#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orb s ILE 2 N 0.00 2.51 -0.08 0.53 1.01 -1.26 -5.03 121.20 118.88 2orb s ILE 2 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.00 2orb s ILE 2 Cb 0.00 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.35 2orb s ILE 2 CO 0.00 -0.07 -0.14 -0.69 0.00 0.00 0.00 174.94 174.04 2orb s VAL 3 N -1.55 1.33 -0.12 2.92 1.01 -1.26 -4.79 120.40 117.94 2orb s VAL 3 Ca 0.78 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 2orb s VAL 3 Cb -0.32 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2orb s VAL 3 CO 0.35 0.40 0.03 -0.76 0.00 0.00 0.00 175.10 175.12 2orb s LEU 4 N 0.78 3.70 -0.14 3.92 1.43 -1.26 -1.56 118.68 125.55 2orb s LEU 4 Ca -0.12 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2orb s LEU 4 Cb -0.16 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.21 2orb s LEU 4 CO 0.02 0.30 -0.08 -0.89 0.23 0.00 0.00 176.35 175.94 2orb s THR 5 N -0.42 1.15 0.12 5.49 2.01 -0.70 -4.38 115.64 118.90 2orb s THR 5 Ca 0.09 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.64 2orb s THR 5 Cb -0.12 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 2orb s THR 5 CO 0.02 0.30 0.22 -1.10 -0.69 0.00 0.00 174.62 173.37 2orb s GLN 6 N 1.64 3.29 -0.18 4.92 -0.21 -1.26 -0.03 119.66 127.83 2orb s GLN 6 Ca 0.03 -0.61 -0.23 0.00 0.02 0.00 0.00 55.36 54.58 2orb s GLN 6 Cb -0.14 -2.91 0.06 0.00 1.00 0.00 0.00 33.01 31.02 2orb s GLN 6 CO -0.08 0.55 0.61 -1.54 -2.12 0.00 0.00 175.29 172.71 2orb s SER 7 N -2.91 -0.62 0.95 5.90 1.04 0.21 -4.63 113.70 113.65 2orb s SER 7 Ca 0.33 1.07 -0.12 0.00 0.48 0.00 0.00 55.95 57.71 2orb s SER 7 Cb -0.12 1.06 0.18 0.00 0.10 0.00 0.00 66.02 67.25 2orb s SER 7 CO 0.27 -0.31 1.10 -0.81 0.98 0.00 0.00 173.24 174.46 2orb n PRO 8 N 2.28 -0.94 -0.03 4.02 -0.04 -1.26 -0.87 135.00 138.15 2orb n PRO 8 Ca -0.15 -1.85 -0.13 0.00 -0.04 0.00 0.00 63.50 61.33 2orb n PRO 8 Cb 0.56 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 32.86 2orb n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2orb h ALA 9 N -1.63 0.12 -3.72 0.55 0.00 -1.87 -3.43 119.26 109.27 2orb h ALA 9 Ca -0.36 -0.27 -0.49 0.00 0.00 0.00 0.00 54.91 53.80 2orb h ALA 9 Cb 1.02 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.55 2orb h ALA 9 CO 0.27 -0.09 -0.81 -1.54 0.00 0.00 0.00 179.25 177.08 2orb s SER 10 N -5.87 2.02 -0.11 0.00 1.04 -1.26 -1.20 113.70 108.31 2orb s SER 10 Ca -0.15 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 2orb s SER 10 Cb 0.04 -0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.08 2orb s SER 10 CO 0.71 0.04 0.06 -0.22 0.98 0.00 0.00 173.24 174.81 2orb s LEU 11 N -1.45 0.38 -0.26 2.42 2.96 0.16 -4.91 118.68 117.99 2orb s LEU 11 Ca 0.03 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 2orb s LEU 11 Cb -0.09 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 2orb s LEU 11 CO 0.02 -0.29 0.10 0.00 -1.32 0.00 0.00 176.35 174.87 2orb s ALA 12 N 2.10 3.26 -0.01 5.97 0.00 -1.26 -0.29 121.76 131.53 2orb s ALA 12 Ca 0.03 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2orb s ALA 12 Cb -0.14 -2.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.79 2orb s ALA 12 CO -0.06 -0.50 -0.07 0.08 0.00 0.00 0.00 175.76 175.21 2orb s VAL 13 N 1.65 0.56 0.69 0.00 1.01 0.17 -4.89 120.40 119.59 2orb s VAL 13 Ca 0.07 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 2orb s VAL 13 Cb -0.15 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.76 2orb s VAL 13 CO 0.06 0.17 1.17 -0.44 0.00 0.00 0.00 175.10 176.06 2orb s SER 14 N 0.01 4.61 0.30 3.32 0.01 -1.26 -1.23 113.70 119.45 2orb s SER 14 Ca 0.00 2.24 -0.30 0.00 1.31 0.00 0.00 55.95 59.20 2orb s SER 14 Cb -0.05 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 63.49 2orb s SER 14 CO -0.00 -1.98 1.51 -0.11 0.41 0.00 0.00 173.24 173.07 2orb n LEU 15 N -2.49 4.08 0.00 2.44 -0.00 -1.24 -2.21 117.00 117.57 2orb n LEU 15 Ca 0.12 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 57.30 2orb n LEU 15 Cb 0.51 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 2orb n LEU 15 CO 0.47 -0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 2orb n GLY 16 N 1.80 2.69 0.00 -3.96 0.00 -0.62 -4.95 105.19 100.15 2orb n GLY 16 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2orb n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2orb n GLN 17 N 0.00 -1.29 -4.62 1.61 6.02 -0.94 -3.99 117.38 114.18 2orb n GLN 17 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 2orb n GLN 17 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 2orb n GLN 17 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2orb s ARG 18 N -2.43 3.31 -0.20 -1.09 3.52 -1.26 -2.27 118.95 118.52 2orb s ARG 18 Ca 0.00 -0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 54.94 2orb s ARG 18 Cb 0.00 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 2orb s ARG 18 CO 0.00 0.34 0.05 0.00 -0.81 0.00 0.00 175.30 174.88 2orb s ALA 19 N 0.05 3.24 -0.14 6.12 0.00 0.29 -4.93 121.76 126.39 2orb s ALA 19 Ca -0.02 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 2orb s ALA 19 Cb -0.14 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.09 2orb s ALA 19 CO 0.03 -0.08 -0.10 0.99 0.00 0.00 0.00 175.76 176.61 2orb s THR 20 N 0.86 1.28 -0.05 0.00 2.01 -1.26 -0.66 115.64 117.82 2orb s THR 20 Ca 0.03 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.56 2orb s THR 20 Cb -0.14 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 2orb s THR 20 CO 0.02 0.35 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.44 2orb s ILE 21 N 1.59 1.87 0.16 1.82 1.01 -0.22 -4.79 121.20 122.64 2orb s ILE 21 Ca 0.04 -0.97 0.08 0.00 0.00 0.00 0.00 60.65 59.80 2orb s ILE 21 Cb -0.13 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2orb s ILE 21 CO -0.09 0.52 -0.04 -0.44 0.00 0.00 0.00 174.94 174.90 2orb s SER 22 N -0.13 4.61 -0.09 3.58 0.01 -0.05 0.17 113.70 121.79 2orb s SER 22 Ca -0.03 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 2orb s SER 22 Cb -0.13 -0.93 0.04 0.00 0.21 0.00 0.00 66.02 65.22 2orb s SER 22 CO 0.03 0.11 0.21 0.00 0.41 0.00 0.00 173.24 174.00 2orb s ARG 24 N 1.29 3.06 -0.09 0.00 3.52 0.95 0.15 118.95 127.84 2orb s ARG 24 Ca -0.09 -0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 54.52 2orb s ARG 24 Cb -0.11 -2.42 -0.05 0.00 -1.56 0.00 0.00 34.95 30.81 2orb s ARG 24 CO -0.08 0.06 0.38 0.00 -0.81 0.00 0.00 175.30 174.85 2orb s ALA 25 N 0.65 3.61 -0.49 6.12 0.00 0.42 -1.73 121.76 130.34 2orb s ALA 25 Ca -0.11 -0.30 0.23 0.00 0.00 0.00 0.00 51.96 51.78 2orb s ALA 25 Cb -0.16 -2.44 0.97 0.00 0.00 0.00 0.00 23.12 21.49 2orb s ALA 25 CO 0.02 0.23 1.69 -1.13 0.00 0.00 0.00 175.76 176.58 2orb n SER 26 N 2.88 0.63 -4.13 0.00 3.41 -0.60 -4.62 113.62 111.18 2orb n SER 26 Ca -0.12 0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 59.04 2orb n SER 26 Cb 0.52 -0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 63.59 2orb n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2orb s GLU 27 N -3.31 1.29 1.09 4.33 2.02 -1.26 -4.95 118.70 117.92 2orb s GLU 27 Ca 0.04 -1.55 -0.13 0.00 0.02 0.00 0.00 54.97 53.35 2orb s GLU 27 Cb 0.09 0.32 0.21 0.00 0.10 0.00 0.00 34.13 34.85 2orb s GLU 27 CO 0.38 -0.46 0.87 0.45 0.02 0.00 0.00 175.26 176.52 2orb n SER 27 N -0.32 -1.34 -2.73 -0.19 2.88 -1.26 -4.78 113.62 105.88 2orb n SER 27 Ca 0.01 0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 2orb n SER 27 Cb 0.65 -1.27 0.07 0.00 -0.75 0.00 0.00 64.21 62.90 2orb n SER 27 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2orb n VAL 27 N -4.64 0.42 -3.20 2.46 0.31 -1.26 -5.02 118.33 107.40 2orb n VAL 27 Ca 0.05 -2.44 -0.21 0.00 -0.01 0.00 0.00 64.34 61.73 2orb n VAL 27 Cb 0.54 0.79 -0.07 0.00 -0.91 0.00 0.00 33.84 34.20 2orb n VAL 27 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2orb n ASP 27 N -0.21 -1.00 0.00 4.52 9.92 -1.26 -5.04 116.55 123.47 2orb n ASP 27 Ca 0.05 -2.59 0.00 0.00 -0.53 0.00 0.00 54.79 51.72 2orb n ASP 27 Cb 0.81 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.26 2orb n ASP 27 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2orb n MET 33 N 2.46 0.00 -4.12 -1.24 0.00 -1.26 -5.23 117.12 107.73 2orb n MET 33 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.83 2orb n MET 33 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.63 2orb n MET 33 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2orb s ASN 34 N 0.00 1.01 -0.04 6.12 0.01 -0.69 0.97 114.94 122.32 2orb s ASN 34 Ca 0.00 -0.78 0.07 0.00 -0.71 0.00 0.00 52.86 51.43 2orb s ASN 34 Cb 0.00 0.07 -0.01 0.00 0.41 0.00 0.00 41.25 41.71 2orb s ASN 34 CO 0.00 -0.34 -0.25 0.26 -1.51 0.00 0.00 177.10 175.27 2orb s TRP 35 N -2.53 2.30 0.15 2.20 0.52 0.20 0.79 118.94 122.57 2orb s TRP 35 Ca 0.01 -0.56 0.11 0.00 0.02 0.00 0.00 56.10 55.68 2orb s TRP 35 Cb -0.02 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 2orb s TRP 35 CO -0.02 -0.13 -0.26 -0.06 0.02 0.00 0.00 176.95 176.50 2orb s PHE 36 N -0.36 2.29 -0.14 -1.98 0.40 0.85 -0.76 117.98 118.28 2orb s PHE 36 Ca 0.03 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 2orb s PHE 36 Cb -0.12 -1.20 0.01 0.00 0.51 0.00 0.00 43.02 42.23 2orb s PHE 36 CO 0.01 0.39 -0.21 -1.14 0.70 0.00 0.00 175.22 174.98 2orb s GLN 37 N -2.28 2.89 -0.20 0.44 0.74 -0.13 -1.43 119.66 119.69 2orb s GLN 37 Ca 0.16 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.77 2orb s GLN 37 Cb -0.09 -2.38 0.04 0.00 1.10 0.00 0.00 33.01 31.68 2orb s GLN 37 CO 0.07 -0.06 -0.10 -1.14 -0.55 0.00 0.00 175.29 173.52 2orb s GLN 38 N 0.94 1.96 0.17 1.67 0.74 0.78 -0.80 119.66 125.12 2orb s GLN 38 Ca -0.04 -0.83 -0.06 0.00 0.05 0.00 0.00 55.36 54.48 2orb s GLN 38 Cb -0.15 -2.40 -0.06 0.00 1.10 0.00 0.00 33.01 31.51 2orb s GLN 38 CO -0.04 -0.44 0.42 0.15 -0.55 0.00 0.00 175.29 174.83 2orb s LYS 39 N 1.41 3.67 0.31 1.67 1.02 -1.26 -1.56 119.74 125.00 2orb s LYS 39 Ca -0.01 0.01 -0.26 0.00 0.02 0.00 0.00 55.97 55.73 2orb s LYS 39 Cb -0.16 -2.79 -0.15 0.00 -0.52 0.00 0.00 37.83 34.21 2orb s LYS 39 CO -0.08 0.43 0.63 -0.35 -0.92 0.00 0.00 175.35 175.05 2orb n PRO 40 N 0.02 0.56 -0.61 -1.68 -0.04 -1.26 -1.13 135.00 130.85 2orb n PRO 40 Ca -0.02 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2orb n PRO 40 Cb 0.52 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2orb n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2orb n GLY 41 N 1.74 0.49 3.51 0.55 0.00 -1.26 -4.95 105.19 105.27 2orb n GLY 41 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2orb n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2orb s GLN 42 N -0.53 1.82 0.55 1.61 -0.21 -0.29 -5.13 119.66 117.48 2orb s GLN 42 Ca 0.00 -1.64 -0.11 0.00 0.02 0.00 0.00 55.36 53.63 2orb s GLN 42 Cb 0.00 -1.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 2orb s GLN 42 CO 0.00 0.35 0.95 -1.25 -2.12 0.00 0.00 175.29 173.22 2orb s PRO 43 N -3.42 3.68 0.64 2.91 0.04 -1.26 -4.57 135.00 133.03 2orb s PRO 43 Ca 0.29 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 2orb s PRO 43 Cb -0.06 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2orb s PRO 43 CO 0.16 -0.38 1.14 -0.35 0.04 0.00 0.00 177.00 177.60 2orb n PRO 44 N -2.26 0.98 -4.94 0.56 -0.04 -1.26 -4.67 135.00 123.36 2orb n PRO 44 Ca 0.05 0.38 -0.26 0.00 -0.04 0.00 0.00 63.50 63.63 2orb n PRO 44 Cb 0.54 -2.37 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 2orb n PRO 44 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2orb s LYS 45 N -3.14 1.66 -0.07 0.54 2.20 0.02 -4.95 119.74 116.00 2orb s LYS 45 Ca 0.80 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 55.42 2orb s LYS 45 Cb -0.39 -1.56 -0.05 0.00 -1.51 0.00 0.00 37.83 34.32 2orb s LYS 45 CO 0.43 0.39 1.56 -1.17 -0.36 0.00 0.00 175.35 176.20 2orb s LEU 46 N -0.36 4.29 -0.11 5.43 2.96 -1.26 -0.96 118.68 128.68 2orb s LEU 46 Ca 0.05 2.13 -0.10 0.00 -0.22 0.00 0.00 54.13 55.98 2orb s LEU 46 Cb -0.08 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 2orb s LEU 46 CO -0.00 -0.88 -0.20 0.18 -1.32 0.00 0.00 176.35 174.13 2orb n LEU 47 N 6.90 1.20 -4.13 -0.68 4.77 0.06 -4.46 117.00 120.66 2orb n LEU 47 Ca 0.16 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 56.16 2orb n LEU 47 Cb 0.43 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 2orb n LEU 47 CO 0.61 -0.37 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.18 2orb s ILE 48 N -2.13 1.19 0.10 -0.08 -1.09 -0.99 0.91 121.20 119.11 2orb s ILE 48 Ca -0.17 -0.71 0.06 0.00 -2.23 0.00 0.00 60.65 57.60 2orb s ILE 48 Cb 0.02 -1.00 -0.03 0.00 -1.58 0.00 0.00 42.46 39.87 2orb s ILE 48 CO 0.25 0.28 -0.15 -0.72 -1.23 0.00 0.00 174.94 173.37 2orb s TYR 49 N -0.44 1.37 -1.47 3.97 -0.85 0.19 -0.63 117.35 119.50 2orb s TYR 49 Ca 0.05 -0.50 -0.08 0.00 -0.52 0.00 0.00 57.07 56.03 2orb s TYR 49 Cb -0.06 -0.75 0.03 0.00 0.38 0.00 0.00 41.96 41.56 2orb s TYR 49 CO -0.00 0.12 0.75 0.00 -1.52 0.00 0.00 175.55 174.89 2orb n ALA 50 N 0.93 -1.10 0.00 9.51 0.00 -0.73 -1.05 120.51 128.07 2orb n ALA 50 Ca -0.18 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2orb n ALA 50 Cb 0.55 -4.10 0.00 0.00 0.00 0.00 0.00 19.45 15.90 2orb n ALA 50 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2orb n ILE 51 N -4.54 0.00 0.00 0.00 0.13 0.27 -4.16 119.36 111.06 2orb n ILE 51 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.60 2orb n ILE 51 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.38 2orb n ILE 51 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 2orb n SER 52 N 0.00 1.33 -4.67 9.51 3.41 -1.11 -3.32 113.62 118.77 2orb n SER 52 Ca 0.00 -0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 2orb n SER 52 Cb 0.00 0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 2orb n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2orb s ASN 53 N -0.66 6.80 0.36 4.04 0.01 -0.21 -4.62 114.94 120.66 2orb s ASN 53 Ca 0.00 0.98 -0.25 0.00 -0.71 0.00 0.00 52.86 52.88 2orb s ASN 53 Cb 0.00 -2.39 -0.09 0.00 0.41 0.00 0.00 41.25 39.18 2orb s ASN 53 CO 0.00 -0.31 1.02 -0.13 -1.51 0.00 0.00 177.10 176.18 2orb s ARG 54 N 1.91 4.35 0.38 -0.60 0.52 -1.26 0.55 118.95 124.80 2orb s ARG 54 Ca 0.33 1.49 -0.26 0.00 -0.52 0.00 0.00 55.73 56.77 2orb s ARG 54 Cb -0.16 -2.70 -0.09 0.00 0.52 0.00 0.00 34.95 32.52 2orb s ARG 54 CO 0.12 0.03 1.17 0.20 0.02 0.00 0.00 175.30 176.84 2orb s GLY 55 N -1.50 2.90 -0.38 -3.53 0.00 0.26 -4.86 107.32 100.22 2orb s GLY 55 Ca 0.54 0.99 -0.33 0.00 0.00 0.00 0.00 44.72 45.92 2orb s GLY 55 CO 0.28 1.52 2.25 -1.14 0.00 0.00 0.00 173.10 176.01 2orb n SER 56 N 0.27 2.24 0.00 1.64 3.41 -1.26 0.54 113.62 120.46 2orb n SER 56 Ca 0.03 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2orb n SER 56 Cb 0.46 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 2orb n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2orb n GLY 57 N 6.36 1.72 3.73 5.00 0.00 -1.26 -5.10 105.19 115.65 2orb n GLY 57 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 2orb n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2orb s VAL 58 N -2.03 4.21 0.70 1.61 1.01 0.19 -5.04 120.40 121.05 2orb s VAL 58 Ca 0.00 1.88 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 2orb s VAL 58 Cb 0.00 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2orb s VAL 58 CO 0.00 0.31 1.06 -2.16 0.00 0.00 0.00 175.10 174.31 2orb s PRO 59 N -0.21 2.89 0.59 2.72 0.04 -1.26 -4.86 135.00 134.91 2orb s PRO 59 Ca 0.48 0.92 0.29 0.00 0.04 0.00 0.00 61.00 62.73 2orb s PRO 59 Cb -0.26 -1.99 1.73 0.00 0.04 0.00 0.00 34.50 34.02 2orb s PRO 59 CO 0.32 -1.12 2.18 0.00 0.04 0.00 0.00 177.00 178.42 2orb h ALA 60 N -0.73 1.68 -1.32 8.56 0.00 -1.98 -2.82 119.26 122.65 2orb h ALA 60 Ca -0.44 -0.00 0.38 0.00 0.00 0.00 0.00 54.91 54.85 2orb h ALA 60 Cb 1.21 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2orb h ALA 60 CO 0.57 -0.13 1.03 0.00 0.00 0.00 0.00 179.25 180.72 2orb h ARG 61 N 0.00 0.00 -6.18 0.00 3.08 -1.92 -3.41 114.38 105.95 2orb h ARG 61 Ca 0.04 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.48 2orb h ARG 61 Cb 0.22 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 2orb h ARG 61 CO -0.00 0.00 -0.58 -0.06 -1.07 0.00 0.00 179.97 178.26 2orb s PHE 62 N -4.82 3.18 -0.14 3.04 0.40 -1.07 -0.73 117.98 117.84 2orb s PHE 62 Ca -0.05 0.04 -0.30 0.00 -0.60 0.00 0.00 56.93 56.02 2orb s PHE 62 Cb 0.22 -1.57 0.12 0.00 0.51 0.00 0.00 43.02 42.30 2orb s PHE 62 CO 0.76 0.52 0.98 -1.54 0.70 0.00 0.00 175.22 176.64 2orb s SER 63 N -2.74 -0.38 0.15 1.36 1.04 -0.27 -4.97 113.70 107.89 2orb s SER 63 Ca 0.30 0.38 0.06 0.00 0.48 0.00 0.00 55.95 57.17 2orb s SER 63 Cb -0.11 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2orb s SER 63 CO 0.23 -0.38 -0.13 -0.83 0.98 0.00 0.00 173.24 173.12 2orb s GLY 64 N -1.25 1.17 0.09 7.32 0.00 -1.25 0.69 107.32 114.09 2orb s GLY 64 Ca -0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 2orb s GLY 64 CO 0.01 -1.55 0.16 -1.14 0.00 0.00 0.00 173.10 170.58 2orb n SER 65 N 0.03 -0.46 0.00 1.64 3.41 -0.61 -4.39 113.62 113.24 2orb n SER 65 Ca -0.12 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2orb n SER 65 Cb 0.59 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 2orb n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2orb n GLY 66 N -0.14 -0.88 0.00 5.00 0.00 -1.26 -2.03 105.19 105.87 2orb n GLY 66 Ca -0.01 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2orb n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2orb n SER 67 N 0.00 0.00 0.00 1.61 3.41 -1.22 -5.00 113.62 112.42 2orb n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2orb n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2orb n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2orb n GLY 68 N -0.35 1.56 0.09 5.00 0.00 -1.26 -4.19 105.19 106.04 2orb n GLY 68 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 2orb n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2orb n THR 69 N 0.00 1.48 -4.23 2.61 -2.24 -1.26 -4.40 114.28 106.24 2orb n THR 69 Ca 0.00 0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 2orb n THR 69 Cb 0.00 -2.22 -0.09 0.00 -2.10 0.00 0.00 70.33 65.92 2orb n THR 69 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2orb s ASP 70 N -6.32 4.96 0.38 3.42 1.47 -1.26 0.16 116.67 119.49 2orb s ASP 70 Ca -0.25 -0.13 0.05 0.00 1.18 0.00 0.00 52.55 53.40 2orb s ASP 70 Cb 0.05 -1.20 -0.02 0.00 -0.34 0.00 0.00 42.92 41.41 2orb s ASP 70 CO 0.40 0.22 0.17 0.49 0.68 0.00 0.00 175.17 177.14 2orb n PHE 71 N 0.98 -0.08 -3.59 2.11 3.01 0.39 -3.43 117.46 116.86 2orb n PHE 71 Ca -0.13 -2.60 -0.15 0.00 1.01 0.00 0.00 57.45 55.59 2orb n PHE 71 Cb 0.52 0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.99 2orb n PHE 71 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2orb s SER 72 N -3.40 -0.45 -0.10 4.37 1.04 -0.86 -0.19 113.70 114.10 2orb s SER 72 Ca 0.24 0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.92 2orb s SER 72 Cb 0.01 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 2orb s SER 72 CO 0.17 -0.66 0.04 -0.22 0.98 0.00 0.00 173.24 173.56 2orb s LEU 73 N -1.71 3.82 -0.08 2.42 0.20 0.13 -1.57 118.68 121.89 2orb s LEU 73 Ca -0.08 0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.98 2orb s LEU 73 Cb -0.01 -1.90 0.02 0.00 -0.43 0.00 0.00 46.19 43.87 2orb s LEU 73 CO 0.02 0.38 -0.07 0.20 -0.29 0.00 0.00 176.35 176.58 2orb s ASN 74 N -0.86 1.67 -0.12 3.68 -0.87 0.22 -1.06 114.94 117.60 2orb s ASN 74 Ca 0.13 -0.23 0.01 0.00 -1.57 0.00 0.00 52.86 51.20 2orb s ASN 74 Cb -0.12 -0.69 -0.01 0.00 -0.02 0.00 0.00 41.25 40.42 2orb s ASN 74 CO 0.03 -0.07 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.70 2orb s ILE 75 N 1.22 2.78 -0.30 0.60 1.01 0.16 -1.12 121.20 125.56 2orb s ILE 75 Ca -0.05 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.68 2orb s ILE 75 Cb -0.14 -2.14 0.17 0.00 0.01 0.00 0.00 42.46 40.37 2orb s ILE 75 CO -0.02 0.54 1.06 -2.28 0.00 0.00 0.00 174.94 174.24 2orb s HIS 76 N 0.30 -0.53 0.33 3.97 2.46 0.09 0.10 115.29 122.02 2orb s HIS 76 Ca -0.12 0.85 -0.27 0.00 0.47 0.00 0.00 55.06 55.99 2orb s HIS 76 Cb -0.16 0.29 -0.09 0.00 -0.13 0.00 0.00 32.58 32.49 2orb s HIS 76 CO 0.06 -0.27 1.03 -2.14 -2.47 0.00 0.00 174.74 170.96 2orb s PRO 77 N 2.45 4.45 0.11 2.88 0.02 -1.26 -4.57 135.00 139.08 2orb s PRO 77 Ca -0.01 1.56 -0.30 0.00 0.02 0.00 0.00 61.00 62.27 2orb s PRO 77 Cb -0.06 -2.86 -0.06 0.00 0.02 0.00 0.00 34.50 31.55 2orb s PRO 77 CO -0.16 0.11 1.13 0.08 -0.33 0.00 0.00 177.00 177.83 2orb s VAL 78 N -1.46 4.04 0.45 3.83 1.01 -0.96 -4.88 120.40 122.42 2orb s VAL 78 Ca 0.51 1.59 0.06 0.00 0.00 0.00 0.00 61.98 64.13 2orb s VAL 78 Cb -0.25 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2orb s VAL 78 CO 0.31 0.19 0.15 -1.61 0.00 0.00 0.00 175.10 174.15 2orb s GLU 79 N 0.39 2.18 0.43 2.72 2.02 -1.26 -1.59 118.70 123.59 2orb s GLU 79 Ca 0.54 -2.02 0.14 0.00 0.02 0.00 0.00 54.97 53.65 2orb s GLU 79 Cb -0.29 -1.86 1.03 0.00 0.10 0.00 0.00 34.13 33.11 2orb s GLU 79 CO 0.32 -0.22 1.96 0.93 0.02 0.00 0.00 175.26 178.27 2orb h GLU 80 N 1.37 0.41 -0.06 1.61 5.08 -1.93 -2.22 114.58 118.83 2orb h GLU 80 Ca -0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2orb h GLU 80 Cb 1.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2orb h GLU 80 CO 0.71 0.27 0.00 -3.47 -1.00 0.00 0.00 179.01 175.52 2orb n ASP 81 N -4.47 0.61 0.02 1.42 2.03 -1.25 -4.27 116.55 110.63 2orb n ASP 81 Ca 0.11 -1.56 -0.07 0.00 0.52 0.00 0.00 54.79 53.79 2orb n ASP 81 Cb 0.41 -0.04 -0.12 0.00 -0.72 0.00 0.00 41.12 40.65 2orb n ASP 81 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2orb h ASP 82 N 0.80 0.00 -1.37 1.67 3.32 -1.75 -3.47 116.42 115.62 2orb h ASP 82 Ca 0.00 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.31 2orb h ASP 82 Cb 0.18 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.77 2orb h ASP 82 CO 0.00 0.96 0.40 -0.81 -1.72 0.00 0.00 179.24 178.07 2orb n PRO 83 N -3.17 0.66 -3.03 3.56 -0.04 -1.26 -4.83 135.00 126.89 2orb n PRO 83 Ca -0.09 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2orb n PRO 83 Cb 0.98 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2orb n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2orb n ALA 84 N 2.68 0.00 -2.82 0.55 0.00 -1.08 -4.90 120.51 114.94 2orb n ALA 84 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 2orb n ALA 84 Cb 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 2orb n ALA 84 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2orb s MET 85 N -0.36 3.92 -0.06 0.00 -1.94 -0.60 -1.32 119.30 118.94 2orb s MET 85 Ca 0.00 -0.34 0.06 0.00 -1.71 0.00 0.00 55.69 53.70 2orb s MET 85 Cb 0.00 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 2orb s MET 85 CO 0.00 0.31 -0.25 0.71 -0.01 0.00 0.00 175.02 175.78 2orb s TYR 86 N 0.27 2.46 0.06 -0.03 1.51 -0.40 -0.15 117.35 121.06 2orb s TYR 86 Ca 0.04 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.39 2orb s TYR 86 Cb -0.12 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 2orb s TYR 86 CO 0.00 -0.24 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.01 2orb s PHE 87 N -0.11 1.17 0.07 2.71 0.40 -0.52 -0.87 117.98 120.84 2orb s PHE 87 Ca -0.05 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.87 2orb s PHE 87 Cb -0.14 -0.67 -0.04 0.00 0.51 0.00 0.00 43.02 42.68 2orb s PHE 87 CO 0.04 0.04 0.04 0.00 0.70 0.00 0.00 175.22 176.04 2orb s GLN 89 N -2.25 0.69 -0.21 0.00 0.74 0.24 -0.76 119.66 118.11 2orb s GLN 89 Ca 0.27 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 55.02 2orb s GLN 89 Cb -0.12 -0.61 -0.01 0.00 1.10 0.00 0.00 33.01 33.37 2orb s GLN 89 CO 0.19 0.15 -0.06 -1.14 -0.55 0.00 0.00 175.29 173.87 2orb s GLN 90 N -1.04 3.35 -0.71 1.67 -0.44 -0.47 -1.70 119.66 120.32 2orb s GLN 90 Ca -0.02 -0.64 0.01 0.00 -2.50 0.00 0.00 55.36 52.21 2orb s GLN 90 Cb -0.07 -2.93 0.18 0.00 -1.64 0.00 0.00 33.01 28.54 2orb s GLN 90 CO 0.01 -0.15 0.53 0.95 0.50 0.00 0.00 175.29 177.13 2orb s THR 91 N 1.32 3.48 0.45 -0.34 -4.23 -1.26 -2.98 115.64 112.08 2orb s THR 91 Ca 0.04 -3.70 -0.20 0.00 -1.18 0.00 0.00 61.69 56.65 2orb s THR 91 Cb -0.14 -3.25 -0.10 0.00 1.34 0.00 0.00 72.50 70.34 2orb s THR 91 CO -0.03 -0.97 0.96 -1.83 -0.54 0.00 0.00 174.62 172.21 2orb s GLU 93 N -0.92 4.16 0.39 3.99 -1.05 -1.26 -5.00 118.70 119.00 2orb s GLU 93 Ca 0.23 1.09 -0.28 0.00 -0.15 0.00 0.00 54.97 55.86 2orb s GLU 93 Cb -0.13 -2.17 -0.11 0.00 -0.44 0.00 0.00 34.13 31.29 2orb s GLU 93 CO -0.10 -0.09 1.47 0.08 0.95 0.00 0.00 175.26 177.57 2orb s VAL 94 N -2.28 2.09 0.19 1.83 1.01 -1.26 -3.84 120.40 118.14 2orb s VAL 94 Ca 0.61 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 2orb s VAL 94 Cb -0.09 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 2orb s VAL 94 CO 0.17 0.02 0.78 -2.16 0.00 0.00 0.00 175.10 173.91 2orb s PRO 95 N -2.13 4.53 0.28 2.72 0.04 -1.26 -4.76 135.00 134.42 2orb s PRO 95 Ca 0.54 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 2orb s PRO 95 Cb -0.46 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 30.80 2orb s PRO 95 CO 0.62 0.53 1.38 -1.58 0.04 0.00 0.00 177.00 177.98 2orb s TRP 96 N -1.23 3.03 0.25 0.56 0.51 -1.25 -4.66 118.94 116.15 2orb s TRP 96 Ca 0.38 1.21 0.08 0.00 -2.12 0.00 0.00 56.10 55.64 2orb s TRP 96 Cb -0.22 -3.76 -0.05 0.00 -0.81 0.00 0.00 33.47 28.63 2orb s TRP 96 CO 0.25 -2.29 -0.11 0.95 -0.51 0.00 0.00 176.95 175.24 2orb s THR 97 N -0.50 1.79 0.17 2.01 -4.23 -1.16 -4.99 115.64 108.73 2orb s THR 97 Ca 0.55 -2.20 0.10 0.00 -1.18 0.00 0.00 61.69 58.96 2orb s THR 97 Cb -0.41 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 2orb s THR 97 CO 0.48 -0.43 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.55 2orb s PHE 98 N -2.93 2.07 0.85 3.99 0.40 -1.26 -1.36 117.98 119.73 2orb s PHE 98 Ca 0.27 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 56.07 2orb s PHE 98 Cb 0.01 -1.04 0.10 0.00 0.51 0.00 0.00 43.02 42.60 2orb s PHE 98 CO 0.10 0.40 1.11 0.20 0.70 0.00 0.00 175.22 177.74 2orb s GLY 99 N -2.58 1.60 0.55 4.36 0.00 0.06 -4.63 107.32 106.68 2orb s GLY 99 Ca 0.17 -0.32 0.37 0.00 0.00 0.00 0.00 44.72 44.94 2orb s GLY 99 CO 0.08 0.16 2.12 -1.33 0.00 0.00 0.00 173.10 174.13 2orb h GLY 100 N -1.28 0.00 0.00 0.20 0.00 -1.91 -3.44 103.07 96.64 2orb h GLY 100 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2orb h GLY 100 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2orb n GLY 101 N -0.80 0.92 2.98 4.60 0.00 -1.26 -5.07 105.19 106.55 2orb n GLY 101 Ca -0.02 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 2orb n GLY 101 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2orb s THR 102 N -1.46 0.80 -0.26 2.61 -1.32 -0.05 -4.81 115.64 111.15 2orb s THR 102 Ca 0.00 -0.33 -0.19 0.00 -1.21 0.00 0.00 61.69 59.97 2orb s THR 102 Cb 0.00 -0.74 -0.02 0.00 -1.51 0.00 0.00 72.50 70.23 2orb s THR 102 CO 0.00 0.27 0.55 -0.75 -2.21 0.00 0.00 174.62 172.47 2orb s LYS 103 N 0.48 4.07 -0.24 7.08 2.20 -0.34 -1.28 119.74 131.71 2orb s LYS 103 Ca -0.08 0.37 -0.13 0.00 -0.36 0.00 0.00 55.97 55.77 2orb s LYS 103 Cb -0.12 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 2orb s LYS 103 CO 0.01 -0.38 0.28 -1.17 -0.36 0.00 0.00 175.35 173.73 2orb s LEU 104 N 2.37 4.09 -0.02 5.43 2.96 -0.43 0.35 118.68 133.43 2orb s LEU 104 Ca 0.23 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2orb s LEU 104 Cb -0.16 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 2orb s LEU 104 CO 0.09 -0.05 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.28 2orb s GLU 105 N 1.46 2.29 0.36 1.98 2.02 0.60 -2.62 118.70 124.79 2orb s GLU 105 Ca 0.12 -0.83 -0.14 0.00 0.02 0.00 0.00 54.97 54.15 2orb s GLU 105 Cb -0.15 -2.23 -0.08 0.00 0.10 0.00 0.00 34.13 31.77 2orb s GLU 105 CO 0.08 0.59 0.76 0.42 0.02 0.00 0.00 175.26 177.13 2orb s ILE 106 N -0.73 4.70 -0.12 -1.63 -1.09 -1.26 -0.65 121.20 120.41 2orb s ILE 106 Ca 0.12 0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 59.37 2orb s ILE 106 Cb -0.10 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2orb s ILE 106 CO 0.01 -0.33 -0.03 -0.54 -1.23 0.00 0.00 174.94 172.82 2orb s LYS 107 N -3.34 3.35 0.14 2.79 1.02 -0.36 -4.73 119.74 118.60 2orb s LYS 107 Ca 0.54 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 56.04 2orb s LYS 107 Cb -0.10 -2.83 -0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2orb s LYS 107 CO 0.23 0.43 0.16 2.89 -0.92 0.00 0.00 175.35 178.14 2orb n ARG 108 N 2.96 0.23 -1.92 1.68 1.85 -1.26 -3.67 116.66 116.53 2orb n ARG 108 Ca -0.18 -1.30 -0.32 0.00 -1.00 0.00 0.00 57.85 55.05 2orb n ARG 108 Cb 0.53 1.15 0.02 0.00 -1.05 0.00 0.00 32.46 33.10 2orb n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2orb s ALA 109 N -2.34 2.75 0.73 2.89 0.00 -1.26 -4.97 121.76 119.56 2orb s ALA 109 Ca 0.15 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 2orb s ALA 109 Cb 0.00 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.95 2orb s ALA 109 CO 0.10 -0.89 1.22 -0.25 0.00 0.00 0.00 175.76 175.94 2orb n ASP 110 N -2.35 1.44 -3.70 0.00 8.00 -1.26 -4.79 116.55 113.89 2orb n ASP 110 Ca 0.08 0.70 -0.12 0.00 0.71 0.00 0.00 54.79 56.16 2orb n ASP 110 Cb 0.53 -1.52 -0.13 0.00 -0.02 0.00 0.00 41.12 39.99 2orb n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2orb s ALA 111 N -1.77 -0.66 0.39 2.24 0.00 -0.28 -4.90 121.76 116.78 2orb s ALA 111 Ca 0.78 1.09 -0.24 0.00 0.00 0.00 0.00 51.96 53.59 2orb s ALA 111 Cb -0.34 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.87 2orb s ALA 111 CO 0.46 -0.35 1.01 0.00 0.00 0.00 0.00 175.76 176.88 2orb s ALA 112 N 1.65 3.10 0.37 0.00 0.00 -1.26 -1.34 121.76 124.29 2orb s ALA 112 Ca -0.06 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.27 2orb s ALA 112 Cb -0.11 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 2orb s ALA 112 CO -0.09 -0.08 1.00 -1.25 0.00 0.00 0.00 175.76 175.34 2orb s PRO 113 N -2.50 4.33 -0.28 0.00 0.04 -1.26 -4.52 135.00 130.81 2orb s PRO 113 Ca 0.57 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 2orb s PRO 113 Cb -0.19 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 2orb s PRO 113 CO 0.24 0.03 0.73 0.99 0.04 0.00 0.00 177.00 179.03 2orb s THR 114 N -1.70 4.88 -0.14 1.26 2.01 -0.34 -4.82 115.64 116.78 2orb s THR 114 Ca 0.55 1.19 -0.06 0.00 0.31 0.00 0.00 61.69 63.68 2orb s THR 114 Cb -0.19 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2orb s THR 114 CO 0.25 -0.12 0.07 -0.69 -0.69 0.00 0.00 174.62 173.44 2orb s VAL 115 N 2.75 4.89 -0.04 3.82 1.01 -1.26 -1.54 120.40 130.03 2orb s VAL 115 Ca 0.30 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2orb s VAL 115 Cb -0.15 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.09 2orb s VAL 115 CO 0.10 0.54 -0.07 -0.44 0.00 0.00 0.00 175.10 175.23 2orb s SER 116 N -0.29 1.14 0.03 3.32 0.01 -0.34 -4.97 113.70 112.59 2orb s SER 116 Ca 0.09 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.23 2orb s SER 116 Cb -0.12 -0.48 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 2orb s SER 116 CO 0.01 -0.01 -0.13 -0.51 0.41 0.00 0.00 173.24 173.02 2orb s ILE 117 N 0.66 3.20 -0.06 1.44 2.07 -1.26 -0.29 121.20 126.97 2orb s ILE 117 Ca -0.10 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 58.14 2orb s ILE 117 Cb -0.13 -2.38 0.02 0.00 0.13 0.00 0.00 42.46 40.10 2orb s ILE 117 CO 0.01 0.35 -0.06 -0.36 -1.91 0.00 0.00 174.94 172.97 2orb s PHE 118 N -0.97 0.91 0.81 3.50 0.40 0.38 -4.97 117.98 118.05 2orb s PHE 118 Ca 0.16 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 2orb s PHE 118 Cb -0.11 -0.79 0.08 0.00 0.51 0.00 0.00 43.02 42.71 2orb s PHE 118 CO 0.07 -0.24 1.09 -2.14 0.70 0.00 0.00 175.22 174.70 2orb s PRO 119 N 1.04 1.96 0.30 0.24 0.02 -1.26 -1.45 135.00 135.85 2orb s PRO 119 Ca -0.09 0.75 -0.29 0.00 0.02 0.00 0.00 61.00 61.39 2orb s PRO 119 Cb -0.14 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 2orb s PRO 119 CO -0.00 -1.74 1.38 -2.14 -0.33 0.00 0.00 177.00 174.17 2orb s PRO 120 N -5.07 4.29 0.64 5.54 0.02 -1.19 -4.80 135.00 134.43 2orb s PRO 120 Ca 0.61 2.29 -0.16 0.00 0.02 0.00 0.00 61.00 63.77 2orb s PRO 120 Cb -0.15 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 2orb s PRO 120 CO 0.55 -0.33 1.11 -1.54 -0.33 0.00 0.00 177.00 176.47 2orb s SER 121 N -0.08 5.21 0.49 2.53 1.04 -1.26 -4.89 113.70 116.74 2orb s SER 121 Ca 0.54 2.03 0.16 0.00 0.48 0.00 0.00 55.95 59.16 2orb s SER 121 Cb -0.41 -2.56 1.19 0.00 0.10 0.00 0.00 66.02 64.34 2orb s SER 121 CO 0.50 -1.56 2.08 0.77 0.98 0.00 0.00 173.24 176.01 2orb h SER 122 N 0.23 0.14 -0.09 7.02 4.64 -1.99 -2.45 113.55 121.05 2orb h SER 122 Ca -0.47 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2orb h SER 122 Cb 1.25 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2orb h SER 122 CO 0.55 0.09 0.04 -0.33 -0.87 0.00 0.00 176.83 176.31 2orb h GLU 123 N 0.16 0.09 -0.64 4.77 3.07 -1.98 -1.44 114.58 118.60 2orb h GLU 123 Ca 0.12 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 2orb h GLU 123 Cb 0.27 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2orb h GLU 123 CO -0.02 0.06 0.14 0.37 -1.40 0.00 0.00 179.01 178.16 2orb h GLN 124 N 0.09 1.03 -0.86 2.33 4.15 -1.74 -2.69 115.11 117.41 2orb h GLN 124 Ca 0.03 -0.24 0.01 0.00 0.77 0.00 0.00 58.65 59.22 2orb h GLN 124 Cb 0.00 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 2orb h GLN 124 CO -0.02 0.92 0.57 -0.07 -1.93 0.00 0.00 178.83 178.30 2orb h LEU 125 N 0.97 0.98 -1.82 -2.39 -0.00 -1.10 -1.01 115.31 110.94 2orb h LEU 125 Ca 0.20 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.03 2orb h LEU 125 Cb 0.37 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2orb h LEU 125 CO 0.00 0.70 -0.13 0.74 -0.00 0.00 0.00 178.44 179.75 2orb h THR 126 N 1.15 0.59 -0.63 0.22 2.02 -0.93 -2.17 112.91 113.16 2orb h THR 126 Ca 0.32 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2orb h THR 126 Cb -0.10 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2orb h THR 126 CO -0.08 0.13 0.00 -1.20 0.37 0.00 0.00 175.52 174.75 2orb n SER 127 N -3.64 4.37 0.00 4.18 7.64 -0.45 -4.93 113.62 120.78 2orb n SER 127 Ca -0.02 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.52 2orb n SER 127 Cb 0.26 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2orb n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2orb n GLY 128 N 1.19 0.81 3.67 0.23 0.00 -0.81 -5.04 105.19 105.24 2orb n GLY 128 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 2orb n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2orb s GLY 129 N -1.86 1.67 -0.30 -0.02 0.00 -0.82 -1.09 107.32 104.88 2orb s GLY 129 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.24 2orb s GLY 129 CO 0.00 -1.52 0.31 0.00 0.00 0.00 0.00 173.10 171.89 2orb s ALA 130 N -1.99 -0.49 -0.15 3.20 0.00 -0.42 -3.00 121.76 118.91 2orb s ALA 130 Ca 0.29 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.80 2orb s ALA 130 Cb -0.08 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2orb s ALA 130 CO 0.20 -1.78 0.04 -1.12 0.00 0.00 0.00 175.76 173.09 2orb s SER 131 N 2.22 5.49 -0.15 0.00 0.01 -1.26 0.56 113.70 120.57 2orb s SER 131 Ca 0.11 0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.43 2orb s SER 131 Cb -0.14 -1.85 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 2orb s SER 131 CO -0.28 0.23 -0.06 -0.69 0.41 0.00 0.00 173.24 172.85 2orb s VAL 132 N 0.01 3.62 0.02 3.43 1.01 -0.02 -3.20 120.40 125.27 2orb s VAL 132 Ca 0.05 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2orb s VAL 132 Cb -0.12 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2orb s VAL 132 CO 0.01 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 2orb s VAL 133 N 0.44 2.74 -0.03 2.92 1.01 -0.53 -1.24 120.40 125.72 2orb s VAL 133 Ca -0.05 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2orb s VAL 133 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2orb s VAL 133 CO 0.03 0.41 -0.03 0.00 0.00 0.00 0.00 175.10 175.52 2orb s PHE 135 N 0.78 2.66 -0.31 0.00 0.08 0.60 -1.10 117.98 120.69 2orb s PHE 135 Ca -0.09 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 56.64 2orb s PHE 135 Cb -0.12 -1.65 0.09 0.00 -0.57 0.00 0.00 43.02 40.76 2orb s PHE 135 CO -0.01 0.04 0.01 -0.51 -0.10 0.00 0.00 175.22 174.65 2orb s LEU 136 N -0.44 4.05 -0.05 -0.37 1.02 0.35 -1.20 118.68 122.03 2orb s LEU 136 Ca 0.05 -1.85 0.01 0.00 0.02 0.00 0.00 54.13 52.36 2orb s LEU 136 Cb -0.12 -1.50 -0.03 0.00 0.02 0.00 0.00 46.19 44.56 2orb s LEU 136 CO 0.02 -0.33 -0.05 0.20 0.02 0.00 0.00 176.35 176.21 2orb s ASN 137 N 1.05 4.79 -1.13 2.29 0.02 -0.59 0.82 114.94 122.19 2orb s ASN 137 Ca 0.05 -0.02 -0.05 0.00 -1.02 0.00 0.00 52.86 51.83 2orb s ASN 137 Cb -0.19 -1.22 -0.04 0.00 0.02 0.00 0.00 41.25 39.83 2orb s ASN 137 CO -0.09 0.34 0.92 0.59 0.02 0.00 0.00 177.10 178.88 2orb n ASN 138 N 2.00 -4.60 -4.77 -1.22 4.13 -0.29 -1.19 115.26 109.32 2orb n ASN 138 Ca -0.17 -0.72 -0.27 0.00 1.68 0.00 0.00 54.58 55.10 2orb n ASN 138 Cb 0.53 -4.94 -0.06 0.00 -1.54 0.00 0.00 39.78 33.77 2orb n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2orb s PHE 139 N -3.41 2.22 -0.28 3.10 -0.71 0.07 -4.53 117.98 114.43 2orb s PHE 139 Ca 0.27 -0.73 -0.23 0.00 -1.04 0.00 0.00 56.93 55.20 2orb s PHE 139 Cb -0.04 -1.86 0.12 0.00 -1.21 0.00 0.00 43.02 40.03 2orb s PHE 139 CO 0.75 0.08 1.00 -0.47 -1.34 0.00 0.00 175.22 175.24 2orb s TYR 140 N -2.71 -0.52 1.16 3.49 6.14 -0.45 -0.20 117.35 124.25 2orb s TYR 140 Ca 0.31 1.22 -0.18 0.00 0.64 0.00 0.00 57.07 59.06 2orb s TYR 140 Cb 0.03 0.36 0.27 0.00 0.42 0.00 0.00 41.96 43.04 2orb s TYR 140 CO 0.17 -0.25 1.10 -1.25 0.64 0.00 0.00 175.55 175.97 2orb s PRO 141 N 0.43 -0.87 0.28 4.97 0.04 -1.26 -1.13 135.00 137.47 2orb s PRO 141 Ca 0.01 0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.14 2orb s PRO 141 Cb -0.05 -1.62 0.41 0.00 0.04 0.00 0.00 34.50 33.28 2orb s PRO 141 CO -0.08 -3.50 1.76 -0.22 0.04 0.00 0.00 177.00 175.00 2orb h LYS 142 N -2.44 0.61 -6.28 4.56 3.64 -1.99 -3.43 116.57 111.25 2orb h LYS 142 Ca -0.48 -0.18 -0.56 0.00 -1.27 0.00 0.00 60.65 58.15 2orb h LYS 142 Cb 1.30 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2orb h LYS 142 CO 0.40 0.71 1.04 0.34 -2.27 0.00 0.00 179.45 179.67 2orb s ASP 143 N -6.74 6.59 -0.08 4.20 -1.08 -1.26 -4.97 116.67 113.32 2orb s ASP 143 Ca -0.08 1.54 -0.20 0.00 -0.52 0.00 0.00 52.55 53.29 2orb s ASP 143 Cb 0.14 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 39.11 2orb s ASP 143 CO 0.79 -1.10 0.47 -0.51 0.52 0.00 0.00 175.17 175.35 2orb s ILE 144 N 4.57 0.02 -0.04 4.11 2.07 -1.26 -4.71 121.20 125.96 2orb s ILE 144 Ca 0.64 -0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.71 2orb s ILE 144 Cb -0.22 -0.74 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 2orb s ILE 144 CO 0.25 -0.10 -0.06 0.20 -1.91 0.00 0.00 174.94 173.32 2orb s ASN 145 N -0.73 4.71 -0.07 4.50 0.01 -0.02 -4.98 114.94 118.37 2orb s ASN 145 Ca -0.08 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.06 2orb s ASN 145 Cb -0.03 -1.17 -0.02 0.00 0.41 0.00 0.00 41.25 40.43 2orb s ASN 145 CO 0.04 0.34 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.12 2orb s VAL 146 N -0.89 2.88 -0.05 1.60 1.01 -1.25 -0.56 120.40 123.13 2orb s VAL 146 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2orb s VAL 146 Cb -0.11 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2orb s VAL 146 CO 0.04 0.57 -0.14 -0.54 0.00 0.00 0.00 175.10 175.03 2orb s LYS 147 N -0.35 1.61 -0.06 2.72 1.02 0.15 -4.93 119.74 119.89 2orb s LYS 147 Ca 0.03 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 2orb s LYS 147 Cb -0.12 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 2orb s LYS 147 CO 0.02 0.12 0.11 -1.58 -0.92 0.00 0.00 175.35 173.11 2orb s TRP 148 N 0.34 3.43 -0.03 3.18 0.52 -1.26 0.11 118.94 125.25 2orb s TRP 148 Ca -0.09 0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.40 2orb s TRP 148 Cb -0.13 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 2orb s TRP 148 CO 0.03 0.63 -0.02 0.15 0.02 0.00 0.00 176.95 177.75 2orb s LYS 149 N -1.38 0.45 -0.18 4.98 1.02 -0.20 -1.18 119.74 123.26 2orb s LYS 149 Ca 0.19 -0.03 -0.00 0.00 0.02 0.00 0.00 55.97 56.14 2orb s LYS 149 Cb -0.12 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 2orb s LYS 149 CO 0.09 -0.06 -0.14 0.42 -0.92 0.00 0.00 175.35 174.74 2orb s ILE 150 N 0.68 2.63 -1.36 2.17 1.01 0.29 -0.29 121.20 126.33 2orb s ILE 150 Ca -0.07 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 2orb s ILE 150 Cb -0.11 -2.13 0.06 0.00 0.01 0.00 0.00 42.46 40.29 2orb s ILE 150 CO -0.01 0.50 0.54 0.47 0.00 0.00 0.00 174.94 176.44 2orb n ASP 151 N 4.42 -4.33 0.00 3.58 9.92 0.12 -0.59 116.55 129.67 2orb n ASP 151 Ca -0.19 -0.38 0.00 0.00 -0.53 0.00 0.00 54.79 53.69 2orb n ASP 151 Cb 0.51 -3.55 0.00 0.00 -0.64 0.00 0.00 41.12 37.44 2orb n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2orb n GLY 152 N -1.28 2.65 3.72 0.44 0.00 -1.26 -5.01 105.19 104.45 2orb n GLY 152 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2orb n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2orb s SER 153 N -2.01 6.20 0.27 1.61 0.01 0.24 -4.98 113.70 115.04 2orb s SER 153 Ca 0.00 0.21 -0.31 0.00 1.31 0.00 0.00 55.95 57.17 2orb s SER 153 Cb 0.00 -2.09 -0.12 0.00 0.21 0.00 0.00 66.02 64.01 2orb s SER 153 CO 0.00 0.16 1.51 1.21 0.41 0.00 0.00 173.24 176.53 2orb n GLU 154 N 3.64 2.39 -4.59 12.44 2.13 -1.26 -0.55 120.64 134.84 2orb n GLU 154 Ca -0.16 0.85 -0.34 0.00 0.66 0.00 0.00 57.16 58.18 2orb n GLU 154 Cb 0.52 -2.57 -0.12 0.00 0.27 0.00 0.00 31.44 29.53 2orb n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2orb s ARG 155 N -0.47 3.16 -0.15 5.31 6.06 -0.32 -4.87 118.95 127.67 2orb s ARG 155 Ca 0.66 -0.57 0.01 0.00 -2.50 0.00 0.00 55.73 53.33 2orb s ARG 155 Cb -0.57 -2.69 -0.10 0.00 0.06 0.00 0.00 34.95 31.65 2orb s ARG 155 CO 0.49 0.44 -0.14 0.94 -2.50 0.00 0.00 175.30 174.53 2orb n GLN 156 N 2.90 0.38 -3.01 5.12 -0.06 -1.26 -4.38 117.38 117.07 2orb n GLN 156 Ca -0.18 0.09 -0.34 0.00 -2.00 0.00 0.00 57.00 54.57 2orb n GLN 156 Cb 0.53 -1.30 -0.06 0.00 -4.06 0.00 0.00 30.24 25.34 2orb n GLN 156 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2orb s ASN 157 N -5.51 6.94 0.00 1.69 -0.87 -1.26 -4.18 114.94 111.75 2orb s ASN 157 Ca -0.21 1.47 0.00 0.00 -1.57 0.00 0.00 52.86 52.56 2orb s ASN 157 Cb 0.05 -2.45 0.00 0.00 -0.02 0.00 0.00 41.25 38.84 2orb s ASN 157 CO 0.35 -0.18 0.00 0.61 -2.57 0.00 0.00 177.10 175.32 2orb n GLY 158 N -0.09 0.52 3.41 0.66 0.00 -1.26 -4.79 105.19 103.63 2orb n GLY 158 Ca 0.03 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 2orb n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2orb s VAL 159 N -2.00 4.02 -0.20 1.61 1.01 -1.25 -0.21 120.40 123.38 2orb s VAL 159 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2orb s VAL 159 Cb 0.00 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2orb s VAL 159 CO 0.00 0.37 -0.14 -0.76 0.00 0.00 0.00 175.10 174.57 2orb s LEU 160 N 1.56 2.45 0.09 3.92 1.43 -0.05 -4.94 118.68 123.13 2orb s LEU 160 Ca 0.06 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2orb s LEU 160 Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2orb s LEU 160 CO 0.02 -0.00 -0.01 0.20 0.23 0.00 0.00 176.35 176.78 2orb s ASN 161 N 1.35 5.00 -0.18 2.29 0.01 -1.26 -0.93 114.94 121.21 2orb s ASN 161 Ca 0.05 -0.18 -0.08 0.00 -0.71 0.00 0.00 52.86 51.94 2orb s ASN 161 Cb -0.14 -1.18 0.08 0.00 0.41 0.00 0.00 41.25 40.42 2orb s ASN 161 CO -0.09 0.18 0.41 -0.55 -1.51 0.00 0.00 177.10 175.54 2orb s SER 162 N -2.27 -0.33 0.02 -1.22 0.15 0.39 -4.97 113.70 105.47 2orb s SER 162 Ca 0.25 0.94 -0.02 0.00 0.70 0.00 0.00 55.95 57.82 2orb s SER 162 Cb -0.12 1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 65.24 2orb s SER 162 CO 0.18 -0.22 0.21 0.26 1.20 0.00 0.00 173.24 174.87 2orb s TRP 163 N 2.13 3.54 0.43 3.44 0.51 -1.26 -0.50 118.94 127.23 2orb s TRP 163 Ca -0.05 0.35 0.01 0.00 -2.12 0.00 0.00 56.10 54.30 2orb s TRP 163 Cb -0.11 -1.83 -0.01 0.00 -0.81 0.00 0.00 33.47 30.72 2orb s TRP 163 CO -0.13 0.62 0.64 0.95 -0.51 0.00 0.00 176.95 178.52 2orb s THR 164 N -1.40 4.06 0.93 2.01 -4.23 -0.16 -5.00 115.64 111.85 2orb s THR 164 Ca 0.30 -0.57 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 2orb s THR 164 Cb -0.13 -3.49 0.15 0.00 1.34 0.00 0.00 72.50 70.38 2orb s THR 164 CO 0.22 -0.32 1.10 -1.81 -0.54 0.00 0.00 174.62 173.27 2orb s ASP 165 N -4.20 3.20 0.27 3.99 1.01 -1.26 -4.49 116.67 115.18 2orb s ASP 165 Ca 0.47 1.25 -0.30 0.00 0.71 0.00 0.00 52.55 54.69 2orb s ASP 165 Cb -0.10 -1.92 -0.11 0.00 1.01 0.00 0.00 42.92 41.81 2orb s ASP 165 CO 0.37 -2.78 1.53 -1.58 0.21 0.00 0.00 175.17 172.91 2orb s GLN 166 N -5.02 4.19 0.37 8.23 0.74 -1.26 -4.70 119.66 122.21 2orb s GLN 166 Ca 0.64 2.44 -0.28 0.00 0.05 0.00 0.00 55.36 58.21 2orb s GLN 166 Cb -0.17 -3.07 -0.11 0.00 1.10 0.00 0.00 33.01 30.76 2orb s GLN 166 CO 0.56 -0.54 1.45 0.34 -0.55 0.00 0.00 175.29 176.56 2orb s ASP 167 N 0.48 6.38 -0.22 6.67 2.15 0.60 -4.91 116.67 127.82 2orb s ASP 167 Ca 0.62 2.97 0.11 0.00 0.43 0.00 0.00 52.55 56.68 2orb s ASP 167 Cb -0.45 -2.66 0.68 0.00 -0.30 0.00 0.00 42.92 40.19 2orb s ASP 167 CO 0.45 -0.84 1.57 -1.54 -0.17 0.00 0.00 175.17 174.64 2orb n SER 168 N 0.46 4.86 0.03 -0.34 3.41 -1.26 -2.47 113.62 118.30 2orb n SER 168 Ca 0.01 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 2orb n SER 168 Cb 0.40 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2orb n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2orb n LYS 169 N 0.38 0.00 -0.08 4.33 4.76 -1.26 -3.97 118.16 122.32 2orb n LYS 169 Ca 0.26 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.76 2orb n LYS 169 Cb 1.10 -0.35 0.09 0.00 -1.84 0.00 0.00 35.03 34.03 2orb n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2orb n ASP 170 N -3.06 2.37 -2.14 4.39 5.68 -1.26 -4.98 116.55 117.55 2orb n ASP 170 Ca 0.00 -1.71 -0.18 0.00 -0.50 0.00 0.00 54.79 52.40 2orb n ASP 170 Cb 0.24 -0.11 -0.03 0.00 -1.14 0.00 0.00 41.12 40.08 2orb n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2orb n SER 171 N 0.55 -5.08 -4.99 -1.12 7.64 -1.03 -4.99 113.62 104.60 2orb n SER 171 Ca 0.09 0.17 -0.19 0.00 1.01 0.00 0.00 58.87 59.95 2orb n SER 171 Cb 0.34 -4.34 0.05 0.00 -1.01 0.00 0.00 64.21 59.25 2orb n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2orb s THR 172 N -2.78 2.36 0.33 0.44 -4.23 -1.26 -4.65 115.64 105.85 2orb s THR 172 Ca 0.00 -0.95 0.10 0.00 -1.18 0.00 0.00 61.69 59.66 2orb s THR 172 Cb 0.00 -2.41 -0.06 0.00 1.34 0.00 0.00 72.50 71.37 2orb s THR 172 CO 0.00 0.00 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.72 2orb s TYR 173 N -2.64 2.48 0.02 3.99 2.02 0.72 -0.29 117.35 123.64 2orb s TYR 173 Ca 0.61 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.88 2orb s TYR 173 Cb -0.07 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 2orb s TYR 173 CO 0.38 0.55 -0.04 -1.12 -1.57 0.00 0.00 175.55 173.76 2orb s SER 174 N -3.65 0.37 0.00 2.29 0.01 -1.26 -0.75 113.70 110.70 2orb s SER 174 Ca 0.33 -0.46 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 2orb s SER 174 Cb -0.00 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 2orb s SER 174 CO 0.18 -0.25 0.08 -0.32 0.41 0.00 0.00 173.24 173.34 2orb s MET 175 N -1.35 0.39 -0.08 12.44 1.75 0.24 -0.99 119.30 131.71 2orb s MET 175 Ca -0.13 -0.42 0.05 0.00 -1.25 0.00 0.00 55.69 53.94 2orb s MET 175 Cb -0.09 0.16 -0.01 0.00 2.84 0.00 0.00 34.83 37.73 2orb s MET 175 CO -0.01 -0.08 -0.24 0.45 -0.65 0.00 0.00 175.02 174.49 2orb s SER 176 N -1.28 3.15 -0.10 1.11 0.15 0.34 -0.49 113.70 116.59 2orb s SER 176 Ca -0.14 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.01 2orb s SER 176 Cb -0.08 -1.08 0.02 0.00 -1.71 0.00 0.00 66.02 63.18 2orb s SER 176 CO 0.01 0.21 -0.11 -0.55 1.20 0.00 0.00 173.24 174.00 2orb s SER 177 N 0.02 2.10 -0.13 5.45 0.15 -0.25 -0.46 113.70 120.56 2orb s SER 177 Ca -0.09 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.25 2orb s SER 177 Cb -0.15 -0.89 0.01 0.00 -1.71 0.00 0.00 66.02 63.28 2orb s SER 177 CO 0.06 -0.04 -0.19 -0.89 1.20 0.00 0.00 173.24 173.37 2orb s THR 178 N 1.22 1.84 -0.45 6.45 2.01 -0.11 -1.36 115.64 125.24 2orb s THR 178 Ca -0.04 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 60.99 2orb s THR 178 Cb -0.14 -1.65 0.08 0.00 0.01 0.00 0.00 72.50 70.79 2orb s THR 178 CO -0.03 0.51 0.34 -0.22 -0.69 0.00 0.00 174.62 174.53 2orb s LEU 179 N 0.96 5.46 -0.27 4.42 0.20 -0.37 -0.87 118.68 128.21 2orb s LEU 179 Ca -0.05 -1.44 -0.14 0.00 0.69 0.00 0.00 54.13 53.19 2orb s LEU 179 Cb -0.15 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 2orb s LEU 179 CO -0.03 -0.61 0.33 -0.89 -0.29 0.00 0.00 176.35 174.85 2orb s THR 180 N 1.54 5.21 0.53 3.68 2.01 0.70 -0.84 115.64 128.47 2orb s THR 180 Ca 0.04 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2orb s THR 180 Cb -0.24 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 2orb s THR 180 CO 0.04 0.18 0.01 -0.76 -0.69 0.00 0.00 174.62 173.40 2orb s LEU 181 N 1.99 2.23 0.24 4.42 1.43 0.19 -4.66 118.68 124.53 2orb s LEU 181 Ca 0.13 -1.68 -0.03 0.00 -1.03 0.00 0.00 54.13 51.52 2orb s LEU 181 Cb -0.16 -0.72 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 2orb s LEU 181 CO 0.10 -0.91 0.47 0.28 0.23 0.00 0.00 176.35 176.51 2orb s THR 182 N -2.90 5.12 0.22 5.49 -1.32 -1.26 -1.30 115.64 119.70 2orb s THR 182 Ca 0.03 -0.17 -0.07 0.00 -1.21 0.00 0.00 61.69 60.26 2orb s THR 182 Cb 0.00 -3.73 0.17 0.00 -1.51 0.00 0.00 72.50 67.43 2orb s THR 182 CO 0.01 -0.25 1.77 0.50 -2.21 0.00 0.00 174.62 174.45 2orb h LYS 183 N 1.84 0.53 -0.56 7.08 3.64 -1.32 -1.25 116.57 126.53 2orb h LYS 183 Ca -0.48 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 2orb h LYS 183 Cb 1.19 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2orb h LYS 183 CO 0.67 0.35 0.31 -0.44 -2.27 0.00 0.00 179.45 178.07 2orb h ASP 184 N 0.55 0.46 -0.13 4.20 3.45 -1.94 -0.37 116.42 122.64 2orb h ASP 184 Ca 0.35 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.83 2orb h ASP 184 Cb 0.40 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 2orb h ASP 184 CO -0.29 0.32 0.08 -0.33 -1.57 0.00 0.00 179.24 177.45 2orb h GLU 185 N 0.59 0.17 -0.89 3.56 5.08 -1.78 -2.74 114.58 118.57 2orb h GLU 185 Ca 0.24 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 2orb h GLU 185 Cb 0.11 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2orb h GLU 185 CO -0.14 0.13 0.53 -0.92 -1.00 0.00 0.00 179.01 177.61 2orb h TYR 186 N 0.16 0.96 0.00 4.33 3.20 -0.68 -0.94 116.97 123.99 2orb h TYR 186 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2orb h TYR 186 Cb 0.00 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.98 2orb h TYR 186 CO -0.06 0.37 0.00 0.93 -1.64 0.00 0.00 178.16 177.76 2orb h GLU 187 N 0.85 0.00 0.00 1.82 4.39 -0.79 -2.98 114.58 117.87 2orb h GLU 187 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 2orb h GLU 187 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2orb h GLU 187 CO -0.27 0.00 -0.41 0.54 -1.16 0.00 0.00 179.01 177.71 2orb n ARG 188 N -2.60 0.26 -4.36 2.33 1.74 -0.36 -4.89 116.66 108.77 2orb n ARG 188 Ca 0.01 0.12 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 2orb n ARG 188 Cb 0.26 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 2orb n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2orb s HIS 189 N -3.13 1.84 -0.11 -1.55 3.76 -1.13 -5.08 115.29 109.88 2orb s HIS 189 Ca 0.08 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.47 2orb s HIS 189 Cb 0.13 -0.86 -0.06 0.00 1.11 0.00 0.00 32.58 32.91 2orb s HIS 189 CO 0.68 0.42 -0.12 -1.71 -0.85 0.00 0.00 174.74 173.16 2orb n ASN 190 N -0.27 2.33 -4.79 1.40 5.15 -1.26 -4.78 115.26 113.04 2orb n ASN 190 Ca -0.09 0.01 -0.36 0.00 -0.60 0.00 0.00 54.58 53.55 2orb n ASN 190 Cb 0.60 -0.23 -0.07 0.00 -0.53 0.00 0.00 39.78 39.54 2orb n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2orb s SER 191 N -5.41 6.36 -0.08 1.20 1.04 -1.26 0.01 113.70 115.56 2orb s SER 191 Ca -0.15 0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.71 2orb s SER 191 Cb 0.05 -2.11 0.01 0.00 0.10 0.00 0.00 66.02 64.07 2orb s SER 191 CO 0.24 0.25 -0.14 -0.31 0.98 0.00 0.00 173.24 174.25 2orb s TYR 192 N -0.17 1.69 -0.02 5.02 1.51 -0.70 0.16 117.35 124.84 2orb s TYR 192 Ca 0.13 -0.67 0.03 0.00 -1.01 0.00 0.00 57.07 55.54 2orb s TYR 192 Cb -0.12 -1.22 -0.00 0.00 -0.11 0.00 0.00 41.96 40.51 2orb s TYR 192 CO 0.02 -0.34 -0.09 0.99 -1.11 0.00 0.00 175.55 175.02 2orb s THR 193 N 0.71 0.79 -0.21 -0.71 2.01 0.60 -1.89 115.64 116.94 2orb s THR 193 Ca -0.13 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 2orb s THR 193 Cb -0.16 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 2orb s THR 193 CO 0.03 0.24 0.04 0.00 -0.69 0.00 0.00 174.62 174.24 2orb s GLU 195 N 1.06 2.58 -0.28 0.00 2.02 0.12 -1.87 118.70 122.32 2orb s GLU 195 Ca 0.03 -0.70 -0.07 0.00 0.02 0.00 0.00 54.97 54.26 2orb s GLU 195 Cb -0.14 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2orb s GLU 195 CO 0.02 -0.01 0.07 0.00 0.02 0.00 0.00 175.26 175.36 2orb s ALA 196 N 0.81 3.05 -0.16 5.21 0.00 -0.55 0.31 121.76 130.45 2orb s ALA 196 Ca -0.09 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.50 2orb s ALA 196 Cb -0.16 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2orb s ALA 196 CO 0.00 -0.81 -0.17 0.95 0.00 0.00 0.00 175.76 175.73 2orb s THR 197 N 1.51 2.52 0.00 0.00 -4.23 0.27 -1.48 115.64 114.24 2orb s THR 197 Ca 0.03 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2orb s THR 197 Cb -0.17 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2orb s THR 197 CO 0.02 0.52 0.00 1.57 -0.54 0.00 0.00 174.62 176.19 2orb n HIS 198 N 4.12 0.00 0.00 3.99 -0.00 -1.25 -0.84 115.22 121.23 2orb n HIS 198 Ca -0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.99 2orb n HIS 198 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2orb n HIS 198 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2orb n LYS 199 N 0.00 0.52 -0.03 1.57 0.00 -1.26 -4.72 118.16 114.24 2orb n LYS 199 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.32 2orb n LYS 199 Cb 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 35.03 34.71 2orb n LYS 199 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2orb n THR 200 N -0.44 0.09 0.00 3.15 -2.24 -1.26 -4.26 114.28 109.32 2orb n THR 200 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2orb n THR 200 Cb 0.00 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2orb n THR 200 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2orb n SER 201 N -0.24 0.00 -0.57 3.42 2.88 -1.26 -5.01 113.62 112.84 2orb n SER 201 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2orb n SER 201 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2orb n SER 201 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2orb n THR 202 N 0.00 0.09 -3.76 2.46 -2.24 -1.26 -3.96 114.28 105.61 2orb n THR 202 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 2orb n THR 202 Cb 0.00 -0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 2orb n THR 202 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2orb s SER 203 N -0.19 5.20 0.71 3.42 0.01 -1.26 -4.97 113.70 116.61 2orb s SER 203 Ca 0.00 -0.90 -0.16 0.00 1.31 0.00 0.00 55.95 56.20 2orb s SER 203 Cb 0.00 -1.87 0.03 0.00 0.21 0.00 0.00 66.02 64.38 2orb s SER 203 CO 0.00 -0.25 1.21 -2.16 0.41 0.00 0.00 173.24 172.45 2orb s PRO 204 N 1.46 2.28 -0.18 12.44 0.04 -1.26 -4.84 135.00 144.93 2orb s PRO 204 Ca 0.01 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.79 2orb s PRO 204 Cb -0.18 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2orb s PRO 204 CO 0.03 -1.74 -0.03 0.42 0.04 0.00 0.00 177.00 175.72 2orb s ILE 205 N -1.90 3.73 0.28 0.56 1.01 -0.55 -4.96 121.20 119.36 2orb s ILE 205 Ca 0.75 -0.40 0.12 0.00 0.00 0.00 0.00 60.65 61.12 2orb s ILE 205 Cb -0.30 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2orb s ILE 205 CO 0.43 0.46 -0.19 0.68 0.00 0.00 0.00 174.94 176.33 2orb s VAL 206 N 0.80 2.55 -0.18 2.92 -7.23 -1.26 -1.48 120.40 116.52 2orb s VAL 206 Ca -0.01 -2.37 -0.13 0.00 -1.81 0.00 0.00 61.98 57.66 2orb s VAL 206 Cb -0.14 -2.34 0.05 0.00 0.56 0.00 0.00 36.38 34.51 2orb s VAL 206 CO 0.02 -0.39 0.46 -0.75 -0.31 0.00 0.00 175.10 174.12 2orb s LYS 207 N -3.50 0.49 0.25 4.82 2.47 -0.78 -5.01 119.74 118.47 2orb s LYS 207 Ca 0.30 0.74 -0.17 0.00 -1.56 0.00 0.00 55.97 55.28 2orb s LYS 207 Cb -0.05 0.14 0.01 0.00 -1.46 0.00 0.00 37.83 36.47 2orb s LYS 207 CO 0.15 -0.11 0.58 -1.54 0.16 0.00 0.00 175.35 174.59 2orb s SER 208 N 0.78 -0.18 0.15 1.43 1.04 -1.26 -0.42 113.70 115.24 2orb s SER 208 Ca -0.04 -0.73 -0.06 0.00 0.48 0.00 0.00 55.95 55.59 2orb s SER 208 Cb -0.05 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 2orb s SER 208 CO -0.06 -1.20 0.21 0.72 0.98 0.00 0.00 173.24 173.89 2orb s PHE 209 N -3.96 0.57 -0.10 5.02 -0.12 -0.79 -5.00 117.98 113.60 2orb s PHE 209 Ca 0.16 -0.93 0.02 0.00 -0.05 0.00 0.00 56.93 56.13 2orb s PHE 209 Cb -0.03 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.15 2orb s PHE 209 CO 0.06 -0.66 -0.17 -0.80 -0.05 0.00 0.00 175.22 173.61 2orb s ASN 210 N -3.00 3.71 0.40 1.98 0.01 -1.26 -1.73 114.94 115.06 2orb s ASN 210 Ca 0.20 -0.37 0.07 0.00 -0.71 0.00 0.00 52.86 52.05 2orb s ASN 210 Cb 0.05 -1.30 0.84 0.00 0.41 0.00 0.00 41.25 41.25 2orb s ASN 210 CO 0.01 0.21 2.05 -0.09 -1.51 0.00 0.00 177.10 177.77 2orb h ARG 211 N 6.33 0.57 0.00 -0.60 2.43 -0.72 -3.10 114.38 119.28 2orb h ARG 211 Ca -0.30 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.73 2orb h ARG 211 Cb 1.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2orb h ARG 211 CO 0.52 0.38 -0.52 -2.95 -1.51 0.00 0.00 179.97 175.89 2orb h ASN 212 N 0.59 0.00 0.00 -3.80 -1.07 -1.93 -3.52 115.58 105.84 2orb h ASN 212 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.54 2orb h ASN 212 Cb -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.21 2orb h ASN 212 CO -0.04 0.52 0.00 -1.84 0.07 0.00 0.00 177.43 176.14