21 1scm n GLU 19 Cb 0.42 -1.58 0.10 0.00 0.27 0.00 0.00 31.44 30.65 1scm n GLU 19 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1scm n MET 20 N -4.15 0.00 -0.03 5.31 1.56 -0.31 -0.91 117.12 118.60 1scm n MET 20 Ca -0.46 0.43 -0.05 0.00 -0.27 0.00 0.00 57.70 57.35 1scm n MET 20 Cb 0.85 -1.51 -0.13 0.00 2.15 0.00 0.00 33.22 34.58 1scm n MET 20 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1scm n LYS 21 N -1.52 0.65 0.01 2.12 2.85 -1.14 -2.39 118.16 118.74 1scm n LYS 21 Ca 0.01 0.16 -0.13 0.00 -1.05 0.00 0.00 58.31 57.30 1scm n LYS 21 Cb 0.05 -1.70 -0.10 0.00 -0.65 0.00 0.00 35.03 32.63 1scm n LYS 21 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1scm h GLU 22 N 0.00 -0.08 -0.88 -1.58 4.81 -1.48 -2.84 114.58 112.53 1scm h GLU 22 Ca -0.31 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.98 1scm h GLU 22 Cb 1.90 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 31.24 1scm h GLU 22 CO 0.05 0.43 0.55 0.00 -0.73 0.00 0.00 179.01 179.32 1scm h ALA 23 N 0.19 1.20 -0.25 2.92 0.00 -1.17 0.14 119.26 122.31 1scm h ALA 23 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1scm h ALA 23 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1scm h ALA 23 CO 0.01 0.32 0.27 0.35 0.00 0.00 0.00 179.25 180.20 1scm h PHE 24 N 1.02 0.00 0.00 0.00 3.57 -1.45 -1.54 116.94 118.54 1scm h PHE 24 Ca 0.38 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1scm h PHE 24 Cb 0.15 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1scm h PHE 24 CO -0.03 0.00 -0.01 0.77 -2.23 0.00 0.00 178.31 176.81 1scm h SER 25 N 0.00 0.00 0.01 0.41 0.02 -0.45 -2.99 113.55 110.55 1scm h SER 25 Ca 0.12 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.67 1scm h SER 25 Cb 0.66 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 1scm h SER 25 CO -0.00 0.01 -2.43 0.23 -1.14 0.00 0.00 176.83 173.50 1scm n MET 26 N -3.10 0.64 -0.16 3.45 2.81 -0.61 -4.33 117.12 115.82 1scm n MET 26 Ca 0.02 0.20 -0.02 0.00 -1.81 0.00 0.00 57.70 56.09 1scm n MET 26 Cb 0.40 -1.53 0.07 0.00 -0.71 0.00 0.00 33.22 31.45 1scm n MET 26 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1scm h ILE 27 N -0.26 0.68 -2.91 2.02 2.04 -1.63 -3.29 117.51 114.15 1scm h ILE 27 Ca -0.59 -0.07 -0.57 0.00 1.00 0.00 0.00 64.86 64.63 1scm h ILE 27 Cb 1.83 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1scm h ILE 27 CO -0.16 0.04 0.94 -0.62 0.00 0.00 0.00 178.15 178.34 1scm s ASP 28 N -5.29 6.86 -0.26 1.72 -1.08 -1.13 -4.16 116.67 113.33 1scm s ASP 28 Ca -0.13 1.66 -0.10 0.00 -0.52 0.00 0.00 52.55 53.46 1scm s ASP 28 Cb 0.16 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.93 1scm s ASP 28 CO 0.73 -0.84 -0.21 0.52 0.52 0.00 0.00 175.17 175.89 1scm n VAL 29 N 5.54 1.54 1.78 1.11 0.31 -1.24 -4.72 118.33 122.65 1scm n VAL 29 Ca 0.14 -0.41 0.07 0.00 -0.01 0.00 0.00 64.34 64.13 1scm n VAL 29 Cb 0.45 -1.76 0.35 0.00 -0.91 0.00 0.00 33.84 31.96 1scm n VAL 29 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1scm n ASP 30 N -3.95 0.43 0.00 4.52 5.75 -1.26 -4.92 116.55 117.12 1scm n ASP 30 Ca -0.48 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1scm n ASP 30 Cb 0.90 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 1scm n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1scm n ARG 31 N -0.42 0.00 0.17 0.11 1.74 -1.26 -4.87 116.66 112.13 1scm n ARG 31 Ca 0.11 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.26 1scm n ARG 31 Cb 0.11 -4.08 0.38 0.00 -1.02 0.00 0.00 32.46 27.86 1scm n ARG 31 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1scm h ASP 32 N 0.00 0.00 0.00 0.55 3.04 -1.98 -3.44 116.42 114.59 1scm h ASP 32 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1scm h ASP 32 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1scm h ASP 32 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1scm n GLY 33 N -1.27 0.79 3.27 7.15 0.00 -1.26 -5.06 105.19 108.81 1scm n GLY 33 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1scm n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1scm s PHE 34 N -2.49 2.66 -0.27 1.61 0.40 -1.26 -4.00 117.98 114.63 1scm s PHE 34 Ca 0.00 -0.92 -0.29 0.00 -0.60 0.00 0.00 56.93 55.12 1scm s PHE 34 Cb 0.00 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1scm s PHE 34 CO 0.00 -0.36 1.62 0.08 0.70 0.00 0.00 175.22 177.26 1scm s VAL 35 N 0.38 3.69 0.21 -0.44 1.01 -0.02 -4.93 120.40 120.30 1scm s VAL 35 Ca -0.15 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1scm s VAL 35 Cb -0.17 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1scm s VAL 35 CO 0.07 -0.39 0.36 -0.44 0.00 0.00 0.00 175.10 174.71 1scm s SER 36 N 4.57 6.34 0.32 3.32 0.01 -1.26 -4.18 113.70 122.82 1scm s SER 36 Ca 0.71 0.23 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1scm s SER 36 Cb -0.23 -1.93 0.53 0.00 0.21 0.00 0.00 66.02 64.60 1scm s SER 36 CO 0.30 -0.05 1.96 0.50 0.41 0.00 0.00 173.24 176.37 1scm h LYS 37 N 1.67 0.99 0.00 12.44 3.64 -1.94 -2.51 116.57 130.87 1scm h LYS 37 Ca -0.49 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1scm h LYS 37 Cb 1.21 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1scm h LYS 37 CO 0.65 0.65 0.00 0.93 -2.27 0.00 0.00 179.45 179.42 1scm h GLU 38 N 1.02 0.00 0.15 1.90 3.07 -1.99 -2.20 114.58 116.53 1scm h GLU 38 Ca 0.31 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.85 1scm h GLU 38 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1scm h GLU 38 CO -0.09 0.00 -1.55 -0.44 -1.40 0.00 0.00 179.01 175.54 1scm h ASP 39 N 0.00 0.50 -0.53 1.42 5.19 -1.74 -2.12 116.42 119.14 1scm h ASP 39 Ca 0.00 -0.66 -0.03 0.00 -0.62 0.00 0.00 57.03 55.72 1scm h ASP 39 Cb 0.29 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 1scm h ASP 39 CO 0.00 1.55 0.21 0.40 -3.12 0.00 0.00 179.24 178.28 1scm h ILE 40 N 0.09 1.22 0.07 0.35 2.04 -1.38 0.83 117.51 120.72 1scm h ILE 40 Ca -0.26 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1scm h ILE 40 Cb 2.05 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1scm h ILE 40 CO 0.18 0.26 -0.04 0.50 0.00 0.00 0.00 178.15 179.06 1scm h LYS 41 N 0.72 -0.10 -0.75 2.37 3.64 -1.52 -0.46 116.57 120.48 1scm h LYS 41 Ca 0.18 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1scm h LYS 41 Cb 0.20 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1scm h LYS 41 CO -0.01 0.12 0.49 0.00 -2.27 0.00 0.00 179.45 177.77 1scm h ALA 42 N 0.61 1.62 0.16 5.00 0.00 -1.15 0.70 119.26 126.20 1scm h ALA 42 Ca -0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1scm h ALA 42 Cb 0.25 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1scm h ALA 42 CO 0.02 0.29 -1.45 0.97 0.00 0.00 0.00 179.25 179.07 1scm h ILE 43 N 0.85 1.27 -0.27 0.00 6.09 -0.67 -2.76 117.51 122.02 1scm h ILE 43 Ca 0.31 -2.84 -0.04 0.00 -1.37 0.00 0.00 64.86 60.92 1scm h ILE 43 Cb 0.15 2.88 -0.02 0.00 0.47 0.00 0.00 36.82 40.31 1scm h ILE 43 CO -0.10 0.85 0.00 0.28 -3.07 0.00 0.00 178.15 176.11 1scm h SER 44 N 0.09 0.38 -0.44 2.19 0.02 -0.15 0.91 113.55 116.54 1scm h SER 44 Ca -0.22 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 1scm h SER 44 Cb 2.04 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.47 1scm h SER 44 CO 0.20 0.44 -0.13 -0.08 -1.14 0.00 0.00 176.83 176.12 1scm h GLU 45 N 0.40 0.87 0.00 3.45 4.57 -0.97 -1.53 114.58 121.37 1scm h GLU 45 Ca 0.09 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1scm h GLU 45 Cb 0.26 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1scm h GLU 45 CO 0.01 0.98 0.00 0.94 -1.18 0.00 0.00 179.01 179.76 1scm n GLN 46 N -4.25 0.15 -0.05 1.92 7.27 0.12 -3.83 117.38 118.72 1scm n GLN 46 Ca -0.00 0.12 -0.11 0.00 0.07 0.00 0.00 57.00 57.08 1scm n GLN 46 Cb 0.39 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.51 1scm n GLN 46 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1scm n LEU 47 N -1.39 1.07 0.00 1.69 4.32 -0.10 -5.05 117.00 117.53 1scm n LEU 47 Ca 0.07 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 1scm n LEU 47 Cb 0.20 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1scm n LEU 47 CO 0.17 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 1scm n GLY 48 N 2.33 3.30 3.68 -0.72 0.00 -0.59 -5.10 105.19 108.09 1scm n GLY 48 Ca -0.19 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1scm n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1scm s ARG 49 N 3.72 4.28 0.58 1.61 3.52 -1.26 -4.05 118.95 127.36 1scm s ARG 49 Ca 0.00 1.80 -0.18 0.00 -0.13 0.00 0.00 55.73 57.22 1scm s ARG 49 Cb 0.00 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1scm s ARG 49 CO 0.00 -0.60 1.11 0.00 -0.81 0.00 0.00 175.30 175.00 1scm s ALA 50 N 2.83 2.63 1.16 6.12 0.00 -1.25 -4.90 121.76 128.35 1scm s ALA 50 Ca 0.59 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 1scm s ALA 50 Cb -0.26 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 19.67 1scm s ALA 50 CO 0.22 -0.92 0.36 -0.35 0.00 0.00 0.00 175.76 175.06 1scm n PRO 51 N -1.73 -2.70 0.00 0.00 -0.04 -1.26 -5.06 135.00 124.20 1scm n PRO 51 Ca 0.11 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1scm n PRO 51 Cb 0.52 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1scm n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1scm n ASP 52 N -3.97 0.00 0.11 3.54 5.68 -1.26 -4.91 116.55 115.74 1scm n ASP 52 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1scm n ASP 52 Cb 0.23 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1scm n ASP 52 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1scm n ASP 53 N -0.56 -1.36 -0.16 -1.12 2.03 -1.26 -4.60 116.55 109.52 1scm n ASP 53 Ca 0.00 0.42 0.07 0.00 0.52 0.00 0.00 54.79 55.81 1scm n ASP 53 Cb 0.00 1.43 0.14 0.00 -0.72 0.00 0.00 41.12 41.98 1scm n ASP 53 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1scm n LYS 54 N -3.07 -0.04 -0.08 -0.67 4.81 -1.26 -0.60 118.16 117.25 1scm n LYS 54 Ca 0.00 0.67 -0.15 0.00 -0.87 0.00 0.00 58.31 57.96 1scm n LYS 54 Cb 0.00 -1.08 -0.09 0.00 0.02 0.00 0.00 35.03 33.88 1scm n LYS 54 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1scm h GLU 55 N 0.00 0.00 -0.36 1.64 4.39 -1.95 -3.29 114.58 115.01 1scm h GLU 55 Ca 0.28 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 1scm h GLU 55 Cb 0.60 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1scm h GLU 55 CO -0.42 0.76 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.95 1scm h LEU 56 N -1.00 0.66 -0.11 1.33 3.38 -1.40 1.00 115.31 119.16 1scm h LEU 56 Ca -0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1scm h LEU 56 Cb 0.98 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1scm h LEU 56 CO -0.10 0.83 0.03 0.71 0.09 0.00 0.00 178.44 180.00 1scm h THR 57 N 0.59 1.18 -0.16 0.22 1.35 -1.07 -3.03 112.91 112.00 1scm h THR 57 Ca 0.10 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 1scm h THR 57 Cb 0.62 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1scm h THR 57 CO 0.04 0.16 0.04 0.00 -0.25 0.00 0.00 175.52 175.52 1scm h ALA 58 N 0.84 1.78 -0.04 6.62 0.00 -1.41 -2.51 119.26 124.54 1scm h ALA 58 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1scm h ALA 58 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1scm h ALA 58 CO -0.00 0.18 0.02 0.52 0.00 0.00 0.00 179.25 179.97 1scm h MET 59 N 0.22 0.05 -0.00 0.00 2.07 -0.71 -2.88 114.93 113.68 1scm h MET 59 Ca 0.06 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1scm h MET 59 Cb 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 1scm h MET 59 CO -0.00 0.05 -0.03 1.28 1.07 0.00 0.00 176.91 179.28 1scm n LEU 60 N -5.05 0.44 -1.26 1.22 4.32 -1.01 -2.23 117.00 113.42 1scm n LEU 60 Ca -0.06 -0.08 0.04 0.00 -0.02 0.00 0.00 56.01 55.89 1scm n LEU 60 Cb 0.04 -0.07 0.23 0.00 -1.62 0.00 0.00 43.42 41.99 1scm n LEU 60 CO 0.33 0.08 0.61 1.17 -1.22 0.00 0.00 177.39 178.35 1scm n LYS 61 N -0.77 3.15 0.00 3.23 4.81 -0.98 -3.14 118.16 124.46 1scm n LYS 61 Ca 0.20 -1.77 0.09 0.00 -0.87 0.00 0.00 58.31 55.95 1scm n LYS 61 Cb 0.22 -1.91 0.02 0.00 0.02 0.00 0.00 35.03 33.38 1scm n LYS 61 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1scm n GLU 62 N 0.37 1.58 -3.78 1.64 1.02 -0.95 -4.82 120.64 115.70 1scm n GLU 62 Ca 0.16 -1.07 -0.30 0.00 -0.02 0.00 0.00 57.16 55.93 1scm n GLU 62 Cb 0.77 -1.33 -0.15 0.00 -0.02 0.00 0.00 31.44 30.70 1scm n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1scm s ALA 63 N -1.89 1.61 0.52 0.62 0.00 -1.19 -5.00 121.76 116.43 1scm s ALA 63 Ca 0.17 -1.54 -0.22 0.00 0.00 0.00 0.00 51.96 50.37 1scm s ALA 63 Cb 0.14 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 1scm s ALA 63 CO 0.38 -1.53 1.29 -1.25 0.00 0.00 0.00 175.76 174.66 1scm s PRO 64 N 1.57 3.35 0.09 0.00 0.04 -1.26 -4.80 135.00 133.99 1scm s PRO 64 Ca 0.06 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1scm s PRO 64 Cb -0.18 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1scm s PRO 64 CO -0.19 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1scm n GLY 65 N 0.63 -2.07 3.74 0.56 0.00 -1.26 -4.89 105.19 101.89 1scm n GLY 65 Ca 0.09 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1scm n GLY 65 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1scm s PRO 66 N -2.23 4.25 -1.20 1.61 0.02 -1.26 -4.82 135.00 131.38 1scm s PRO 66 Ca 0.00 2.31 -0.22 0.00 0.02 0.00 0.00 61.00 63.11 1scm s PRO 66 Cb 0.00 -3.13 -0.06 0.00 0.02 0.00 0.00 34.50 31.33 1scm s PRO 66 CO 0.00 -0.48 1.90 -0.51 -0.33 0.00 0.00 177.00 177.58 1scm s LEU 67 N 0.13 3.17 0.77 -5.54 1.43 -1.26 -4.82 118.68 112.56 1scm s LEU 67 Ca 0.63 -1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 51.85 1scm s LEU 67 Cb -0.42 -2.59 0.05 0.00 0.03 0.00 0.00 46.19 43.26 1scm s LEU 67 CO 0.39 -2.78 1.08 0.21 0.23 0.00 0.00 176.35 175.48 1scm s ASN 68 N 6.18 4.69 0.33 2.29 3.04 -1.26 -0.84 114.94 129.36 1scm s ASN 68 Ca 0.66 1.50 0.08 0.00 0.04 0.00 0.00 52.86 55.13 1scm s ASN 68 Cb -0.00 -2.27 0.78 0.00 -1.54 0.00 0.00 41.25 38.22 1scm s ASN 68 CO 0.12 -1.87 1.82 0.15 -3.04 0.00 0.00 177.10 174.28 1scm h PHE 69 N -1.02 0.94 0.00 0.43 3.57 -1.92 -1.72 116.94 117.22 1scm h PHE 69 Ca -0.46 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 1scm h PHE 69 Cb 1.25 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1scm h PHE 69 CO 0.53 0.28 -0.38 1.79 -2.23 0.00 0.00 178.31 178.30 1scm h THR 70 N 0.73 1.01 0.00 4.41 1.35 -1.95 -1.34 112.91 117.12 1scm h THR 70 Ca 0.51 -1.42 -0.18 0.00 -0.55 0.00 0.00 66.41 64.77 1scm h THR 70 Cb 0.83 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 1scm h THR 70 CO -0.28 0.37 -0.86 -0.03 -0.25 0.00 0.00 175.52 174.46 1scm h MET 71 N 0.00 0.04 0.25 4.72 1.85 -1.72 -2.49 114.93 117.59 1scm h MET 71 Ca -0.00 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 1scm h MET 71 Cb 0.80 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.84 1scm h MET 71 CO 0.05 0.88 -0.17 0.35 -0.40 0.00 0.00 176.91 177.61 1scm h PHE 72 N 0.02 -0.45 -0.37 1.39 3.04 -0.39 -2.46 116.94 117.73 1scm h PHE 72 Ca -0.02 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.00 1scm h PHE 72 Cb 1.51 0.17 -0.06 0.00 2.56 0.00 0.00 35.95 40.13 1scm h PHE 72 CO 0.01 -0.27 -0.01 1.25 -2.02 0.00 0.00 178.31 177.26 1scm h LEU 73 N -0.42 -0.18 0.03 0.59 7.12 -1.30 -2.82 115.31 118.32 1scm h LEU 73 Ca -0.02 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1scm h LEU 73 Cb 0.36 0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 1scm h LEU 73 CO 0.01 -0.05 -0.17 -1.28 -0.13 0.00 0.00 178.44 176.81 1scm h SER 74 N 0.08 -0.52 -0.86 1.25 0.87 -1.11 -2.02 113.55 111.23 1scm h SER 74 Ca 0.18 0.06 0.18 0.00 -1.23 0.00 0.00 61.79 60.97 1scm h SER 74 Cb 0.25 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 1scm h SER 74 CO -0.31 -0.18 0.57 0.16 -0.53 0.00 0.00 176.83 176.54 1scm h ILE 75 N -0.24 0.73 0.00 2.23 3.07 -1.41 0.17 117.51 122.06 1scm h ILE 75 Ca -0.00 -0.15 -0.08 0.00 1.55 0.00 0.00 64.86 66.18 1scm h ILE 75 Cb 0.24 0.24 -0.01 0.00 -0.27 0.00 0.00 36.82 37.03 1scm h ILE 75 CO -0.10 0.08 -0.37 -0.26 -1.05 0.00 0.00 178.15 176.45 1scm h PHE 76 N 0.45 0.00 0.00 0.16 -1.00 -1.13 -3.03 116.94 112.39 1scm h PHE 76 Ca 0.44 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.22 1scm h PHE 76 Cb 1.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1scm h PHE 76 CO -0.00 0.37 -1.12 -1.13 -1.61 0.00 0.00 178.31 174.82 1scm n SER 77 N -3.70 0.86 -3.23 2.17 3.41 0.26 -2.95 113.62 110.44 1scm n SER 77 Ca -0.01 -0.85 -0.40 0.00 -0.26 0.00 0.00 58.87 57.35 1scm n SER 77 Cb 0.46 1.14 0.02 0.00 -0.26 0.00 0.00 64.21 65.57 1scm n SER 77 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1scm n ASP 78 N -1.59 7.43 0.00 4.04 8.00 0.33 -3.17 116.55 131.59 1scm n ASP 78 Ca 0.03 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.84 1scm n ASP 78 Cb 0.36 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 1scm n ASP 78 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1scm n LYS 79 N -0.10 0.00 0.02 -1.24 3.00 -1.25 -4.90 118.16 113.69 1scm n LYS 79 Ca 0.51 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.94 1scm n LYS 79 Cb 0.27 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.53 1scm n LYS 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1scm n LEU 80 N -0.64 0.54 -4.14 3.14 4.77 -1.15 -4.68 117.00 114.83 1scm n LEU 80 Ca 0.00 0.10 -0.37 0.00 -0.03 0.00 0.00 56.01 55.71 1scm n LEU 80 Cb 0.00 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 1scm n LEU 80 CO 0.00 0.06 -0.12 -0.44 -1.33 0.00 0.00 177.39 175.56 1scm s SER 81 N -3.45 5.38 0.00 -1.43 0.01 -1.19 -4.35 113.70 108.67 1scm s SER 81 Ca 0.09 -2.04 0.00 0.00 1.31 0.00 0.00 55.95 55.31 1scm s SER 81 Cb 0.16 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1scm s SER 81 CO 0.70 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1scm n GLY 82 N 4.62 -2.02 0.00 3.44 0.00 -1.26 -4.83 105.19 105.14 1scm n GLY 82 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1scm n GLY 82 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1scm n THR 83 N -0.43 0.00 -2.71 2.61 -2.24 -1.26 -4.91 114.28 105.33 1scm n THR 83 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1scm n THR 83 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1scm n THR 83 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1scm s ASP 84 N 0.00 6.92 1.02 3.42 1.11 -1.26 -5.00 116.67 122.88 1scm s ASP 84 Ca 0.00 1.84 -0.12 0.00 0.18 0.00 0.00 52.55 54.45 1scm s ASP 84 Cb 0.00 -2.56 0.20 0.00 1.07 0.00 0.00 42.92 41.63 1scm s ASP 84 CO 0.00 -0.37 1.08 -0.94 1.18 0.00 0.00 175.17 176.11 1scm s SER 85 N -1.86 2.30 0.00 0.27 1.04 -1.26 -4.70 113.70 109.50 1scm s SER 85 Ca 0.59 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.48 1scm s SER 85 Cb -0.16 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1scm s SER 85 CO 0.20 -3.37 0.59 -1.84 0.98 0.00 0.00 173.24 169.80 1scm n GLU 86 N -4.36 0.00 0.29 4.02 -0.00 -1.26 -2.03 120.64 117.30 1scm n GLU 86 Ca 0.05 0.59 0.18 0.00 -0.00 0.00 0.00 57.16 57.98 1scm n GLU 86 Cb 0.55 -1.02 0.97 0.00 -0.00 0.00 0.00 31.44 31.94 1scm n GLU 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1scm h GLU 87 N 0.00 0.00 -0.10 3.44 4.11 -2.00 -2.19 114.58 117.83 1scm h GLU 87 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1scm h GLU 87 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1scm h GLU 87 CO 0.00 0.00 -0.36 1.15 0.07 0.00 0.00 179.01 179.87 1scm h THR 88 N 0.00 1.39 0.00 -1.06 2.02 -1.76 -2.79 112.91 110.71 1scm h THR 88 Ca 0.02 -1.69 -0.10 0.00 0.77 0.00 0.00 66.41 65.41 1scm h THR 88 Cb 0.16 2.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 1scm h THR 88 CO -0.00 0.50 -0.11 -0.38 0.37 0.00 0.00 175.52 175.90 1scm n ILE 89 N -4.37 1.99 0.00 3.11 5.41 -0.82 -1.58 119.36 123.10 1scm n ILE 89 Ca -0.08 -0.89 0.00 0.00 1.00 0.00 0.00 62.75 62.78 1scm n ILE 89 Cb 0.51 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1scm n ILE 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1scm n ARG 90 N 2.34 0.00 0.08 0.38 0.63 -1.25 -4.67 116.66 114.18 1scm n ARG 90 Ca 0.22 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.15 1scm n ARG 90 Cb 0.59 0.00 0.28 0.00 0.45 0.00 0.00 32.46 33.77 1scm n ARG 90 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1scm h ASN 91 N 0.00 0.30 0.53 6.15 -0.26 -1.42 -0.65 115.58 120.22 1scm h ASN 91 Ca 0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1scm h ASN 91 Cb 0.00 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 1scm h ASN 91 CO 0.00 0.57 0.00 0.00 -1.06 0.00 0.00 177.43 176.94 1scm n ALA 92 N -2.48 2.18 -0.05 -0.83 0.00 -0.61 -2.99 120.51 115.72 1scm n ALA 92 Ca -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 1scm n ALA 92 Cb 0.38 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 1scm n ALA 92 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1scm n PHE 93 N -1.33 0.00 0.31 0.00 3.72 -1.07 -4.50 117.46 114.58 1scm n PHE 93 Ca 0.10 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.70 1scm n PHE 93 Cb 0.21 -0.52 1.00 0.00 -0.94 0.00 0.00 39.48 39.23 1scm n PHE 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1scm h ALA 94 N 0.46 1.00 -0.17 4.37 0.00 -1.04 -1.95 119.26 121.94 1scm h ALA 94 Ca -0.29 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1scm h ALA 94 Cb 1.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1scm h ALA 94 CO 0.01 0.00 0.15 0.52 0.00 0.00 0.00 179.25 179.93 1scm h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.76 -0.82 114.93 115.21 1scm h MET 95 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1scm h MET 95 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1scm h MET 95 CO 0.00 0.00 -1.45 1.19 1.06 0.00 0.00 176.91 177.71 1scm n PHE 96 N -4.08 0.00 -3.53 -0.22 3.72 -0.74 -4.63 117.46 107.97 1scm n PHE 96 Ca 0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.02 1scm n PHE 96 Cb 0.27 -0.23 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 1scm n PHE 96 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1scm s ASP 97 N -3.68 6.47 0.32 4.37 2.15 -0.31 -4.95 116.67 121.04 1scm s ASP 97 Ca 0.01 -3.68 0.09 0.00 0.43 0.00 0.00 52.55 49.40 1scm s ASP 97 Cb 0.15 -2.02 0.53 0.00 -0.30 0.00 0.00 42.92 41.28 1scm s ASP 97 CO 0.88 -0.22 1.73 -0.33 -0.17 0.00 0.00 175.17 177.06 1scm h GLU 98 N 6.24 0.12 -0.31 4.34 4.39 -1.82 -3.05 114.58 124.48 1scm h GLU 98 Ca 0.17 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1scm h GLU 98 Cb 0.83 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1scm h GLU 98 CO 0.91 0.53 0.00 0.94 -1.16 0.00 0.00 179.01 180.24 1scm n GLN 99 N -4.01 1.80 -2.15 2.33 -0.06 -1.26 -4.94 117.38 109.08 1scm n GLN 99 Ca -0.02 -1.24 -0.20 0.00 -2.00 0.00 0.00 57.00 53.55 1scm n GLN 99 Cb 0.48 -1.31 -0.03 0.00 -4.06 0.00 0.00 30.24 25.31 1scm n GLN 99 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1scm n GLU 100 N 0.49 -1.67 -2.47 3.69 1.02 -1.16 -4.97 120.64 115.58 1scm n GLU 100 Ca 0.13 1.01 -0.43 0.00 -0.02 0.00 0.00 57.16 57.85 1scm n GLU 100 Cb 0.31 -5.58 -0.02 0.00 -0.02 0.00 0.00 31.44 26.13 1scm n GLU 100 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1scm s THR 101 N -2.88 4.03 -1.43 2.62 -4.23 -1.26 -4.88 115.64 107.62 1scm s THR 101 Ca 0.00 1.03 -0.13 0.00 -1.18 0.00 0.00 61.69 61.41 1scm s THR 101 Cb 0.00 -4.42 -0.02 0.00 1.34 0.00 0.00 72.50 69.40 1scm s THR 101 CO 0.00 -0.93 2.41 0.29 -0.54 0.00 0.00 174.62 175.85 1scm n LYS 102 N 8.04 2.94 -3.65 3.99 5.02 -1.26 -4.62 118.16 128.63 1scm n LYS 102 Ca 0.14 -2.37 -0.08 0.00 -2.02 0.00 0.00 58.31 53.97 1scm n LYS 102 Cb 0.49 -3.08 -0.02 0.00 -0.02 0.00 0.00 35.03 32.39 1scm n LYS 102 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1scm s LYS 103 N 3.07 1.39 -0.06 1.97 1.02 -1.26 -4.13 119.74 121.74 1scm s LYS 103 Ca 0.54 -0.67 -0.05 0.00 0.02 0.00 0.00 55.97 55.81 1scm s LYS 103 Cb 0.15 0.54 0.02 0.00 -0.52 0.00 0.00 37.83 38.02 1scm s LYS 103 CO -0.06 -0.63 0.16 -1.17 -0.92 0.00 0.00 175.35 172.73 1scm s LEU 104 N -2.81 1.30 0.23 3.17 2.96 -0.10 -4.88 118.68 118.56 1scm s LEU 104 Ca 0.07 0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 54.00 1scm s LEU 104 Cb -0.03 0.54 -0.11 0.00 0.50 0.00 0.00 46.19 47.09 1scm s LEU 104 CO -0.03 -0.07 1.58 0.21 -1.32 0.00 0.00 176.35 176.72 1scm s ASN 105 N 0.22 6.49 0.38 3.68 3.04 -1.26 -0.36 114.94 127.13 1scm s ASN 105 Ca -0.01 2.79 0.11 0.00 0.04 0.00 0.00 52.86 55.79 1scm s ASN 105 Cb -0.02 -2.61 0.89 0.00 -1.54 0.00 0.00 41.25 37.96 1scm s ASN 105 CO -0.01 -0.86 1.90 -0.29 -3.04 0.00 0.00 177.10 174.81 1scm h ILE 106 N 3.66 0.85 -0.00 -5.21 6.09 -1.46 -0.53 117.51 120.92 1scm h ILE 106 Ca -0.45 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.84 1scm h ILE 106 Cb 1.21 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.70 1scm h ILE 106 CO 0.85 0.11 -0.28 -1.84 -3.07 0.00 0.00 178.15 173.92 1scm n GLU 107 N -4.52 0.07 0.14 2.19 -0.00 -1.26 -1.86 120.64 115.39 1scm n GLU 107 Ca 0.15 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.16 57.22 1scm n GLU 107 Cb 0.45 -1.50 -0.03 0.00 -0.00 0.00 0.00 31.44 30.36 1scm n GLU 107 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1scm h TYR 108 N 0.07 -0.40 -0.19 -1.84 3.20 -1.48 -1.85 116.97 114.48 1scm h TYR 108 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1scm h TYR 108 Cb 0.49 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1scm h TYR 108 CO 0.00 -0.25 0.13 0.97 -1.64 0.00 0.00 178.16 177.37 1scm h ILE 109 N -1.10 1.04 -0.33 1.81 6.09 -1.39 -0.25 117.51 123.38 1scm h ILE 109 Ca -0.04 -0.08 -0.17 0.00 -1.37 0.00 0.00 64.86 63.19 1scm h ILE 109 Cb 0.33 0.78 -0.00 0.00 0.47 0.00 0.00 36.82 38.39 1scm h ILE 109 CO 0.07 0.04 -0.45 0.11 -3.07 0.00 0.00 178.15 174.86 1scm h LYS 110 N 0.24 0.89 -0.62 2.19 1.57 -1.44 -1.28 116.57 118.13 1scm h LYS 110 Ca 0.07 -0.51 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1scm h LYS 110 Cb -0.01 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1scm h LYS 110 CO -0.01 1.16 0.24 0.22 -0.57 0.00 0.00 179.45 180.48 1scm h ASP 111 N 0.69 0.84 0.78 0.86 3.58 -0.21 0.16 116.42 123.12 1scm h ASP 111 Ca 0.04 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 1scm h ASP 111 Cb 1.05 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.89 1scm h ASP 111 CO 0.11 0.76 -0.38 -0.07 -2.88 0.00 0.00 179.24 176.78 1scm h LEU 112 N 0.90 -0.89 -0.77 2.28 3.38 -0.99 -2.17 115.31 117.05 1scm h LEU 112 Ca 0.21 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1scm h LEU 112 Cb 0.19 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1scm h LEU 112 CO -0.02 -0.53 0.20 -0.07 0.09 0.00 0.00 178.44 178.12 1scm h LEU 113 N -1.26 1.07 0.09 1.67 3.38 -1.18 -0.99 115.31 118.09 1scm h LEU 113 Ca -0.11 -0.21 -0.29 0.00 0.09 0.00 0.00 57.88 57.36 1scm h LEU 113 Cb 0.81 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.31 1scm h LEU 113 CO 0.18 1.00 -1.23 -0.08 0.09 0.00 0.00 178.44 178.40 1scm h GLU 114 N 1.08 0.55 0.00 1.13 4.81 -1.03 -0.47 114.58 120.64 1scm h GLU 114 Ca 0.23 -0.75 -0.13 0.00 -0.13 0.00 0.00 59.36 58.58 1scm h GLU 114 Cb 0.33 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1scm h GLU 114 CO -0.00 1.33 -1.56 0.09 -0.73 0.00 0.00 179.01 178.14 1scm n ASN 115 N -3.74 2.90 -4.83 1.04 5.03 -0.82 -3.59 115.26 111.25 1scm n ASN 115 Ca -0.12 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.11 1scm n ASN 115 Cb 0.98 0.82 -0.04 0.00 -1.02 0.00 0.00 39.78 40.52 1scm n ASN 115 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1scm s MET 116 N -2.27 2.58 4.62 3.52 0.23 -0.38 -4.77 119.30 122.83 1scm s MET 116 Ca -0.04 -1.44 0.00 0.00 -1.03 0.00 0.00 55.69 53.18 1scm s MET 116 Cb 0.03 -2.37 0.00 0.00 -1.53 0.00 0.00 34.83 30.96 1scm s MET 116 CO 0.35 0.01 0.00 0.41 -2.03 0.00 0.00 175.02 173.76 1scm n GLY 117 N -1.37 1.63 3.33 3.16 0.00 -1.26 -3.35 105.19 107.33 1scm n GLY 117 Ca -0.01 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1scm n GLY 117 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1scm n ASP 118 N -1.51 4.76 -3.45 1.61 8.00 -1.26 -4.92 116.55 119.77 1scm n ASP 118 Ca 0.00 -2.92 -0.37 0.00 0.71 0.00 0.00 54.79 52.20 1scm n ASP 118 Cb 0.00 -1.69 -0.02 0.00 -0.02 0.00 0.00 41.12 39.39 1scm n ASP 118 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1scm n ASN 119 N 7.18 -1.16 -4.82 -2.24 4.13 -1.21 -4.97 115.26 112.17 1scm n ASN 119 Ca 0.47 0.86 -0.34 0.00 1.68 0.00 0.00 54.58 57.25 1scm n ASN 119 Cb 0.43 -0.74 -0.07 0.00 -1.54 0.00 0.00 39.78 37.87 1scm n ASN 119 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1scm s PHE 120 N -0.86 3.44 0.31 3.10 0.40 -0.19 -5.01 117.98 119.17 1scm s PHE 120 Ca 0.50 1.52 0.04 0.00 -0.60 0.00 0.00 56.93 58.38 1scm s PHE 120 Cb -0.70 -2.76 -0.02 0.00 0.51 0.00 0.00 43.02 40.05 1scm s PHE 120 CO 0.45 0.05 0.46 0.54 0.70 0.00 0.00 175.22 177.42 1scm s ASN 121 N -2.04 6.17 0.56 1.36 2.20 -1.26 -4.68 114.94 117.26 1scm s ASN 121 Ca 0.56 0.11 0.31 0.00 -0.94 0.00 0.00 52.86 52.89 1scm s ASN 121 Cb -0.12 -1.70 1.46 0.00 -2.00 0.00 0.00 41.25 38.89 1scm s ASN 121 CO 0.17 -0.28 1.86 0.11 -2.94 0.00 0.00 177.10 176.02 1scm h LYS 122 N 0.92 0.00 0.00 3.55 1.57 -1.98 0.66 116.57 121.30 1scm h LYS 122 Ca -0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1scm h LYS 122 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1scm h LYS 122 CO 0.59 0.00 -0.00 0.22 -0.57 0.00 0.00 179.45 179.68 1scm h ASP 123 N 0.00 -0.00 -0.96 0.86 3.58 -1.98 0.34 116.42 118.26 1scm h ASP 123 Ca 0.36 -0.85 0.16 0.00 0.42 0.00 0.00 57.03 57.12 1scm h ASP 123 Cb 1.61 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.57 1scm h ASP 123 CO -0.00 0.91 0.61 -0.33 -2.88 0.00 0.00 179.24 177.54 1scm h GLU 124 N -0.98 0.74 0.66 0.28 5.08 -1.59 0.65 114.58 119.43 1scm h GLU 124 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1scm h GLU 124 Cb 0.85 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1scm h GLU 124 CO 0.00 0.49 -0.36 1.98 -1.00 0.00 0.00 179.01 180.12 1scm h MET 125 N 0.76 -0.92 -0.71 2.33 4.05 -0.97 0.19 114.93 119.67 1scm h MET 125 Ca 0.50 0.06 0.06 0.00 -0.28 0.00 0.00 59.70 60.05 1scm h MET 125 Cb 0.77 0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.73 1scm h MET 125 CO -0.27 -0.61 0.47 -0.09 0.23 0.00 0.00 176.91 176.64 1scm h ARG 126 N -0.95 0.72 0.07 0.39 2.43 0.44 -1.89 114.38 115.58 1scm h ARG 126 Ca -0.09 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.79 1scm h ARG 126 Cb 0.75 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1scm h ARG 126 CO 0.12 0.47 -1.10 0.52 -1.51 0.00 0.00 179.97 178.47 1scm h MET 127 N 0.74 0.36 -0.27 0.20 2.86 -0.69 -2.39 114.93 115.74 1scm h MET 127 Ca 0.31 -0.48 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1scm h MET 127 Cb 0.26 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1scm h MET 127 CO -0.10 1.17 -0.13 1.15 1.06 0.00 0.00 176.91 180.06 1scm h THR 128 N 0.16 1.23 -0.38 2.22 2.02 0.14 -3.05 112.91 115.25 1scm h THR 128 Ca -0.11 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1scm h THR 128 Cb 1.78 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1scm h THR 128 CO 0.19 0.32 0.00 0.49 0.37 0.00 0.00 175.52 176.89 1scm n PHE 129 N -4.21 0.50 -0.12 3.16 3.01 -0.87 -4.18 117.46 114.76 1scm n PHE 129 Ca 0.00 -0.42 -0.05 0.00 1.01 0.00 0.00 57.45 58.00 1scm n PHE 129 Cb 0.32 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 39.80 1scm n PHE 129 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1scm h LYS 130 N 2.66 0.26 -0.36 -1.08 1.63 -1.31 -3.25 116.57 115.11 1scm h LYS 130 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1scm h LYS 130 Cb 0.77 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1scm h LYS 130 CO 0.00 0.17 0.00 0.39 -3.45 0.00 0.00 179.45 176.56 1scm n GLU 131 N -5.04 2.82 -2.26 1.90 4.71 -1.26 -5.07 120.64 116.43 1scm n GLU 131 Ca 0.02 -2.06 -0.36 0.00 -0.01 0.00 0.00 57.16 54.75 1scm n GLU 131 Cb 0.16 -1.28 -0.00 0.00 -1.01 0.00 0.00 31.44 29.31 1scm n GLU 131 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1scm s ALA 132 N -1.00 2.82 -0.26 0.62 0.00 -1.23 -4.97 121.76 117.74 1scm s ALA 132 Ca 0.24 0.87 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 1scm s ALA 132 Cb 0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1scm s ALA 132 CO 0.17 -0.71 2.05 -2.14 0.00 0.00 0.00 175.76 175.13 1scm s PRO 133 N -3.02 3.21 -0.03 0.00 0.02 -1.26 -5.00 135.00 128.92 1scm s PRO 133 Ca 0.69 1.80 0.02 0.00 0.02 0.00 0.00 61.00 63.52 1scm s PRO 133 Cb -0.26 -4.30 0.01 0.00 0.02 0.00 0.00 34.50 29.97 1scm s PRO 133 CO 0.30 -2.00 -0.07 0.08 -0.33 0.00 0.00 177.00 174.98 1scm s VAL 134 N 7.74 0.65 -0.29 3.83 1.01 -1.26 -2.16 120.40 129.92 1scm s VAL 134 Ca 0.92 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 1scm s VAL 134 Cb -0.29 -0.61 0.11 0.00 0.00 0.00 0.00 36.38 35.60 1scm s VAL 134 CO 0.35 0.22 0.67 -0.70 0.00 0.00 0.00 175.10 175.64 1scm s GLU 135 N 0.39 0.62 0.00 2.72 2.12 0.27 -4.90 118.70 119.92 1scm s GLU 135 Ca -0.06 1.37 0.00 0.00 0.36 0.00 0.00 54.97 56.64 1scm s GLU 135 Cb -0.10 0.61 0.00 0.00 0.26 0.00 0.00 34.13 34.90 1scm s GLU 135 CO 0.00 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1scm n GLY 136 N 5.04 0.45 2.40 -1.50 0.00 -1.26 -2.88 105.19 107.44 1scm n GLY 136 Ca -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1scm n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1scm n GLY 137 N -2.20 0.56 3.46 -0.02 0.00 -1.26 -5.02 105.19 100.70 1scm n GLY 137 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1scm n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1scm s LYS 138 N -0.21 2.81 -0.36 1.61 1.02 -1.14 -1.15 119.74 122.33 1scm s LYS 138 Ca 0.00 -0.67 -0.13 0.00 0.02 0.00 0.00 55.97 55.19 1scm s LYS 138 Cb 0.00 -2.49 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1scm s LYS 138 CO 0.00 0.50 0.24 0.12 -0.92 0.00 0.00 175.35 175.29 1scm s PHE 139 N -0.39 3.23 -0.60 3.18 5.36 0.51 -0.57 117.98 128.70 1scm s PHE 139 Ca 0.05 -0.40 -0.23 0.00 -0.96 0.00 0.00 56.93 55.39 1scm s PHE 139 Cb -0.12 -2.48 0.06 0.00 -0.34 0.00 0.00 43.02 40.13 1scm s PHE 139 CO 0.02 -0.45 0.92 0.34 -1.46 0.00 0.00 175.22 174.59 1scm s ASP 140 N 1.69 6.25 0.04 6.13 2.15 -0.92 -0.92 116.67 131.08 1scm s ASP 140 Ca 0.05 -0.73 0.28 0.00 0.43 0.00 0.00 52.55 52.59 1scm s ASP 140 Cb -0.18 -2.41 1.11 0.00 -0.30 0.00 0.00 42.92 41.15 1scm s ASP 140 CO 0.10 -1.29 1.87 0.00 -0.17 0.00 0.00 175.17 175.67 1scm n TYR 141 N 7.43 0.16 0.03 -5.34 0.18 -1.26 -0.79 117.16 117.57 1scm n TYR 141 Ca -0.02 0.05 -0.19 0.00 1.88 0.00 0.00 57.90 59.61 1scm n TYR 141 Cb 0.46 -0.56 -0.10 0.00 -0.38 0.00 0.00 39.34 38.76 1scm n TYR 141 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1scm h VAL 142 N 0.00 1.31 0.22 -3.48 2.07 -1.89 -2.31 116.25 112.16 1scm h VAL 142 Ca 0.00 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.33 1scm h VAL 142 Cb 0.54 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1scm h VAL 142 CO 0.00 0.67 -0.10 0.50 0.02 0.00 0.00 177.57 178.66 1scm h LYS 143 N 0.30 -0.28 -1.00 1.57 3.64 -1.89 -1.17 116.57 117.74 1scm h LYS 143 Ca -0.11 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.49 1scm h LYS 143 Cb 1.59 0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 33.28 1scm h LYS 143 CO 0.18 -0.19 -0.24 0.34 -2.27 0.00 0.00 179.45 177.28 1scm n PHE 144 N -3.47 0.37 0.21 1.91 7.35 0.03 -0.21 117.46 123.65 1scm n PHE 144 Ca -0.04 1.22 -0.15 0.00 -0.76 0.00 0.00 57.45 57.72 1scm n PHE 144 Cb 0.11 -1.08 -0.08 0.00 0.35 0.00 0.00 39.48 38.78 1scm n PHE 144 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1scm h THR 145 N 0.00 0.23 -0.85 -2.13 2.02 -1.46 0.20 112.91 110.92 1scm h THR 145 Ca 0.48 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.84 1scm h THR 145 Cb 0.74 0.23 -0.16 0.00 -1.74 0.00 0.00 68.15 67.23 1scm h THR 145 CO -1.02 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 174.68 1scm h ALA 146 N -0.29 0.61 0.67 6.16 0.00 0.72 -1.32 119.26 125.80 1scm h ALA 146 Ca -0.02 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1scm h ALA 146 Cb 0.68 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1scm h ALA 146 CO -0.09 -0.41 -0.42 1.98 0.00 0.00 0.00 179.25 180.31 1scm h MET 147 N 0.01 -0.99 -1.13 0.00 -1.53 -0.93 -2.43 114.93 107.93 1scm h MET 147 Ca 0.42 0.07 0.32 0.00 -3.44 0.00 0.00 59.70 57.06 1scm h MET 147 Cb 0.66 0.22 -0.06 0.00 -0.55 0.00 0.00 31.60 31.87 1scm h MET 147 CO -0.86 -0.66 0.79 0.97 0.14 0.00 0.00 176.91 177.29 1scm h ILE 148 N -1.02 0.44 -0.02 1.77 2.10 0.09 -3.51 117.51 117.35 1scm h ILE 148 Ca -0.08 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1scm h ILE 148 Cb 0.83 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 1scm h ILE 148 CO 0.08 0.02 0.00 1.17 -1.08 0.00 0.00 178.15 178.34