#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orq s VAL 2 N 0.00 1.42 -0.28 2.53 1.01 -1.26 -4.70 120.40 119.11 1orq s VAL 2 Ca 0.00 -2.06 -0.23 0.00 0.00 0.00 0.00 61.98 59.68 1orq s VAL 2 Cb 0.00 -2.56 0.13 0.00 0.00 0.00 0.00 36.38 33.95 1orq s VAL 2 CO 0.00 -0.20 1.03 0.00 0.00 0.00 0.00 175.10 175.92 1orq s GLN 3 N -3.80 0.47 0.19 2.72 -2.07 -0.63 -5.01 119.66 111.53 1orq s GLN 3 Ca 0.32 0.61 0.06 0.00 -1.82 0.00 0.00 55.36 54.53 1orq s GLN 3 Cb 0.06 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 32.14 1orq s GLN 3 CO 0.13 -0.06 0.10 -0.51 -1.32 0.00 0.00 175.29 173.62 1orq s LEU 4 N 0.47 3.63 -0.18 2.60 1.02 -1.26 -0.48 118.68 124.48 1orq s LEU 4 Ca 0.01 -0.25 -0.05 0.00 0.02 0.00 0.00 54.13 53.86 1orq s LEU 4 Cb -0.05 -2.24 0.07 0.00 0.02 0.00 0.00 46.19 43.99 1orq s LEU 4 CO -0.09 0.05 0.12 -1.58 0.02 0.00 0.00 176.35 174.88 1orq s GLN 5 N -3.20 0.09 0.57 1.70 2.00 -1.07 -4.20 119.66 115.55 1orq s GLN 5 Ca 0.30 -0.05 -0.19 0.00 -2.00 0.00 0.00 55.36 53.42 1orq s GLN 5 Cb -0.09 -1.67 -0.05 0.00 0.80 0.00 0.00 33.01 32.00 1orq s GLN 5 CO 0.22 -0.69 1.16 -1.21 -0.50 0.00 0.00 175.29 174.27 1orq s GLU 6 N 2.17 3.19 -0.13 1.67 8.01 -1.26 -2.56 118.70 129.79 1orq s GLU 6 Ca 0.03 1.69 -0.30 0.00 0.01 0.00 0.00 54.97 56.40 1orq s GLU 6 Cb -0.16 -1.97 0.10 0.00 -4.31 0.00 0.00 34.13 27.79 1orq s GLU 6 CO -0.11 -1.00 0.88 -1.54 0.01 0.00 0.00 175.26 173.50 1orq s SER 7 N -1.72 -0.50 0.00 -0.19 1.04 -1.15 -4.95 113.70 106.23 1orq s SER 7 Ca 0.74 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1orq s SER 7 Cb -0.26 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1orq s SER 7 CO 0.30 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1orq n GLY 8 N 0.99 0.29 3.77 7.32 0.00 -1.26 -1.51 105.19 114.78 1orq n GLY 8 Ca -0.14 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1orq n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1orq s PRO 9 N -1.99 4.21 0.00 1.61 0.04 -1.26 -4.89 135.00 132.72 1orq s PRO 9 Ca 0.00 2.42 0.25 0.00 0.04 0.00 0.00 61.00 63.71 1orq s PRO 9 Cb 0.00 -3.03 0.38 0.00 0.04 0.00 0.00 34.50 31.89 1orq s PRO 9 CO 0.00 -0.42 1.36 0.41 0.04 0.00 0.00 177.00 178.39 1orq n GLY 10 N 1.07 0.63 3.12 0.56 0.00 -1.26 -4.82 105.19 104.49 1orq n GLY 10 Ca 0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 1orq n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1orq s LEU 11 N -2.06 0.75 -0.02 0.99 2.96 -1.26 -0.84 118.68 119.19 1orq s LEU 11 Ca 0.29 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1orq s LEU 11 Cb 0.20 0.86 0.01 0.00 0.50 0.00 0.00 46.19 47.76 1orq s LEU 11 CO 0.34 -0.12 0.05 0.68 -1.32 0.00 0.00 176.35 175.98 1orq s VAL 12 N 0.60 -0.01 0.27 1.68 -7.23 0.23 -4.95 120.40 110.98 1orq s VAL 12 Ca -0.04 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 1orq s VAL 12 Cb -0.05 -0.08 -0.09 0.00 0.56 0.00 0.00 36.38 36.71 1orq s VAL 12 CO -0.03 0.02 1.08 -0.54 -0.31 0.00 0.00 175.10 175.31 1orq s LYS 13 N 0.27 4.67 0.02 4.82 1.02 -1.26 -1.06 119.74 128.21 1orq s LYS 13 Ca -0.02 1.76 -0.34 0.00 0.02 0.00 0.00 55.97 57.39 1orq s LYS 13 Cb -0.03 -3.20 -0.17 0.00 -0.52 0.00 0.00 37.83 33.90 1orq s LYS 13 CO -0.01 0.25 0.89 -2.30 -0.92 0.00 0.00 175.35 173.26 1orq n PRO 14 N 1.28 0.00 -3.09 -1.68 -0.02 -1.26 -3.05 135.00 127.18 1orq n PRO 14 Ca -0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.34 1orq n PRO 14 Cb 0.45 -1.27 0.01 0.00 -0.02 0.00 0.00 33.50 32.67 1orq n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1orq n SER 15 N 1.36 -7.25 -3.51 2.55 2.88 0.33 -4.94 113.62 105.05 1orq n SER 15 Ca 0.17 0.15 -0.14 0.00 -1.33 0.00 0.00 58.87 57.73 1orq n SER 15 Cb 0.09 -4.43 -0.04 0.00 -0.75 0.00 0.00 64.21 59.08 1orq n SER 15 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1orq s GLN 16 N -2.86 0.98 -0.15 -1.46 2.00 -1.17 -4.83 119.66 112.16 1orq s GLN 16 Ca 0.19 0.00 -0.29 0.00 -2.00 0.00 0.00 55.36 53.26 1orq s GLN 16 Cb -0.04 0.46 -0.01 0.00 0.80 0.00 0.00 33.01 34.21 1orq s GLN 16 CO 0.79 -0.35 1.16 -1.12 -0.50 0.00 0.00 175.29 175.27 1orq s SER 17 N -1.69 7.04 -0.00 6.67 0.01 -1.26 -2.66 113.70 121.81 1orq s SER 17 Ca -0.04 1.61 -0.30 0.00 1.31 0.00 0.00 55.95 58.53 1orq s SER 17 Cb -0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 1orq s SER 17 CO 0.01 -0.66 1.03 -0.22 0.41 0.00 0.00 173.24 173.80 1orq s LEU 18 N 2.98 4.36 0.07 2.44 1.98 -0.07 -4.86 118.68 125.58 1orq s LEU 18 Ca 0.51 1.71 0.06 0.00 -2.89 0.00 0.00 54.13 53.53 1orq s LEU 18 Cb -0.20 -3.57 -0.03 0.00 0.66 0.00 0.00 46.19 43.05 1orq s LEU 18 CO 0.14 -0.32 -0.17 -0.44 -1.89 0.00 0.00 176.35 173.66 1orq s SER 19 N 1.04 2.09 0.01 3.68 0.01 -1.26 -1.17 113.70 118.10 1orq s SER 19 Ca 0.53 -0.57 -0.10 0.00 1.31 0.00 0.00 55.95 57.12 1orq s SER 19 Cb -0.22 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 65.89 1orq s SER 19 CO 0.27 0.04 0.20 -0.76 0.41 0.00 0.00 173.24 173.40 1orq s LEU 20 N -1.51 1.31 -0.25 2.44 1.43 -0.69 -4.27 118.68 117.13 1orq s LEU 20 Ca 0.03 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1orq s LEU 20 Cb -0.09 0.92 0.08 0.00 0.03 0.00 0.00 46.19 47.13 1orq s LEU 20 CO 0.02 -0.46 0.06 -0.89 0.23 0.00 0.00 176.35 175.32 1orq s THR 21 N -1.80 0.75 -0.34 5.49 2.01 -0.57 -1.85 115.64 119.34 1orq s THR 21 Ca -0.11 -1.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.70 1orq s THR 21 Cb -0.05 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 1orq s THR 21 CO 0.00 -0.43 0.53 0.00 -0.69 0.00 0.00 174.62 174.03 1orq s THR 23 N 2.42 3.45 0.28 0.00 -4.23 -1.06 -1.57 115.64 114.93 1orq s THR 23 Ca 0.20 -1.34 -0.16 0.00 -1.18 0.00 0.00 61.69 59.21 1orq s THR 23 Cb -0.15 -3.01 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 1orq s THR 23 CO 0.13 -0.22 0.71 0.54 -0.54 0.00 0.00 174.62 175.24 1orq s VAL 24 N 1.32 4.67 -0.07 2.29 0.11 -0.96 -2.61 120.40 125.16 1orq s VAL 24 Ca -0.02 1.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.99 1orq s VAL 24 Cb -0.20 -3.68 0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1orq s VAL 24 CO 0.01 -0.05 0.17 0.42 -3.33 0.00 0.00 175.10 172.31 1orq s THR 25 N -1.83 -0.01 0.00 5.04 -4.23 0.36 -4.76 115.64 110.22 1orq s THR 25 Ca 0.50 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1orq s THR 25 Cb -0.12 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.47 1orq s THR 25 CO 0.19 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 1orq n GLY 26 N 3.29 0.60 3.45 3.99 0.00 -1.26 -1.60 105.19 113.65 1orq n GLY 26 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1orq n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1orq s TYR 27 N -2.00 -0.52 -0.16 1.61 5.04 -1.26 -4.82 117.35 115.25 1orq s TYR 27 Ca 0.00 0.42 -0.07 0.00 -2.44 0.00 0.00 57.07 54.99 1orq s TYR 27 Cb 0.00 0.53 -0.04 0.00 0.35 0.00 0.00 41.96 42.80 1orq s TYR 27 CO 0.00 -0.75 0.08 0.45 -1.34 0.00 0.00 175.55 173.99 1orq s SER 28 N -2.44 5.80 0.00 4.32 0.15 -1.26 -4.95 113.70 115.31 1orq s SER 28 Ca 0.00 0.19 0.24 0.00 0.70 0.00 0.00 55.95 57.08 1orq s SER 28 Cb -0.01 -1.92 1.32 0.00 -1.71 0.00 0.00 66.02 63.70 1orq s SER 28 CO -0.09 0.26 1.79 2.30 1.20 0.00 0.00 173.24 178.70 1orq n ILE 29 N 2.97 0.13 -0.17 6.45 -5.35 -1.26 -2.54 119.36 119.59 1orq n ILE 29 Ca -0.18 0.03 0.05 0.00 -0.27 0.00 0.00 62.75 62.39 1orq n ILE 29 Cb 0.53 -0.65 0.15 0.00 -1.74 0.00 0.00 39.64 37.93 1orq n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1orq n THR 30 N -1.14 1.00 -0.12 7.28 -2.24 -1.26 -3.40 114.28 114.40 1orq n THR 30 Ca 0.15 -1.00 -0.15 0.00 -2.27 0.00 0.00 64.05 60.78 1orq n THR 30 Cb 0.13 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 68.73 1orq n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1orq n SER 31 N 0.50 1.43 0.00 3.42 7.64 -1.05 -4.79 113.62 120.77 1orq n SER 31 Ca 0.11 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1orq n SER 31 Cb 0.42 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1orq n SER 31 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1orq n LEU 32 N -3.09 0.00 -0.90 -3.43 7.94 -1.26 -4.98 117.00 111.29 1orq n LEU 32 Ca -0.41 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.60 1orq n LEU 32 Cb 1.03 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.93 1orq n LEU 32 CO 0.31 0.00 -0.37 -1.22 -1.11 0.00 0.00 177.39 175.00 1orq n TYR 33 N -0.08 -2.40 -4.08 1.96 4.02 -1.26 -4.50 117.16 110.82 1orq n TYR 33 Ca 0.00 1.31 -0.36 0.00 -0.01 0.00 0.00 57.90 58.84 1orq n TYR 33 Cb 0.00 -2.18 -0.07 0.00 -0.02 0.00 0.00 39.34 37.07 1orq n TYR 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1orq s ALA 34 N -3.51 3.65 -0.35 -0.72 0.00 -0.66 -2.28 121.76 117.89 1orq s ALA 34 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1orq s ALA 34 Cb 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 23.12 21.43 1orq s ALA 34 CO 0.00 0.63 0.12 -1.58 0.00 0.00 0.00 175.76 174.93 1orq s TRP 35 N -1.02 3.33 0.34 0.00 0.52 -0.51 0.21 118.94 121.81 1orq s TRP 35 Ca 0.16 -1.73 0.09 0.00 0.02 0.00 0.00 56.10 54.65 1orq s TRP 35 Cb -0.12 -2.52 -0.06 0.00 -1.15 0.00 0.00 33.47 29.63 1orq s TRP 35 CO 0.06 -0.81 -0.04 0.54 0.02 0.00 0.00 176.95 176.72 1orq s ASN 36 N 1.56 3.97 -0.20 2.95 2.20 -0.91 -2.14 114.94 122.38 1orq s ASN 36 Ca -0.00 -1.08 -0.07 0.00 -0.94 0.00 0.00 52.86 50.77 1orq s ASN 36 Cb -0.21 -0.45 -0.04 0.00 -2.00 0.00 0.00 41.25 38.56 1orq s ASN 36 CO 0.00 -0.21 0.05 0.26 -2.94 0.00 0.00 177.10 174.26 1orq s TRP 37 N -2.56 3.18 -0.14 1.54 0.52 -0.46 -1.53 118.94 119.49 1orq s TRP 37 Ca 0.34 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.40 1orq s TRP 37 Cb 0.01 -2.10 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 1orq s TRP 37 CO 0.18 0.01 -0.21 0.42 0.02 0.00 0.00 176.95 177.37 1orq s ILE 38 N 0.67 1.97 -0.05 2.03 1.09 0.20 -1.58 121.20 125.53 1orq s ILE 38 Ca 0.03 -0.92 0.01 0.00 -1.10 0.00 0.00 60.65 58.67 1orq s ILE 38 Cb -0.13 -1.75 -0.03 0.00 -1.06 0.00 0.00 42.46 39.49 1orq s ILE 38 CO 0.02 0.53 -0.05 0.00 -0.10 0.00 0.00 174.94 175.34 1orq s ARG 39 N 0.89 2.75 -0.21 2.79 1.70 -1.07 -0.81 118.95 124.99 1orq s ARG 39 Ca -0.06 -0.57 -0.01 0.00 -0.47 0.00 0.00 55.73 54.62 1orq s ARG 39 Cb -0.15 -2.61 0.01 0.00 -0.57 0.00 0.00 34.95 31.63 1orq s ARG 39 CO -0.03 0.65 -0.12 -1.14 -1.08 0.00 0.00 175.30 173.58 1orq s GLN 40 N -1.06 3.10 0.77 3.89 0.74 0.13 -1.40 119.66 125.84 1orq s GLN 40 Ca 0.14 -0.78 -0.11 0.00 0.05 0.00 0.00 55.36 54.66 1orq s GLN 40 Cb -0.11 -2.80 0.05 0.00 1.10 0.00 0.00 33.01 31.25 1orq s GLN 40 CO 0.04 -0.24 1.08 -0.06 -0.55 0.00 0.00 175.29 175.57 1orq s PHE 41 N 1.36 2.86 0.37 1.67 0.08 -0.34 -0.47 117.98 123.52 1orq s PHE 41 Ca 0.04 1.27 0.08 0.00 0.12 0.00 0.00 56.93 58.44 1orq s PHE 41 Cb -0.14 -3.04 0.81 0.00 -0.57 0.00 0.00 43.02 40.07 1orq s PHE 41 CO -0.08 -1.65 1.94 -1.35 -0.10 0.00 0.00 175.22 173.97 1orq h PRO 42 N -1.01 0.66 0.00 0.24 0.11 -1.90 0.43 132.00 130.53 1orq h PRO 42 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1orq h PRO 42 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1orq h PRO 42 CO 0.58 0.44 0.00 0.41 -0.21 0.00 0.00 178.00 179.21 1orq n GLY 43 N -1.46 -0.59 2.04 -0.55 0.00 -1.26 -4.80 105.19 98.57 1orq n GLY 43 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1orq n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1orq n ASN 44 N -1.17 -1.62 -4.82 1.61 3.02 0.15 -5.05 115.26 107.38 1orq n ASN 44 Ca 0.08 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.28 1orq n ASN 44 Cb 0.08 -0.90 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 1orq n ASN 44 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1orq s LYS 45 N -3.90 4.24 -0.20 3.52 1.02 -1.24 -4.84 119.74 118.34 1orq s LYS 45 Ca 0.00 0.96 -0.03 0.00 0.02 0.00 0.00 55.97 56.92 1orq s LYS 45 Cb 0.00 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 1orq s LYS 45 CO 0.00 0.21 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.06 1orq s LEU 46 N -2.56 2.81 -0.20 3.17 1.43 -1.26 -1.20 118.68 120.87 1orq s LEU 46 Ca 0.52 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1orq s LEU 46 Cb -0.13 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.42 1orq s LEU 46 CO 0.19 0.01 -0.12 -0.70 0.23 0.00 0.00 176.35 175.96 1orq s GLU 47 N 1.30 2.20 0.24 1.70 2.12 -0.49 -5.03 118.70 120.74 1orq s GLU 47 Ca 0.04 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.19 1orq s GLU 47 Cb -0.14 -2.47 -0.10 0.00 0.26 0.00 0.00 34.13 31.68 1orq s GLU 47 CO -0.03 -0.40 1.42 -0.46 -0.54 0.00 0.00 175.26 175.25 1orq s TRP 48 N 1.35 3.06 -0.25 5.30 -0.00 -1.26 -2.60 118.94 124.54 1orq s TRP 48 Ca -0.01 1.04 -0.02 0.00 -0.00 0.00 0.00 56.10 57.11 1orq s TRP 48 Cb -0.16 -3.79 -0.17 0.00 -0.00 0.00 0.00 33.47 29.35 1orq s TRP 48 CO -0.09 -2.57 -0.19 -1.33 -0.00 0.00 0.00 176.95 172.77 1orq n MET 49 N 2.45 0.65 0.00 5.86 2.81 -0.61 -4.76 117.12 123.51 1orq n MET 49 Ca 0.07 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1orq n MET 49 Cb 0.41 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1orq n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1orq n GLY 50 N 2.03 0.18 3.27 3.03 0.00 -1.24 0.37 105.19 112.82 1orq n GLY 50 Ca -0.46 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 1orq n GLY 50 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1orq n TYR 51 N -1.17 -1.34 -3.72 1.61 0.18 0.18 -1.36 117.16 111.55 1orq n TYR 51 Ca 0.00 -2.36 -0.12 0.00 1.88 0.00 0.00 57.90 57.30 1orq n TYR 51 Cb 0.00 0.51 -0.13 0.00 -0.38 0.00 0.00 39.34 39.34 1orq n TYR 51 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1orq s ILE 52 N -2.87 -0.09 0.54 -3.48 2.07 -0.91 -0.95 121.20 115.50 1orq s ILE 52 Ca 0.30 0.16 0.08 0.00 -1.41 0.00 0.00 60.65 59.78 1orq s ILE 52 Cb -0.01 -0.40 0.06 0.00 0.13 0.00 0.00 42.46 42.24 1orq s ILE 52 CO 0.21 0.07 0.62 0.54 -1.91 0.00 0.00 174.94 174.47 1orq s ASN 53 N 1.42 5.01 0.41 4.50 2.20 -1.11 -1.42 114.94 125.95 1orq s ASN 53 Ca -0.08 -0.92 0.26 0.00 -0.94 0.00 0.00 52.86 51.18 1orq s ASN 53 Cb -0.11 0.16 1.38 0.00 -2.00 0.00 0.00 41.25 40.69 1orq s ASN 53 CO -0.09 -1.15 1.60 0.10 -2.94 0.00 0.00 177.10 174.62 1orq h TYR 54 N 0.47 0.66 -0.00 1.54 -0.00 -1.47 2.84 116.97 121.01 1orq h TYR 54 Ca -0.34 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.42 1orq h TYR 54 Cb 1.29 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 37.86 1orq h TYR 54 CO 0.60 -0.30 -0.15 -1.13 -0.00 0.00 0.00 178.16 177.18 1orq n SER 55 N -4.91 0.34 0.00 0.10 3.41 -1.26 -4.45 113.62 106.85 1orq n SER 55 Ca 0.38 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1orq n SER 55 Cb 1.37 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 1orq n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1orq n GLY 56 N 1.37 0.57 3.58 5.00 0.00 0.95 -5.04 105.19 111.62 1orq n GLY 56 Ca 0.11 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1orq n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1orq s TYR 57 N -2.00 3.22 0.04 1.61 4.12 -1.26 -4.79 117.35 118.29 1orq s TYR 57 Ca 0.00 0.07 -0.21 0.00 0.02 0.00 0.00 57.07 56.95 1orq s TYR 57 Cb 0.00 -2.35 -0.06 0.00 -1.52 0.00 0.00 41.96 38.03 1orq s TYR 57 CO 0.00 -0.15 0.64 0.95 0.02 0.00 0.00 175.55 177.01 1orq s THR 58 N 1.63 4.78 -0.26 -0.71 -4.23 -1.26 -2.76 115.64 112.83 1orq s THR 58 Ca 0.07 1.35 0.01 0.00 -1.18 0.00 0.00 61.69 61.94 1orq s THR 58 Cb -0.16 -3.98 0.07 0.00 1.34 0.00 0.00 72.50 69.78 1orq s THR 58 CO 0.09 0.45 -0.01 -0.55 -0.54 0.00 0.00 174.62 174.07 1orq s SER 59 N -0.50 3.93 0.56 3.99 0.15 -0.13 -4.98 113.70 116.72 1orq s SER 59 Ca 0.32 -1.36 0.05 0.00 0.70 0.00 0.00 55.95 55.67 1orq s SER 59 Cb -0.19 -1.14 0.06 0.00 -1.71 0.00 0.00 66.02 63.04 1orq s SER 59 CO 0.20 -0.29 0.77 -0.31 1.20 0.00 0.00 173.24 174.80 1orq s TYR 60 N 1.40 2.14 -0.14 3.44 2.02 -1.26 0.52 117.35 125.47 1orq s TYR 60 Ca -0.01 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 1orq s TYR 60 Cb -0.18 -2.53 -0.05 0.00 -0.40 0.00 0.00 41.96 38.80 1orq s TYR 60 CO -0.10 -1.00 0.32 1.21 -1.57 0.00 0.00 175.55 174.41 1orq s ASN 61 N -4.54 6.50 0.30 2.29 3.84 0.16 -4.83 114.94 118.66 1orq s ASN 61 Ca 0.60 0.59 -0.00 0.00 0.21 0.00 0.00 52.86 54.25 1orq s ASN 61 Cb -0.08 -2.20 0.70 0.00 -0.55 0.00 0.00 41.25 39.12 1orq s ASN 61 CO 0.38 0.12 1.57 1.55 -2.79 0.00 0.00 177.10 177.93 1orq h PRO 62 N 6.45 0.00 -1.00 0.43 0.13 -1.95 0.23 132.00 136.29 1orq h PRO 62 Ca -0.43 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 1orq h PRO 62 Cb 1.17 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1orq h PRO 62 CO 0.74 0.00 0.65 0.77 -0.23 0.00 0.00 178.00 179.93 1orq h SER 63 N 0.00 1.09 0.43 1.44 0.02 -1.96 -2.72 113.55 111.85 1orq h SER 63 Ca 0.58 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1orq h SER 63 Cb 1.13 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1orq h SER 63 CO -0.95 0.75 -1.21 0.18 -1.14 0.00 0.00 176.83 174.45 1orq n LEU 64 N -4.44 0.55 -0.17 5.07 4.77 -0.36 -4.61 117.00 117.81 1orq n LEU 64 Ca 0.14 0.02 0.16 0.00 -0.03 0.00 0.00 56.01 56.30 1orq n LEU 64 Cb 0.09 -0.07 0.28 0.00 -2.33 0.00 0.00 43.42 41.40 1orq n LEU 64 CO 0.35 0.00 0.51 1.17 -1.33 0.00 0.00 177.39 178.09 1orq n LYS 65 N -2.12 -0.02 -0.14 3.23 4.81 0.66 0.12 118.16 124.70 1orq n LYS 65 Ca 0.01 0.60 0.10 0.00 -0.87 0.00 0.00 58.31 58.15 1orq n LYS 65 Cb 0.48 -1.12 0.30 0.00 0.02 0.00 0.00 35.03 34.70 1orq n LYS 65 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1orq n SER 66 N -3.84 2.22 0.00 3.14 3.41 -1.26 -4.36 113.62 112.93 1orq n SER 66 Ca 0.18 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1orq n SER 66 Cb 0.63 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1orq n SER 66 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1orq n ARG 67 N 0.69 0.26 -2.56 4.33 1.74 0.33 -4.95 116.66 116.50 1orq n ARG 67 Ca 0.16 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.90 1orq n ARG 67 Cb 0.40 -0.77 -0.04 0.00 -1.02 0.00 0.00 32.46 31.04 1orq n ARG 67 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1orq s ILE 68 N -1.54 3.80 -0.31 0.55 2.07 -0.30 -2.42 121.20 123.05 1orq s ILE 68 Ca 0.00 1.20 0.04 0.00 -1.41 0.00 0.00 60.65 60.48 1orq s ILE 68 Cb 0.00 -3.53 0.17 0.00 0.13 0.00 0.00 42.46 39.23 1orq s ILE 68 CO 0.00 -0.16 0.48 -0.55 -1.91 0.00 0.00 174.94 172.80 1orq s SER 69 N -1.85 -0.32 -0.13 4.50 0.15 -0.61 -4.88 113.70 110.56 1orq s SER 69 Ca 0.64 -0.40 -0.22 0.00 0.70 0.00 0.00 55.95 56.67 1orq s SER 69 Cb -0.18 1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 65.51 1orq s SER 69 CO 0.22 -0.31 0.66 -0.63 1.20 0.00 0.00 173.24 174.38 1orq s ILE 70 N 2.42 5.04 0.40 6.45 1.01 -1.26 -2.65 121.20 132.61 1orq s ILE 70 Ca 0.11 1.31 0.05 0.00 0.00 0.00 0.00 60.65 62.12 1orq s ILE 70 Cb -0.11 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1orq s ILE 70 CO -0.24 0.20 0.19 0.35 0.00 0.00 0.00 174.94 175.44 1orq n THR 71 N 4.14 0.00 -3.81 2.92 -2.24 -0.52 -4.92 114.28 109.85 1orq n THR 71 Ca -0.02 -2.45 -0.09 0.00 -2.27 0.00 0.00 64.05 59.22 1orq n THR 71 Cb 0.51 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 1orq n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1orq s ARG 72 N -3.53 1.49 -0.45 -0.78 1.70 -1.26 0.32 118.95 116.44 1orq s ARG 72 Ca 0.27 -0.96 0.03 0.00 -0.47 0.00 0.00 55.73 54.59 1orq s ARG 72 Cb 0.01 0.53 0.15 0.00 -0.57 0.00 0.00 34.95 35.08 1orq s ARG 72 CO 0.19 -0.64 0.31 0.34 -1.08 0.00 0.00 175.30 174.41 1orq s ASP 73 N -2.91 2.83 0.36 -2.89 2.15 0.78 -4.94 116.67 112.05 1orq s ASP 73 Ca 0.12 -2.87 0.18 0.00 0.43 0.00 0.00 52.55 50.41 1orq s ASP 73 Cb -0.02 -0.76 1.24 0.00 -0.30 0.00 0.00 42.92 43.08 1orq s ASP 73 CO 0.01 -0.21 1.59 0.71 -0.17 0.00 0.00 175.17 177.10 1orq h THR 74 N 4.84 0.05 0.24 1.71 1.35 -1.97 -1.46 112.91 117.68 1orq h THR 74 Ca 0.13 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1orq h THR 74 Cb 0.91 -0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 67.28 1orq h THR 74 CO 0.43 0.01 -0.52 -1.28 -0.25 0.00 0.00 175.52 173.90 1orq h SER 75 N 0.05 -1.53 0.10 5.36 0.87 -1.94 -2.92 113.55 113.55 1orq h SER 75 Ca 0.80 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.51 1orq h SER 75 Cb 2.04 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 64.54 1orq h SER 75 CO -0.76 -0.59 -0.04 0.29 -0.53 0.00 0.00 176.83 175.19 1orq n LYS 76 N -5.48 1.17 -3.09 2.24 5.02 -0.65 -4.96 118.16 112.40 1orq n LYS 76 Ca -0.10 -0.46 -0.07 0.00 -2.02 0.00 0.00 58.31 55.66 1orq n LYS 76 Cb 0.43 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1orq n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1orq n ASN 77 N -0.51 -7.09 -3.64 4.39 5.15 -0.64 -4.85 115.26 108.06 1orq n ASN 77 Ca 0.19 -0.36 -0.08 0.00 -0.60 0.00 0.00 54.58 53.73 1orq n ASN 77 Cb 0.26 -5.12 -0.07 0.00 -0.53 0.00 0.00 39.78 34.32 1orq n ASN 77 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1orq s GLN 78 N -3.63 0.63 0.26 1.20 -2.07 -1.21 -2.26 119.66 112.58 1orq s GLN 78 Ca 0.21 0.90 0.10 0.00 -1.82 0.00 0.00 55.36 54.75 1orq s GLN 78 Cb -0.03 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 1orq s GLN 78 CO 0.72 -0.10 -0.02 -0.59 -1.32 0.00 0.00 175.29 173.98 1orq s PHE 79 N 0.90 2.68 0.19 9.60 -0.71 -0.61 -0.16 117.98 129.87 1orq s PHE 79 Ca -0.04 -0.22 0.04 0.00 -1.04 0.00 0.00 56.93 55.67 1orq s PHE 79 Cb -0.05 -1.19 -0.05 0.00 -1.21 0.00 0.00 43.02 40.52 1orq s PHE 79 CO -0.10 0.62 -0.07 -0.06 -1.34 0.00 0.00 175.22 174.27 1orq s PHE 80 N -2.28 1.43 -0.05 3.49 0.40 0.15 -1.11 117.98 120.02 1orq s PHE 80 Ca 0.31 -0.80 0.04 0.00 -0.60 0.00 0.00 56.93 55.88 1orq s PHE 80 Cb -0.07 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.67 1orq s PHE 80 CO 0.19 0.06 -0.17 -1.17 0.70 0.00 0.00 175.22 174.84 1orq s LEU 81 N -3.24 2.59 -0.04 -0.37 2.96 -0.77 -1.43 118.68 118.38 1orq s LEU 81 Ca 0.22 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1orq s LEU 81 Cb 0.03 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.24 1orq s LEU 81 CO 0.04 0.34 -0.00 -1.58 -1.32 0.00 0.00 176.35 173.82 1orq s GLN 82 N -0.67 0.41 -0.21 1.98 0.74 -1.08 -1.71 119.66 119.11 1orq s GLN 82 Ca 0.10 0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.59 1orq s GLN 82 Cb -0.11 -0.60 0.04 0.00 1.10 0.00 0.00 33.01 33.45 1orq s GLN 82 CO 0.00 -0.15 -0.12 -0.51 -0.55 0.00 0.00 175.29 173.97 1orq s LEU 83 N 1.15 2.53 0.26 3.68 1.43 -0.31 -1.57 118.68 125.84 1orq s LEU 83 Ca -0.08 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 51.75 1orq s LEU 83 Cb -0.13 -1.34 -0.09 0.00 0.03 0.00 0.00 46.19 44.65 1orq s LEU 83 CO -0.02 -0.14 1.09 -1.00 0.23 0.00 0.00 176.35 176.52 1orq s HIS 84 N 1.31 3.60 -0.55 0.29 3.76 -1.01 -0.89 115.29 121.80 1orq s HIS 84 Ca -0.02 1.69 -0.29 0.00 -0.15 0.00 0.00 55.06 56.29 1orq s HIS 84 Cb -0.17 -3.27 0.04 0.00 1.11 0.00 0.00 32.58 30.30 1orq s HIS 84 CO -0.08 -0.52 0.65 -1.13 -0.85 0.00 0.00 174.74 172.81 1orq n SER 85 N 1.36 -5.33 -4.84 1.40 3.41 -1.23 -4.90 113.62 103.49 1orq n SER 85 Ca -0.01 -0.37 -0.30 0.00 -0.26 0.00 0.00 58.87 57.93 1orq n SER 85 Cb 0.45 -1.67 0.08 0.00 -0.26 0.00 0.00 64.21 62.81 1orq n SER 85 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1orq s VAL 86 N -1.88 3.03 0.16 -3.33 -7.23 -1.09 -4.70 120.40 105.37 1orq s VAL 86 Ca 0.28 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1orq s VAL 86 Cb -0.03 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 1orq s VAL 86 CO 0.88 -0.44 0.05 0.42 -0.31 0.00 0.00 175.10 175.70 1orq s THR 87 N -3.28 0.31 0.47 5.32 -4.23 -1.26 -0.52 115.64 112.44 1orq s THR 87 Ca 0.60 -1.95 0.37 0.00 -1.18 0.00 0.00 61.69 59.54 1orq s THR 87 Cb -0.13 -2.16 0.57 0.00 1.34 0.00 0.00 72.50 72.12 1orq s THR 87 CO 0.53 -0.39 1.51 0.41 -0.54 0.00 0.00 174.62 176.14 1orq n THR 88 N -0.18 -0.16 0.16 3.99 -1.04 -1.26 0.16 114.28 115.95 1orq n THR 88 Ca -0.05 1.65 0.02 0.00 -2.04 0.00 0.00 64.05 63.63 1orq n THR 88 Cb 0.64 -2.71 0.26 0.00 -1.82 0.00 0.00 70.33 66.70 1orq n THR 88 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1orq h GLU 89 N 0.00 0.00 0.00 -2.82 5.08 -1.95 -3.01 114.58 111.88 1orq h GLU 89 Ca 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.23 1orq h GLU 89 Cb 3.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.32 1orq h GLU 89 CO -0.30 0.49 0.00 -0.25 -1.00 0.00 0.00 179.01 177.94 1orq n ASP 90 N -3.65 0.00 -4.66 1.42 8.00 0.43 -4.71 116.55 113.38 1orq n ASP 90 Ca -0.01 -0.27 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 1orq n ASP 90 Cb 0.56 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 1orq n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1orq s THR 91 N -2.24 3.78 0.00 -3.53 2.01 -1.14 -4.90 115.64 109.62 1orq s THR 91 Ca 0.20 0.96 -0.00 0.00 0.31 0.00 0.00 61.69 63.17 1orq s THR 91 Cb 0.11 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1orq s THR 91 CO 0.21 -0.08 0.01 0.00 -0.69 0.00 0.00 174.62 174.07 1orq n ALA 92 N 6.84 -0.02 -3.41 7.40 0.00 -0.93 -4.43 120.51 125.96 1orq n ALA 92 Ca 0.16 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.21 1orq n ALA 92 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1orq n ALA 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1orq s THR 93 N -2.66 3.76 0.17 0.00 2.01 0.38 -1.57 115.64 117.74 1orq s THR 93 Ca 0.00 -1.44 -0.21 0.00 0.31 0.00 0.00 61.69 60.36 1orq s THR 93 Cb -0.00 -3.28 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 1orq s THR 93 CO 0.00 -0.39 0.69 -0.31 -0.69 0.00 0.00 174.62 173.92 1orq s TYR 94 N 1.34 3.75 0.04 4.92 1.51 0.40 -0.69 117.35 128.62 1orq s TYR 94 Ca 0.02 1.40 -0.21 0.00 -1.01 0.00 0.00 57.07 57.26 1orq s TYR 94 Cb -0.21 -2.61 0.05 0.00 -0.11 0.00 0.00 41.96 39.07 1orq s TYR 94 CO 0.01 0.45 0.49 -1.54 -1.11 0.00 0.00 175.55 173.84 1orq s SER 95 N -1.41 -0.39 -0.09 2.29 1.04 0.01 0.16 113.70 115.31 1orq s SER 95 Ca 0.38 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.94 1orq s SER 95 Cb -0.19 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1orq s SER 95 CO 0.22 -0.69 -0.02 0.00 0.98 0.00 0.00 173.24 173.73 1orq s THR 97 N -0.79 0.86 -0.23 0.00 -4.23 -0.58 -0.30 115.64 110.37 1orq s THR 97 Ca 0.12 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 1orq s THR 97 Cb -0.11 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.03 1orq s THR 97 CO 0.02 0.00 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.42 1orq s ARG 98 N -3.96 2.97 0.01 3.99 3.52 -0.70 -2.13 118.95 122.65 1orq s ARG 98 Ca 0.37 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 1orq s ARG 98 Cb 0.08 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1orq s ARG 98 CO 0.15 -0.33 0.97 0.20 -0.81 0.00 0.00 175.30 175.47 1orq s GLY 99 N 1.35 2.91 0.00 8.12 0.00 0.58 -2.28 107.32 118.00 1orq s GLY 99 Ca 0.02 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.27 1orq s GLY 99 CO -0.05 1.64 0.00 -0.62 0.00 0.00 0.00 173.10 174.06 1orq n VAL 100 N 3.73 0.00 -2.02 1.40 0.31 0.01 -1.65 118.33 120.11 1orq n VAL 100 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.97 1orq n VAL 100 Cb 0.51 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 1orq n VAL 100 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1orq s ASP 101 N 0.13 6.67 -2.02 4.52 1.11 -1.26 -1.34 116.67 124.47 1orq s ASP 101 Ca 0.00 2.61 0.00 0.00 0.18 0.00 0.00 52.55 55.34 1orq s ASP 101 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1orq s ASP 101 CO 0.00 -0.72 0.00 -1.22 1.18 0.00 0.00 175.17 174.41 1orq n TYR 102 N 2.89 -0.49 -1.66 4.23 0.53 -1.26 -2.83 117.16 118.57 1orq n TYR 102 Ca 0.09 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.76 1orq n TYR 102 Cb 0.40 -3.74 -0.08 0.00 -1.03 0.00 0.00 39.34 34.88 1orq n TYR 102 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1orq n PHE 103 N -3.18 -0.07 -2.31 -0.72 0.99 -0.45 -4.96 117.46 106.76 1orq n PHE 103 Ca -0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.80 1orq n PHE 103 Cb 0.69 -3.53 -0.03 0.00 -1.00 0.00 0.00 39.48 35.61 1orq n PHE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1orq s ALA 104 N -2.79 3.49 -0.38 4.37 0.00 -1.13 -4.49 121.76 120.82 1orq s ALA 104 Ca 0.00 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 1orq s ALA 104 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1orq s ALA 104 CO 0.00 -0.55 0.73 -1.64 0.00 0.00 0.00 175.76 174.29 1orq s MET 105 N 1.22 3.64 -0.13 0.00 1.00 -1.26 -0.81 119.30 122.95 1orq s MET 105 Ca 0.61 0.11 0.16 0.00 0.00 0.00 0.00 55.69 56.57 1orq s MET 105 Cb -0.32 -3.84 -0.24 0.00 0.00 0.00 0.00 34.83 30.42 1orq s MET 105 CO 0.29 -0.87 0.31 -0.40 0.00 0.00 0.00 175.02 174.35 1orq n ASP 106 N 6.34 0.35 -4.09 3.03 3.85 -0.97 -4.85 116.55 120.21 1orq n ASP 106 Ca 0.01 0.17 -0.33 0.00 -0.71 0.00 0.00 54.79 53.93 1orq n ASP 106 Cb 0.48 0.59 -0.14 0.00 -1.35 0.00 0.00 41.12 40.70 1orq n ASP 106 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1orq s TYR 107 N -2.55 3.42 -0.05 2.11 4.12 -1.26 -4.98 117.35 118.17 1orq s TYR 107 Ca -0.08 -2.38 -0.11 0.00 0.02 0.00 0.00 57.07 54.52 1orq s TYR 107 Cb 0.07 -2.35 -0.05 0.00 -1.52 0.00 0.00 41.96 38.11 1orq s TYR 107 CO 0.83 -0.89 0.28 -1.58 0.02 0.00 0.00 175.55 174.21 1orq s TRP 108 N 1.10 3.66 0.87 2.71 0.52 -1.26 -1.72 118.94 124.82 1orq s TRP 108 Ca -0.02 0.76 -0.12 0.00 0.02 0.00 0.00 56.10 56.74 1orq s TRP 108 Cb -0.20 -2.12 0.12 0.00 -1.15 0.00 0.00 33.47 30.12 1orq s TRP 108 CO -0.05 0.69 1.17 0.20 0.02 0.00 0.00 176.95 178.98 1orq s GLY 109 N -1.09 1.59 0.45 0.98 0.00 0.59 -4.77 107.32 105.08 1orq s GLY 109 Ca 0.20 -0.63 0.28 0.00 0.00 0.00 0.00 44.72 44.57 1orq s GLY 109 CO 0.09 -0.09 1.70 1.46 0.00 0.00 0.00 173.10 176.27 1orq h GLN 110 N -1.32 0.17 -0.02 2.90 1.08 -1.90 -3.45 115.11 112.56 1orq h GLN 110 Ca -0.48 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1orq h GLN 110 Cb 1.32 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1orq h GLN 110 CO 0.62 0.11 0.00 0.41 -0.95 0.00 0.00 178.83 179.02 1orq n GLY 111 N -1.57 1.27 3.23 3.46 0.00 -1.26 -5.06 105.19 105.25 1orq n GLY 111 Ca 0.31 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1orq n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orq s ALA 112 N -0.01 2.65 0.31 4.61 0.00 0.41 -4.95 121.76 124.79 1orq s ALA 112 Ca 0.00 -1.27 -0.28 0.00 0.00 0.00 0.00 51.96 50.41 1orq s ALA 112 Cb 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.46 1orq s ALA 112 CO 0.00 -0.53 1.07 0.45 0.00 0.00 0.00 175.76 176.76 1orq s SER 113 N 1.38 7.14 -0.13 0.00 0.15 -1.26 -0.45 113.70 120.53 1orq s SER 113 Ca 0.04 2.18 -0.04 0.00 0.70 0.00 0.00 55.95 58.83 1orq s SER 113 Cb -0.15 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.61 1orq s SER 113 CO -0.06 -0.23 0.18 -0.69 1.20 0.00 0.00 173.24 173.64 1orq s VAL 114 N -1.31 -0.29 -0.16 4.45 1.01 -0.61 -4.53 120.40 118.97 1orq s VAL 114 Ca 0.48 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 1orq s VAL 114 Cb -0.29 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1orq s VAL 114 CO 0.36 0.03 0.09 -0.89 0.00 0.00 0.00 175.10 174.70 1orq s THR 115 N 2.31 5.09 -0.26 3.92 2.01 -0.02 -2.18 115.64 126.51 1orq s THR 115 Ca 0.04 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.03 1orq s THR 115 Cb -0.13 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1orq s THR 115 CO -0.08 0.52 0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 1orq s VAL 116 N -0.20 4.17 -0.17 3.82 1.01 -1.26 -0.60 120.40 127.18 1orq s VAL 116 Ca 0.09 -0.29 -0.33 0.00 0.00 0.00 0.00 61.98 61.45 1orq s VAL 116 Cb -0.12 -2.98 0.14 0.00 0.00 0.00 0.00 36.38 33.42 1orq s VAL 116 CO 0.01 0.30 1.16 -0.55 0.00 0.00 0.00 175.10 176.02 1orq s SER 117 N 1.59 -0.18 0.29 3.32 0.15 -0.23 -4.71 113.70 113.92 1orq s SER 117 Ca 0.06 0.04 0.23 0.00 0.70 0.00 0.00 55.95 56.98 1orq s SER 117 Cb -0.15 0.18 0.20 0.00 -1.71 0.00 0.00 66.02 64.54 1orq s SER 117 CO 0.03 -0.28 1.32 0.28 1.20 0.00 0.00 173.24 175.79 1orq h SER 118 N 2.06 0.00 -2.88 5.45 0.02 -1.96 -3.35 113.55 112.88 1orq h SER 118 Ca -0.12 -0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.23 1orq h SER 118 Cb 1.18 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.83 1orq h SER 118 CO 0.25 0.01 0.30 0.00 -1.14 0.00 0.00 176.83 176.25 1orq n ALA 119 N -2.10 0.48 -1.90 3.77 0.00 -1.26 -4.92 120.51 114.59 1orq n ALA 119 Ca 0.02 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 1orq n ALA 119 Cb 0.53 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.80 1orq n ALA 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1orq s LYS 120 N -1.73 4.76 -0.01 0.00 2.20 -1.26 -4.99 119.74 118.72 1orq s LYS 120 Ca 0.57 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 57.44 1orq s LYS 120 Cb -0.63 -3.29 -0.06 0.00 -1.51 0.00 0.00 37.83 32.34 1orq s LYS 120 CO 0.61 0.36 1.48 -0.08 -0.36 0.00 0.00 175.35 177.36 1orq s THR 121 N -0.82 3.61 0.08 3.43 -1.32 -1.26 -4.80 115.64 114.56 1orq s THR 121 Ca 0.44 0.95 0.09 0.00 -1.21 0.00 0.00 61.69 61.96 1orq s THR 121 Cb -0.27 -3.61 -0.03 0.00 -1.51 0.00 0.00 72.50 67.08 1orq s THR 121 CO 0.33 -0.02 -0.23 0.42 -2.21 0.00 0.00 174.62 172.91 1orq s THR 122 N 2.81 1.87 0.33 5.08 -4.23 0.59 -4.91 115.64 117.18 1orq s THR 122 Ca 0.67 -1.47 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1orq s THR 122 Cb -0.32 -1.65 -0.10 0.00 1.34 0.00 0.00 72.50 71.77 1orq s THR 122 CO 0.27 0.10 0.86 0.00 -0.54 0.00 0.00 174.62 175.31 1orq s ALA 123 N -0.99 3.23 0.35 3.99 0.00 -1.26 -0.95 121.76 126.12 1orq s ALA 123 Ca 0.09 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1orq s ALA 123 Cb -0.10 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1orq s ALA 123 CO 0.04 0.23 0.61 -1.25 0.00 0.00 0.00 175.76 175.39 1orq s PRO 124 N -2.56 3.59 -0.09 0.00 0.04 -1.25 -4.57 135.00 130.15 1orq s PRO 124 Ca 0.53 -0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.57 1orq s PRO 124 Cb -0.14 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 1orq s PRO 124 CO 0.19 0.10 -0.10 -1.12 0.04 0.00 0.00 177.00 176.10 1orq s SER 125 N -3.56 4.33 -0.05 6.66 0.01 -0.99 -4.95 113.70 115.16 1orq s SER 125 Ca 0.44 -0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.60 1orq s SER 125 Cb -0.10 -1.25 -0.01 0.00 0.21 0.00 0.00 66.02 64.87 1orq s SER 125 CO 0.34 0.29 -0.22 0.54 0.41 0.00 0.00 173.24 174.60 1orq s VAL 126 N -0.38 1.82 0.17 3.43 0.11 -1.26 -1.33 120.40 122.97 1orq s VAL 126 Ca 0.05 -0.94 0.11 0.00 -2.93 0.00 0.00 61.98 58.27 1orq s VAL 126 Cb -0.12 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.14 1orq s VAL 126 CO 0.02 0.51 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.75 1orq s TYR 127 N -0.13 2.31 -0.35 1.54 2.02 0.02 -4.97 117.35 117.79 1orq s TYR 127 Ca -0.03 -0.36 -0.22 0.00 -0.37 0.00 0.00 57.07 56.10 1orq s TYR 127 Cb -0.13 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 1orq s TYR 127 CO 0.03 0.45 0.70 -2.14 -1.57 0.00 0.00 175.55 173.02 1orq s PRO 128 N -2.50 3.73 -0.83 -1.71 0.02 -1.26 -1.95 135.00 130.50 1orq s PRO 128 Ca 0.19 0.19 -0.18 0.00 0.02 0.00 0.00 61.00 61.22 1orq s PRO 128 Cb -0.09 -3.80 0.13 0.00 0.02 0.00 0.00 34.50 30.77 1orq s PRO 128 CO 0.09 -0.77 0.98 -0.51 -0.33 0.00 0.00 177.00 176.46 1orq s LEU 129 N 2.86 5.31 -0.17 -5.54 1.43 0.23 -4.99 118.68 117.81 1orq s LEU 129 Ca 0.27 -1.93 -0.13 0.00 -1.03 0.00 0.00 54.13 51.32 1orq s LEU 129 Cb -0.14 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1orq s LEU 129 CO 0.15 -1.04 0.26 0.00 0.23 0.00 0.00 176.35 175.96 1orq s ALA 130 N 2.44 3.61 0.86 4.21 0.00 -1.26 -0.37 121.76 131.24 1orq s ALA 130 Ca 0.26 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 1orq s ALA 130 Cb -0.10 -2.35 -0.15 0.00 0.00 0.00 0.00 23.12 20.52 1orq s ALA 130 CO -0.05 0.10 -0.98 -0.35 0.00 0.00 0.00 175.76 174.49 1orq n PRO 131 N 3.56 0.00 -0.31 0.00 -0.04 -1.26 -4.92 135.00 132.03 1orq n PRO 131 Ca -0.13 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.07 1orq n PRO 131 Cb 0.52 -0.86 0.25 0.00 -0.04 0.00 0.00 33.50 33.38 1orq n PRO 131 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1orq n VAL 132 N -2.52 0.00 -2.66 0.52 0.31 -1.26 -4.82 118.33 107.90 1orq n VAL 132 Ca -0.02 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 1orq n VAL 132 Cb 0.56 -0.85 0.01 0.00 -0.91 0.00 0.00 33.84 32.64 1orq n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1orq n GLY 134 N 1.50 0.71 2.78 0.00 0.00 -1.26 -5.07 105.19 103.85 1orq n GLY 134 Ca 0.37 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1orq n GLY 134 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1orq n ASP 135 N 0.00 5.87 -4.18 1.61 4.64 -1.26 -4.95 116.55 118.28 1orq n ASP 135 Ca 0.00 -3.53 -0.43 0.00 -1.38 0.00 0.00 54.79 49.45 1orq n ASP 135 Cb 0.00 -1.03 0.00 0.00 -1.04 0.00 0.00 41.12 39.05 1orq n ASP 135 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1orq n THR 136 N 0.66 4.00 0.19 5.18 -1.04 -1.26 -4.69 114.28 117.32 1orq n THR 136 Ca 0.33 -4.07 0.03 0.00 -2.04 0.00 0.00 64.05 58.29 1orq n THR 136 Cb 0.34 -2.44 0.36 0.00 -1.82 0.00 0.00 70.33 66.76 1orq n THR 136 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1orq h THR 137 N 4.54 1.23 0.00 12.58 1.35 -1.92 -3.48 112.91 127.20 1orq h THR 137 Ca 0.43 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1orq h THR 137 Cb 0.76 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1orq h THR 137 CO 1.55 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 177.80 1orq n GLY 138 N -0.38 -1.03 0.69 5.82 0.00 -1.26 -4.96 105.19 104.06 1orq n GLY 138 Ca -0.02 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1orq n GLY 138 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1orq n SER 139 N 0.00 2.08 -4.76 1.61 3.41 -1.26 -4.89 113.62 109.81 1orq n SER 139 Ca 0.00 -1.76 -0.31 0.00 -0.26 0.00 0.00 58.87 56.54 1orq n SER 139 Cb 0.00 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 1orq n SER 139 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1orq s SER 140 N -1.63 5.47 -0.05 4.04 0.15 -1.26 -0.72 113.70 119.71 1orq s SER 140 Ca 0.34 0.00 0.01 0.00 0.70 0.00 0.00 55.95 57.00 1orq s SER 140 Cb 0.19 -1.47 0.02 0.00 -1.71 0.00 0.00 66.02 63.05 1orq s SER 140 CO 0.28 0.20 -0.03 -0.69 1.20 0.00 0.00 173.24 174.20 1orq s VAL 141 N -1.32 0.46 -0.06 4.45 1.01 0.23 -4.63 120.40 120.54 1orq s VAL 141 Ca 0.27 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1orq s VAL 141 Cb -0.12 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1orq s VAL 141 CO 0.19 0.22 -0.18 -0.89 0.00 0.00 0.00 175.10 174.44 1orq s THR 142 N 1.10 2.68 0.31 3.92 2.01 -1.26 -0.32 115.64 124.08 1orq s THR 142 Ca -0.08 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1orq s THR 142 Cb -0.14 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.29 1orq s THR 142 CO -0.01 0.58 0.08 -0.76 -0.69 0.00 0.00 174.62 173.81 1orq s LEU 143 N -0.44 1.97 0.24 4.42 1.02 -0.83 -4.34 118.68 120.72 1orq s LEU 143 Ca 0.05 -1.41 -0.17 0.00 0.02 0.00 0.00 54.13 52.62 1orq s LEU 143 Cb -0.12 -0.21 0.01 0.00 0.02 0.00 0.00 46.19 45.89 1orq s LEU 143 CO 0.02 -0.68 0.57 -0.83 0.02 0.00 0.00 176.35 175.45 1orq s GLY 144 N -3.43 0.14 -0.07 -3.19 0.00 0.51 -1.35 107.32 99.92 1orq s GLY 144 Ca 0.36 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.59 1orq s GLY 144 CO 0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 173.10 172.84 1orq s LEU 146 N 1.20 3.47 -0.30 0.00 0.20 -0.82 -0.61 118.68 121.81 1orq s LEU 146 Ca -0.06 -0.54 -0.03 0.00 0.69 0.00 0.00 54.13 54.20 1orq s LEU 146 Cb -0.14 -1.84 0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1orq s LEU 146 CO -0.02 -0.11 0.02 -0.69 -0.29 0.00 0.00 176.35 175.26 1orq s VAL 147 N 1.50 3.18 0.09 1.68 1.01 0.32 -0.80 120.40 127.39 1orq s VAL 147 Ca 0.04 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 60.81 1orq s VAL 147 Cb -0.16 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1orq s VAL 147 CO 0.01 -0.08 -0.16 -1.59 0.00 0.00 0.00 175.10 173.28 1orq s LYS 148 N 1.30 0.95 -0.34 2.72 -2.85 -0.44 0.40 119.74 121.48 1orq s LYS 148 Ca -0.04 -1.09 -0.02 0.00 -1.00 0.00 0.00 55.97 53.82 1orq s LYS 148 Cb -0.19 -0.98 -0.02 0.00 -2.06 0.00 0.00 37.83 34.58 1orq s LYS 148 CO -0.00 0.21 0.29 0.41 0.10 0.00 0.00 175.35 176.36 1orq n GLY 149 N 0.99 0.25 3.28 0.59 0.00 0.12 -2.34 105.19 108.09 1orq n GLY 149 Ca -0.19 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1orq n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1orq s TYR 150 N -3.12 1.38 -0.26 1.61 -0.85 -0.73 -3.97 117.35 111.40 1orq s TYR 150 Ca 0.14 -0.78 -0.23 0.00 -0.52 0.00 0.00 57.07 55.68 1orq s TYR 150 Cb -0.02 -0.72 0.07 0.00 0.38 0.00 0.00 41.96 41.67 1orq s TYR 150 CO 0.24 0.08 0.70 0.12 -1.52 0.00 0.00 175.55 175.17 1orq s PHE 151 N -3.31 -0.80 0.00 -3.49 5.36 -0.13 -0.46 117.98 115.15 1orq s PHE 151 Ca 0.20 1.91 0.00 0.00 -0.96 0.00 0.00 56.93 58.08 1orq s PHE 151 Cb 0.03 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1orq s PHE 151 CO 0.03 -0.39 0.00 -0.35 -1.46 0.00 0.00 175.22 173.05 1orq n PRO 152 N 2.92 1.10 -2.28 10.12 -0.04 -1.26 -0.30 135.00 145.25 1orq n PRO 152 Ca -0.15 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.98 1orq n PRO 152 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 1orq n PRO 152 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1orq s GLU 153 N -1.46 3.51 0.47 0.54 2.56 -1.26 -4.72 118.70 118.35 1orq s GLU 153 Ca 0.00 1.34 0.07 0.00 0.00 0.00 0.00 54.97 56.39 1orq s GLU 153 Cb 0.00 -2.05 0.01 0.00 2.00 0.00 0.00 34.13 34.09 1orq s GLU 153 CO 0.00 -0.67 0.42 -1.25 -0.56 0.00 0.00 175.26 173.20 1orq s PRO 154 N -3.58 2.40 0.06 4.30 0.04 -1.26 -4.78 135.00 132.18 1orq s PRO 154 Ca 0.67 -1.72 0.05 0.00 0.04 0.00 0.00 61.00 60.04 1orq s PRO 154 Cb -0.18 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1orq s PRO 154 CO 0.28 -0.40 -0.15 0.54 0.04 0.00 0.00 177.00 177.31 1orq s VAL 155 N -2.60 1.19 -0.12 -0.36 0.11 -1.26 -4.40 120.40 112.96 1orq s VAL 155 Ca 0.44 -1.19 -0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1orq s VAL 155 Cb -0.03 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1orq s VAL 155 CO 0.26 -0.09 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.94 1orq s THR 156 N -1.05 3.19 -0.04 5.04 2.01 0.11 -4.94 115.64 119.94 1orq s THR 156 Ca 0.01 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1orq s THR 156 Cb -0.09 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1orq s THR 156 CO 0.02 0.53 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.24 1orq s LEU 157 N 0.22 1.13 0.15 4.42 0.20 -1.26 -0.79 118.68 122.76 1orq s LEU 157 Ca -0.08 -0.09 0.02 0.00 0.69 0.00 0.00 54.13 54.68 1orq s LEU 157 Cb -0.15 -0.38 -0.04 0.00 -0.43 0.00 0.00 46.19 45.19 1orq s LEU 157 CO 0.05 -0.10 -0.02 0.42 -0.29 0.00 0.00 176.35 176.41 1orq s THR 158 N 1.15 0.71 -0.21 3.68 -4.23 -0.64 -4.99 115.64 111.12 1orq s THR 158 Ca -0.08 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1orq s THR 158 Cb -0.14 -1.99 -0.00 0.00 1.34 0.00 0.00 72.50 71.71 1orq s THR 158 CO -0.01 -0.60 -0.09 0.26 -0.54 0.00 0.00 174.62 173.64 1orq s TRP 159 N -3.63 2.90 -1.28 3.99 0.52 -1.26 -0.73 118.94 119.45 1orq s TRP 159 Ca 0.20 -1.11 -0.04 0.00 0.02 0.00 0.00 56.10 55.17 1orq s TRP 159 Cb 0.06 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.34 1orq s TRP 159 CO 0.01 -0.60 1.04 0.09 0.02 0.00 0.00 176.95 177.51 1orq n ASN 160 N 4.69 -3.64 0.00 2.95 3.02 0.14 -1.46 115.26 120.96 1orq n ASN 160 Ca -0.19 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1orq n ASN 160 Cb 0.51 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 1orq n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1orq n SER 161 N -3.07 0.00 0.00 6.41 7.64 -1.26 -1.54 113.62 121.80 1orq n SER 161 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1orq n SER 161 Cb 0.62 -2.08 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1orq n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1orq n GLY 162 N -2.00 1.69 0.14 0.23 0.00 -0.54 -4.95 105.19 99.76 1orq n GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1orq n GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1orq n SER 163 N 0.00 0.08 -3.48 1.61 3.41 -0.59 -4.08 113.62 110.57 1orq n SER 163 Ca 0.00 -0.58 -0.20 0.00 -0.26 0.00 0.00 58.87 57.83 1orq n SER 163 Cb 0.00 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 1orq n SER 163 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1orq s LEU 164 N -0.72 -0.02 0.00 1.04 0.20 -1.13 -5.00 118.68 113.05 1orq s LEU 164 Ca 0.00 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.27 1orq s LEU 164 Cb 0.00 0.27 0.00 0.00 -0.43 0.00 0.00 46.19 46.03 1orq s LEU 164 CO 0.00 -0.36 0.04 -1.54 -0.29 0.00 0.00 176.35 174.20 1orq n SER 165 N 5.30 0.08 -4.52 3.68 3.41 -1.26 -4.21 113.62 116.11 1orq n SER 165 Ca -0.05 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.21 1orq n SER 165 Cb 0.48 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 1orq n SER 165 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1orq s SER 166 N -0.01 6.12 0.00 4.04 0.15 -1.26 -3.95 113.70 118.79 1orq s SER 166 Ca 0.00 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1orq s SER 166 Cb 0.00 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1orq s SER 166 CO 0.00 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1orq n GLY 167 N 5.07 1.45 3.54 9.45 0.00 -1.26 -4.69 105.19 118.75 1orq n GLY 167 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1orq n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1orq s VAL 168 N -2.00 3.45 -0.10 1.61 1.01 -1.25 0.15 120.40 123.27 1orq s VAL 168 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1orq s VAL 168 Cb 0.00 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 34.02 1orq s VAL 168 CO 0.00 0.56 0.12 -1.00 0.00 0.00 0.00 175.10 174.78 1orq s HIS 169 N -0.81 -0.03 -0.30 5.22 3.76 0.20 -4.98 115.29 118.35 1orq s HIS 169 Ca 0.13 0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 55.26 1orq s HIS 169 Cb -0.11 -0.44 0.06 0.00 1.11 0.00 0.00 32.58 33.19 1orq s HIS 169 CO 0.02 -0.34 0.00 0.99 -0.85 0.00 0.00 174.74 174.56 1orq s THR 170 N 2.22 2.88 0.33 1.30 2.01 -1.26 -0.29 115.64 122.83 1orq s THR 170 Ca 0.04 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.26 1orq s THR 170 Cb -0.13 -2.70 -0.10 0.00 0.01 0.00 0.00 72.50 69.58 1orq s THR 170 CO -0.06 -0.15 1.28 -0.36 -0.69 0.00 0.00 174.62 174.63 1orq s PHE 171 N 1.22 3.11 0.31 4.92 0.08 -0.81 -4.97 117.98 121.84 1orq s PHE 171 Ca -0.04 1.45 -0.29 0.00 0.12 0.00 0.00 56.93 58.17 1orq s PHE 171 Cb -0.20 -3.63 -0.12 0.00 -0.57 0.00 0.00 43.02 38.50 1orq s PHE 171 CO -0.02 -1.69 1.41 -2.30 -0.10 0.00 0.00 175.22 172.52 1orq n PRO 172 N 0.83 2.29 -1.86 0.24 -0.02 -1.26 -4.30 135.00 130.93 1orq n PRO 172 Ca -0.00 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 1orq n PRO 172 Cb 0.42 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1orq n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1orq s ALA 173 N -0.61 3.67 -0.12 3.55 0.00 -1.26 -4.87 121.76 122.12 1orq s ALA 173 Ca 0.60 1.50 -0.03 0.00 0.00 0.00 0.00 51.96 54.03 1orq s ALA 173 Cb -0.56 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 1orq s ALA 173 CO 0.56 -0.92 -0.02 -1.17 0.00 0.00 0.00 175.76 174.21 1orq s LEU 174 N -0.89 3.40 -0.21 0.00 0.20 -0.54 -4.93 118.68 115.72 1orq s LEU 174 Ca 0.59 0.00 -0.14 0.00 0.69 0.00 0.00 54.13 55.27 1orq s LEU 174 Cb -0.46 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 1orq s LEU 174 CO 0.50 0.28 0.33 -0.22 -0.29 0.00 0.00 176.35 176.95 1orq s LEU 175 N -0.27 4.14 0.00 -0.68 0.20 -1.26 -2.08 118.68 118.72 1orq s LEU 175 Ca 0.05 0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.27 1orq s LEU 175 Cb -0.12 -2.40 0.00 0.00 -0.43 0.00 0.00 46.19 43.23 1orq s LEU 175 CO 0.02 -0.04 0.00 0.00 -0.29 0.00 0.00 176.35 176.04 1orq n GLN 176 N 4.45 0.00 0.00 1.98 6.02 -0.47 -5.01 117.38 124.36 1orq n GLN 176 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1orq n GLN 176 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 1orq n GLN 176 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1orq n SER 177 N 0.00 0.00 -1.59 1.08 7.64 -1.26 -4.79 113.62 114.70 1orq n SER 177 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1orq n SER 177 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 1orq n SER 177 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1orq n ASP 178 N -0.55 2.11 -3.84 6.43 5.68 -1.26 -5.03 116.55 120.09 1orq n ASP 178 Ca 0.00 -2.94 -0.12 0.00 -0.50 0.00 0.00 54.79 51.23 1orq n ASP 178 Cb 0.00 -0.41 -0.13 0.00 -1.14 0.00 0.00 41.12 39.44 1orq n ASP 178 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1orq s LEU 179 N -2.45 1.64 0.20 -2.12 1.43 -1.26 -4.72 118.68 111.40 1orq s LEU 179 Ca 0.37 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 1orq s LEU 179 Cb 0.37 0.34 -0.04 0.00 0.03 0.00 0.00 46.19 46.90 1orq s LEU 179 CO -0.07 -0.05 0.20 -0.31 0.23 0.00 0.00 176.35 176.34 1orq s TYR 180 N -0.04 3.22 0.01 0.29 1.51 0.39 -1.36 117.35 121.36 1orq s TYR 180 Ca -0.01 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1orq s TYR 180 Cb -0.01 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.33 1orq s TYR 180 CO 0.00 0.51 -0.04 0.99 -1.11 0.00 0.00 175.55 175.90 1orq s THR 181 N -1.89 0.29 -0.09 -0.71 2.01 -0.88 0.11 115.64 114.48 1orq s THR 181 Ca 0.32 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 61.81 1orq s THR 181 Cb -0.09 -0.28 0.04 0.00 0.01 0.00 0.00 72.50 72.17 1orq s THR 181 CO 0.25 -0.04 0.43 -0.22 -0.69 0.00 0.00 174.62 174.35 1orq s LEU 182 N -0.40 0.37 0.25 4.42 0.20 0.16 -1.46 118.68 122.22 1orq s LEU 182 Ca -0.02 0.54 0.01 0.00 0.69 0.00 0.00 54.13 55.36 1orq s LEU 182 Cb -0.03 1.58 -0.05 0.00 -0.43 0.00 0.00 46.19 47.26 1orq s LEU 182 CO -0.00 -0.34 0.08 -0.94 -0.29 0.00 0.00 176.35 174.86 1orq s SER 183 N -0.62 1.17 -0.18 3.68 1.04 -1.26 0.12 113.70 117.65 1orq s SER 183 Ca -0.07 -1.36 -0.11 0.00 0.48 0.00 0.00 55.95 54.90 1orq s SER 183 Cb -0.03 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.31 1orq s SER 183 CO 0.04 -0.71 0.44 -0.55 0.98 0.00 0.00 173.24 173.43 1orq s SER 184 N -3.29 -0.55 0.18 7.02 0.15 0.22 -1.92 113.70 115.52 1orq s SER 184 Ca 0.36 0.95 0.06 0.00 0.70 0.00 0.00 55.95 58.02 1orq s SER 184 Cb 0.08 0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 65.19 1orq s SER 184 CO 0.12 -0.19 0.08 -0.94 1.20 0.00 0.00 173.24 173.51 1orq s SER 185 N 1.27 5.15 -0.18 5.45 1.04 0.60 -0.50 113.70 126.52 1orq s SER 185 Ca -0.08 -0.29 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 1orq s SER 185 Cb -0.07 -1.22 0.08 0.00 0.10 0.00 0.00 66.02 64.90 1orq s SER 185 CO -0.12 0.06 0.40 0.54 0.98 0.00 0.00 173.24 175.10 1orq s VAL 186 N -1.83 -0.48 -0.23 5.02 0.11 -0.46 -0.63 120.40 121.92 1orq s VAL 186 Ca 0.30 0.16 -0.07 0.00 -2.93 0.00 0.00 61.98 59.44 1orq s VAL 186 Cb -0.09 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 1orq s VAL 186 CO 0.21 0.07 0.05 -0.89 -3.33 0.00 0.00 175.10 171.22 1orq s THR 187 N 2.31 4.30 0.09 5.04 2.01 0.41 -1.96 115.64 127.83 1orq s THR 187 Ca -0.03 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1orq s THR 187 Cb -0.11 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1orq s THR 187 CO -0.12 0.37 0.02 1.33 -0.69 0.00 0.00 174.62 175.53 1orq n VAL 188 N 4.59 0.00 -3.76 3.82 0.24 0.57 -4.55 118.33 119.25 1orq n VAL 188 Ca -0.16 -0.39 -0.37 0.00 -2.04 0.00 0.00 64.34 61.38 1orq n VAL 188 Cb 0.52 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.73 1orq n VAL 188 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1orq s THR 189 N -1.02 5.39 0.31 3.34 2.01 -1.26 -0.60 115.64 123.80 1orq s THR 189 Ca 0.02 0.35 0.21 0.00 0.31 0.00 0.00 61.69 62.58 1orq s THR 189 Cb -0.00 -3.49 0.33 0.00 0.01 0.00 0.00 72.50 69.35 1orq s THR 189 CO 0.01 0.57 1.17 -1.20 -0.69 0.00 0.00 174.62 174.48 1orq n SER 190 N 2.32 0.20 0.09 3.53 7.64 0.11 0.37 113.62 127.87 1orq n SER 190 Ca -0.18 1.12 -0.00 0.00 1.01 0.00 0.00 58.87 60.83 1orq n SER 190 Cb 0.54 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 1orq n SER 190 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1orq h ASN 191 N 0.00 0.00 -0.68 6.43 -1.07 -1.93 -3.33 115.58 115.00 1orq h ASN 191 Ca 0.65 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.96 1orq h ASN 191 Cb 1.93 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 38.15 1orq h ASN 191 CO -0.45 0.63 0.19 0.74 0.07 0.00 0.00 177.43 178.61 1orq h THR 192 N 0.00 1.26 -3.96 6.14 2.02 0.62 -3.40 112.91 115.59 1orq h THR 192 Ca -0.07 -0.92 -0.35 0.00 0.77 0.00 0.00 66.41 65.84 1orq h THR 192 Cb 1.54 0.52 -0.22 0.00 -1.74 0.00 0.00 68.15 68.26 1orq h THR 192 CO 0.07 0.36 -0.76 0.86 0.37 0.00 0.00 175.52 176.42 1orq s TRP 193 N -5.32 0.94 -1.65 3.16 -0.00 -0.94 -2.47 118.94 112.65 1orq s TRP 193 Ca -0.12 -0.46 0.04 0.00 -0.00 0.00 0.00 56.10 55.56 1orq s TRP 193 Cb 0.15 -0.54 0.13 0.00 -0.00 0.00 0.00 33.47 33.21 1orq s TRP 193 CO 0.84 -0.01 0.99 -0.35 -0.00 0.00 0.00 176.95 178.41 1orq n PRO 194 N 1.44 1.44 0.02 5.86 -0.04 -1.26 -4.64 135.00 137.82 1orq n PRO 194 Ca -0.22 -0.52 -0.05 0.00 -0.04 0.00 0.00 63.50 62.68 1orq n PRO 194 Cb 0.54 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 1orq n PRO 194 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1orq h SER 195 N 0.78 -0.52 -3.48 3.54 0.02 -1.77 -3.40 113.55 108.71 1orq h SER 195 Ca 0.00 0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.47 1orq h SER 195 Cb 0.36 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1orq h SER 195 CO 0.03 -0.17 0.02 -1.10 -1.14 0.00 0.00 176.83 174.46 1orq s GLN 196 N -3.87 4.09 0.17 3.45 -1.52 -1.03 -5.05 119.66 115.90 1orq s GLN 196 Ca -0.05 0.66 -0.30 0.00 -1.95 0.00 0.00 55.36 53.72 1orq s GLN 196 Cb 0.02 -2.83 -0.07 0.00 -0.22 0.00 0.00 33.01 29.90 1orq s GLN 196 CO 0.19 0.40 0.97 -1.12 -0.25 0.00 0.00 175.29 175.48 1orq s SER 197 N -1.79 7.53 -0.08 5.90 0.01 -1.26 -4.60 113.70 119.40 1orq s SER 197 Ca 0.42 1.89 0.04 0.00 1.31 0.00 0.00 55.95 59.61 1orq s SER 197 Cb -0.15 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 1orq s SER 197 CO 0.20 0.00 -0.22 -0.63 0.41 0.00 0.00 173.24 173.00 1orq s ILE 198 N -0.47 2.34 0.03 1.44 1.01 -1.26 -5.01 121.20 119.27 1orq s ILE 198 Ca 0.45 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1orq s ILE 198 Cb -0.25 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1orq s ILE 198 CO 0.31 0.56 -0.10 -0.89 0.00 0.00 0.00 174.94 174.82 1orq s THR 199 N 0.01 0.81 -0.22 2.92 2.01 -1.26 -2.64 115.64 117.27 1orq s THR 199 Ca -0.08 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 1orq s THR 199 Cb -0.15 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1orq s THR 199 CO 0.05 -0.07 0.29 0.00 -0.69 0.00 0.00 174.62 174.20 1orq s ASN 201 N 1.07 5.06 0.19 0.00 0.01 0.10 0.73 114.94 122.09 1orq s ASN 201 Ca 0.13 -1.91 0.07 0.00 -0.71 0.00 0.00 52.86 50.44 1orq s ASN 201 Cb -0.14 -1.75 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 1orq s ASN 201 CO 0.06 -0.45 0.04 0.54 -1.51 0.00 0.00 177.10 175.78 1orq s VAL 202 N 1.10 3.86 -0.22 1.60 0.11 -0.18 -1.62 120.40 125.05 1orq s VAL 202 Ca 0.06 -1.44 -0.12 0.00 -2.93 0.00 0.00 61.98 57.55 1orq s VAL 202 Cb -0.21 -2.97 0.07 0.00 -1.53 0.00 0.00 36.38 31.73 1orq s VAL 202 CO -0.05 -0.17 0.53 0.00 -3.33 0.00 0.00 175.10 172.09 1orq s ALA 203 N -1.85 -1.41 -0.48 1.54 0.00 0.03 -1.35 121.76 118.25 1orq s ALA 203 Ca 0.29 1.92 0.04 0.00 0.00 0.00 0.00 51.96 54.21 1orq s ALA 203 Cb -0.09 -1.15 0.13 0.00 0.00 0.00 0.00 23.12 22.01 1orq s ALA 203 CO 0.20 -0.31 0.22 -1.58 0.00 0.00 0.00 175.76 174.29 1orq s HIS 204 N 1.50 3.17 0.09 0.00 2.46 0.38 0.03 115.29 122.92 1orq s HIS 204 Ca -0.10 -3.08 -0.18 0.00 0.47 0.00 0.00 55.06 52.18 1orq s HIS 204 Cb -0.07 -2.76 -0.05 0.00 -0.13 0.00 0.00 32.58 29.58 1orq s HIS 204 CO -0.16 -0.78 1.30 -1.35 -2.47 0.00 0.00 174.74 171.29 1orq h PRO 205 N 6.71 -0.06 -0.91 2.88 0.11 -1.77 -1.05 132.00 137.92 1orq h PRO 205 Ca -0.07 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.29 1orq h PRO 205 Cb 0.92 0.01 -0.16 0.00 0.11 0.00 0.00 31.00 31.88 1orq h PRO 205 CO 0.64 -0.04 0.11 0.00 -0.21 0.00 0.00 178.00 178.51 1orq h ALA 206 N -0.27 1.16 -0.14 -0.75 0.00 -1.91 1.55 119.26 118.90 1orq h ALA 206 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1orq h ALA 206 Cb 0.26 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1orq h ALA 206 CO -0.48 -0.52 0.00 -1.13 0.00 0.00 0.00 179.25 177.12 1orq n SER 207 N -5.37 1.42 -3.85 0.00 3.41 -0.97 -4.90 113.62 103.37 1orq n SER 207 Ca 0.21 -1.67 -0.28 0.00 -0.26 0.00 0.00 58.87 56.87 1orq n SER 207 Cb 0.70 -0.09 0.03 0.00 -0.26 0.00 0.00 64.21 64.59 1orq n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1orq n SER 208 N 0.16 -4.60 -4.49 4.04 7.64 0.53 -4.90 113.62 112.00 1orq n SER 208 Ca 0.16 -0.75 -0.34 0.00 1.01 0.00 0.00 58.87 58.95 1orq n SER 208 Cb 0.29 -4.07 -0.12 0.00 -1.01 0.00 0.00 64.21 59.30 1orq n SER 208 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1orq s THR 209 N -3.35 3.84 -0.04 0.44 2.01 -0.51 -4.97 115.64 113.07 1orq s THR 209 Ca 0.58 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1orq s THR 209 Cb -0.28 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1orq s THR 209 CO 0.81 0.49 0.03 -0.75 -0.69 0.00 0.00 174.62 174.52 1orq s LYS 210 N 0.37 0.10 -0.13 4.92 2.20 -1.26 0.14 119.74 126.08 1orq s LYS 210 Ca -0.04 0.23 -0.09 0.00 -0.36 0.00 0.00 55.97 55.71 1orq s LYS 210 Cb -0.14 -0.50 0.04 0.00 -1.51 0.00 0.00 37.83 35.72 1orq s LYS 210 CO 0.03 -0.25 0.32 0.14 -0.36 0.00 0.00 175.35 175.23 1orq s VAL 211 N 1.64 -0.02 -0.35 4.02 -7.23 -0.46 -5.01 120.40 113.00 1orq s VAL 211 Ca -0.02 0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.16 1orq s VAL 211 Cb -0.13 -0.47 0.05 0.00 0.56 0.00 0.00 36.38 36.39 1orq s VAL 211 CO -0.03 0.03 0.12 -1.81 -0.31 0.00 0.00 175.10 173.10 1orq s ASP 212 N 0.86 5.34 -0.32 4.85 1.01 -1.26 -1.01 116.67 126.14 1orq s ASP 212 Ca -0.06 -1.22 -0.09 0.00 0.71 0.00 0.00 52.55 51.90 1orq s ASP 212 Cb -0.07 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 41.99 1orq s ASP 212 CO -0.06 -0.36 0.13 -0.75 0.21 0.00 0.00 175.17 174.35 1orq s LYS 213 N 1.39 3.14 0.01 8.23 2.47 0.22 -4.91 119.74 130.29 1orq s LYS 213 Ca -0.01 -0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 53.26 1orq s LYS 213 Cb -0.20 -3.52 -0.04 0.00 -1.46 0.00 0.00 37.83 32.61 1orq s LYS 213 CO 0.02 -0.48 1.14 0.21 0.16 0.00 0.00 175.35 176.40 1orq s LYS 214 N 1.56 4.44 -0.96 4.03 2.20 -1.26 -1.35 119.74 128.39 1orq s LYS 214 Ca 0.03 1.64 -0.20 0.00 -0.36 0.00 0.00 55.97 57.08 1orq s LYS 214 Cb -0.18 -3.44 0.10 0.00 -1.51 0.00 0.00 37.83 32.81 1orq s LYS 214 CO 0.05 -0.27 1.24 0.42 -0.36 0.00 0.00 175.35 176.43 1orq s ILE 215 N 1.42 4.45 -0.05 5.43 1.09 -1.08 -4.93 121.20 127.54 1orq s ILE 215 Ca 0.56 -1.30 -0.04 0.00 -1.10 0.00 0.00 60.65 58.78 1orq s ILE 215 Cb -0.26 -4.88 -0.04 0.00 -1.06 0.00 0.00 42.46 36.23 1orq s ILE 215 CO 0.26 -1.66 0.14 0.68 -0.10 0.00 0.00 174.94 174.27 1orq s VAL 216 N 3.47 5.26 0.56 2.92 -7.23 -1.26 -4.76 120.40 119.36 1orq s VAL 216 Ca 0.37 -0.10 -0.16 0.00 -1.81 0.00 0.00 61.98 60.28 1orq s VAL 216 Cb -0.03 -3.38 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 1orq s VAL 216 CO -0.10 0.44 1.04 -2.16 -0.31 0.00 0.00 175.10 174.01 1orq s PRO 217 N -1.56 3.53 0.00 4.82 0.04 -1.26 -4.76 135.00 135.81 1orq s PRO 217 Ca 0.22 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1orq s PRO 217 Cb -0.12 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1orq s PRO 217 CO 0.12 -0.63 0.00 0.54 0.04 0.00 0.00 177.00 177.07 1orq n ARG 218 N -1.83 1.51 0.00 4.56 1.74 -1.26 -5.15 116.66 116.23 1orq n ARG 218 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1orq n ARG 218 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1orq n ARG 218 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71