#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xfd s SER 3 N 0.00 3.44 -0.08 6.41 0.15 -1.26 -1.32 113.70 121.04 2xfd s SER 3 Ca 0.00 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.20 2xfd s SER 3 Cb 0.00 -1.42 0.02 0.00 -1.71 0.00 0.00 66.02 62.91 2xfd s SER 3 CO 0.00 0.17 -0.09 -0.63 1.20 0.00 0.00 173.24 173.89 2xfd s ILE 4 N 0.27 1.00 -0.15 6.45 1.01 -0.23 -0.94 121.20 128.61 2xfd s ILE 4 Ca -0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2xfd s ILE 4 Cb -0.17 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 2xfd s ILE 4 CO 0.07 0.34 -0.08 -0.89 0.00 0.00 0.00 174.94 174.38 2xfd s THR 5 N 1.03 3.44 -0.19 2.92 2.01 -0.14 -1.07 115.64 123.63 2xfd s THR 5 Ca -0.08 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.33 2xfd s THR 5 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 2xfd s THR 5 CO -0.01 0.50 0.06 -0.69 -0.69 0.00 0.00 174.62 173.79 2xfd s VAL 6 N 0.48 4.65 -0.30 3.82 1.01 0.80 -0.35 120.40 130.50 2xfd s VAL 6 Ca -0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2xfd s VAL 6 Cb -0.15 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2xfd s VAL 6 CO 0.04 0.44 0.09 -0.60 0.00 0.00 0.00 175.10 175.06 2xfd s ARG 7 N 0.62 3.09 0.22 2.72 3.52 -0.39 -0.88 118.95 127.85 2xfd s ARG 7 Ca 0.03 -0.86 -0.18 0.00 -0.13 0.00 0.00 55.73 54.58 2xfd s ARG 7 Cb -0.13 -3.41 0.03 0.00 -1.56 0.00 0.00 34.95 29.88 2xfd s ARG 7 CO 0.02 -0.46 0.57 0.00 -0.81 0.00 0.00 175.30 174.62 2xfd s ALA 8 N 1.51 -0.98 0.09 6.12 0.00 -0.90 -0.63 121.76 126.97 2xfd s ALA 8 Ca 0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.65 2xfd s ALA 8 Cb -0.17 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 2xfd s ALA 8 CO 0.03 -0.87 0.16 -0.98 0.00 0.00 0.00 175.76 174.10 2xfd s ARG 9 N -3.89 0.83 0.47 0.00 1.70 -0.23 -2.24 118.95 115.59 2xfd s ARG 9 Ca 0.11 -1.03 0.08 0.00 -0.47 0.00 0.00 55.73 54.42 2xfd s ARG 9 Cb -0.02 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.71 2xfd s ARG 9 CO 0.00 -0.25 0.60 0.20 -1.08 0.00 0.00 175.30 174.77 2xfd s GLY 10 N -2.88 1.93 -0.10 3.88 0.00 0.29 -1.04 107.32 109.39 2xfd s GLY 10 Ca 0.07 -1.82 0.11 0.00 0.00 0.00 0.00 44.72 43.07 2xfd s GLY 10 CO -0.10 -1.59 0.45 3.33 0.00 0.00 0.00 173.10 175.19 2xfd n VAL 11 N -1.92 1.58 0.14 1.40 0.24 -0.70 -4.15 118.33 114.92 2xfd n VAL 11 Ca 0.09 -0.78 0.02 0.00 -2.04 0.00 0.00 64.34 61.63 2xfd n VAL 11 Cb 0.60 -1.03 -0.00 0.00 -1.47 0.00 0.00 33.84 31.94 2xfd n VAL 11 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2xfd n ASN 12 N -3.05 0.72 0.00 -1.34 6.94 -1.26 -4.88 115.26 112.39 2xfd n ASN 12 Ca -0.24 -0.86 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 2xfd n ASN 12 Cb 1.07 0.49 0.00 0.00 -2.36 0.00 0.00 39.78 38.98 2xfd n ASN 12 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xfd n GLY 13 N 0.63 0.75 0.31 4.83 0.00 -1.26 -4.89 105.19 105.55 2xfd n GLY 13 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2xfd n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xfd n GLN 14 N -2.33 1.82 -2.19 1.61 6.02 -1.26 -4.68 117.38 116.36 2xfd n GLN 14 Ca 0.00 -0.70 -0.39 0.00 -0.01 0.00 0.00 57.00 55.89 2xfd n GLN 14 Cb 0.00 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 2xfd n GLN 14 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2xfd s GLU 15 N -1.81 4.16 -0.11 -1.09 8.01 -1.26 -4.85 118.70 121.74 2xfd s GLU 15 Ca 0.12 2.03 0.01 0.00 0.01 0.00 0.00 54.97 57.13 2xfd s GLU 15 Cb 0.12 -2.85 -0.02 0.00 -4.31 0.00 0.00 34.13 27.07 2xfd s GLU 15 CO 0.38 -0.29 -0.14 0.45 0.01 0.00 0.00 175.26 175.67 2xfd s SER 16 N -0.83 3.96 0.15 -0.19 0.15 -1.26 -0.88 113.70 114.81 2xfd s SER 16 Ca 0.54 -0.31 0.09 0.00 0.70 0.00 0.00 55.95 56.97 2xfd s SER 16 Cb -0.35 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 2xfd s SER 16 CO 0.46 0.21 -0.21 0.68 1.20 0.00 0.00 173.24 175.57 2xfd s VAL 17 N 0.10 1.95 -0.08 4.45 -7.23 -0.52 -2.39 120.40 116.67 2xfd s VAL 17 Ca -0.06 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2xfd s VAL 17 Cb -0.15 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2xfd s VAL 17 CO 0.05 -0.16 -0.21 -0.44 -0.31 0.00 0.00 175.10 174.03 2xfd s SER 18 N -2.38 2.77 -0.22 4.85 0.01 0.18 -1.15 113.70 117.76 2xfd s SER 18 Ca 0.14 -0.49 -0.23 0.00 1.31 0.00 0.00 55.95 56.68 2xfd s SER 18 Cb -0.08 -1.13 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 2xfd s SER 18 CO 0.07 0.15 0.74 -0.22 0.41 0.00 0.00 173.24 174.39 2xfd s LEU 19 N 0.28 4.12 0.04 2.44 2.96 -0.16 -1.01 118.68 127.35 2xfd s LEU 19 Ca -0.14 0.96 0.09 0.00 -0.22 0.00 0.00 54.13 54.82 2xfd s LEU 19 Cb -0.16 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 2xfd s LEU 19 CO 0.07 -0.40 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.34 2xfd s GLN 20 N 2.38 1.71 -0.12 1.98 -0.21 0.02 -0.14 119.66 125.28 2xfd s GLN 20 Ca 0.33 -1.07 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 2xfd s GLN 20 Cb -0.16 -1.87 0.03 0.00 1.00 0.00 0.00 33.01 32.02 2xfd s GLN 20 CO 0.09 0.48 -0.03 0.08 -2.12 0.00 0.00 175.29 173.80 2xfd s VAL 21 N -0.80 0.72 -1.94 1.09 1.01 -0.00 -0.94 120.40 119.54 2xfd s VAL 21 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2xfd s VAL 21 Cb -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.40 2xfd s VAL 21 CO 0.02 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2xfd n GLY 22 N 5.02 1.30 1.26 4.51 0.00 -0.08 -1.41 105.19 115.79 2xfd n GLY 22 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2xfd n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xfd n GLY 23 N -0.72 1.38 3.70 -0.02 0.00 -1.26 -4.97 105.19 103.30 2xfd n GLY 23 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2xfd n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xfd s THR 24 N -2.39 4.95 -0.23 2.61 2.01 -0.50 -5.02 115.64 117.07 2xfd s THR 24 Ca 0.00 1.65 -0.29 0.00 0.31 0.00 0.00 61.69 63.36 2xfd s THR 24 Cb 0.00 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 2xfd s THR 24 CO 0.00 0.16 1.45 -0.89 -0.69 0.00 0.00 174.62 174.65 2xfd s THR 25 N 1.30 3.94 -0.02 -0.82 2.01 -1.26 -0.82 115.64 119.95 2xfd s THR 25 Ca 0.41 1.07 -0.18 0.00 0.31 0.00 0.00 61.69 63.31 2xfd s THR 25 Cb -0.18 -3.90 -0.33 0.00 0.01 0.00 0.00 72.50 68.11 2xfd s THR 25 CO 0.19 -0.32 0.88 0.58 -0.69 0.00 0.00 174.62 175.26 2xfd h VAL 26 N 5.94 1.32 -1.89 3.82 2.07 -0.90 -3.49 116.25 123.12 2xfd h VAL 26 Ca -0.30 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 64.61 2xfd h VAL 26 Cb 1.13 3.05 -0.20 0.00 -1.52 0.00 0.00 31.29 33.75 2xfd h VAL 26 CO 1.00 0.76 0.26 -1.58 0.02 0.00 0.00 177.57 178.04 2xfd s GLN 27 N -2.51 0.90 0.09 1.57 2.00 -1.18 -5.02 119.66 115.51 2xfd s GLN 27 Ca -0.13 0.38 0.09 0.00 -2.00 0.00 0.00 55.36 53.70 2xfd s GLN 27 Cb 0.03 0.43 -0.04 0.00 0.80 0.00 0.00 33.01 34.23 2xfd s GLN 27 CO 0.87 -0.25 -0.20 0.95 -0.50 0.00 0.00 175.29 176.16 2xfd s THR 28 N -0.84 2.69 0.02 -0.34 -4.23 -1.26 -0.99 115.64 110.69 2xfd s THR 28 Ca -0.07 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2xfd s THR 28 Cb -0.01 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 2xfd s THR 28 CO 0.06 0.18 -0.05 0.26 -0.54 0.00 0.00 174.62 174.54 2xfd s TRP 29 N -1.04 0.40 -0.05 3.99 0.51 -0.30 -5.01 118.94 117.43 2xfd s TRP 29 Ca 0.16 -0.35 -0.18 0.00 -2.12 0.00 0.00 56.10 53.62 2xfd s TRP 29 Cb -0.10 -0.26 -0.05 0.00 -0.81 0.00 0.00 33.47 32.25 2xfd s TRP 29 CO 0.08 -0.09 0.49 0.99 -0.51 0.00 0.00 176.95 177.91 2xfd s THR 30 N -0.93 5.05 0.37 2.01 2.01 -1.26 -1.44 115.64 121.46 2xfd s THR 30 Ca -0.08 1.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.89 2xfd s THR 30 Cb -0.07 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2xfd s THR 30 CO -0.00 0.43 0.64 -0.76 -0.69 0.00 0.00 174.62 174.23 2xfd s LEU 31 N -0.11 3.90 0.00 4.42 1.43 -0.05 -5.00 118.68 123.26 2xfd s LEU 31 Ca 0.27 0.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 2xfd s LEU 31 Cb -0.16 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.51 2xfd s LEU 31 CO 0.13 -0.36 0.50 0.35 0.23 0.00 0.00 176.35 177.21 2xfd n THR 32 N -1.64 0.00 1.51 5.49 -2.24 -1.26 -4.31 114.28 111.83 2xfd n THR 32 Ca -0.02 -1.33 0.10 0.00 -2.27 0.00 0.00 64.05 60.54 2xfd n THR 32 Cb 0.55 -0.60 0.45 0.00 -2.10 0.00 0.00 70.33 68.63 2xfd n THR 32 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2xfd n THR 33 N -1.79 0.13 -4.30 4.28 -2.24 -1.26 -0.55 114.28 108.55 2xfd n THR 33 Ca 0.09 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.42 2xfd n THR 33 Cb 0.41 0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.66 2xfd n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xfd s ALA 34 N -1.87 1.88 0.24 6.98 0.00 -1.26 -4.78 121.76 122.94 2xfd s ALA 34 Ca 0.31 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.63 2xfd s ALA 34 Cb 0.16 -0.22 -0.12 0.00 0.00 0.00 0.00 23.12 22.93 2xfd s ALA 34 CO 0.25 0.32 1.60 -1.33 0.00 0.00 0.00 175.76 176.60 2xfd n MET 35 N 0.81 2.53 -3.96 0.00 0.00 -1.26 -4.52 117.12 110.72 2xfd n MET 35 Ca -0.17 0.91 -0.09 0.00 0.00 0.00 0.00 57.70 58.35 2xfd n MET 35 Cb 0.55 -2.69 -0.08 0.00 0.00 0.00 0.00 33.22 31.00 2xfd n MET 35 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2xfd s GLN 36 N 0.25 0.90 -0.06 0.03 -1.52 -0.95 -4.94 119.66 113.37 2xfd s GLN 36 Ca 0.70 -1.11 -0.12 0.00 -1.95 0.00 0.00 55.36 52.88 2xfd s GLN 36 Cb -0.55 0.32 -0.05 0.00 -0.22 0.00 0.00 33.01 32.51 2xfd s GLN 36 CO 0.42 -0.28 0.31 -0.51 -0.25 0.00 0.00 175.29 174.98 2xfd s ASP 37 N -2.92 6.62 -0.09 5.90 1.01 -1.26 -2.12 116.67 123.82 2xfd s ASP 37 Ca 0.11 0.74 -0.00 0.00 0.71 0.00 0.00 52.55 54.11 2xfd s ASP 37 Cb 0.05 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.82 2xfd s ASP 37 CO -0.07 0.30 -0.06 -0.31 0.21 0.00 0.00 175.17 175.25 2xfd s TYR 38 N -0.76 1.18 -0.03 4.23 2.02 -0.06 -4.97 117.35 118.97 2xfd s TYR 38 Ca 0.20 -0.50 0.07 0.00 -0.37 0.00 0.00 57.07 56.47 2xfd s TYR 38 Cb -0.15 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.37 2xfd s TYR 38 CO 0.09 -0.39 -0.23 0.99 -1.57 0.00 0.00 175.55 174.44 2xfd s THR 39 N 1.52 1.81 0.08 -0.71 2.01 -1.26 -0.14 115.64 118.94 2xfd s THR 39 Ca 0.00 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 2xfd s THR 39 Cb -0.13 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2xfd s THR 39 CO -0.05 0.51 0.07 0.00 -0.69 0.00 0.00 174.62 174.46 2xfd s ALA 40 N -0.41 0.34 0.13 7.40 0.00 -0.23 -5.01 121.76 123.98 2xfd s ALA 40 Ca 0.05 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 51.01 2xfd s ALA 40 Cb -0.10 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2xfd s ALA 40 CO 0.00 -0.45 -0.11 -1.54 0.00 0.00 0.00 175.76 173.66 2xfd s SER 41 N -2.93 4.25 -0.10 0.00 1.04 -1.26 -1.06 113.70 113.64 2xfd s SER 41 Ca 0.10 -0.48 -0.25 0.00 0.48 0.00 0.00 55.95 55.80 2xfd s SER 41 Cb 0.07 -0.74 0.06 0.00 0.10 0.00 0.00 66.02 65.50 2xfd s SER 41 CO -0.07 0.15 0.59 0.28 0.98 0.00 0.00 173.24 175.17 2xfd s THR 42 N -1.36 0.01 -2.51 2.02 -1.32 -0.43 -4.98 115.64 107.07 2xfd s THR 42 Ca 0.22 -0.09 0.23 0.00 -1.21 0.00 0.00 61.69 60.84 2xfd s THR 42 Cb -0.10 -0.88 0.41 0.00 -1.51 0.00 0.00 72.50 70.42 2xfd s THR 42 CO 0.14 -0.05 1.41 -1.20 -2.21 0.00 0.00 174.62 172.70 2xfd n SER 43 N 1.53 3.27 -4.79 8.08 7.64 -1.26 -0.18 113.62 127.91 2xfd n SER 43 Ca -0.18 -1.97 -0.33 0.00 1.01 0.00 0.00 58.87 57.40 2xfd n SER 43 Cb 0.56 -0.22 0.03 0.00 -1.01 0.00 0.00 64.21 63.57 2xfd n SER 43 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2xfd s LEU 44 N -1.54 3.46 0.00 -3.43 1.43 -1.26 -4.92 118.68 112.43 2xfd s LEU 44 Ca 0.38 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 2xfd s LEU 44 Cb 0.22 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.90 2xfd s LEU 44 CO 0.31 -1.39 0.25 0.35 0.23 0.00 0.00 176.35 176.10 2xfd n THR 45 N -2.18 0.00 -0.07 5.49 -2.24 -1.26 -4.87 114.28 109.15 2xfd n THR 45 Ca 0.10 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2xfd n THR 45 Cb 0.52 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 2xfd n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xfd n GLY 46 N 0.13 -0.62 3.70 3.38 0.00 -1.26 -2.48 105.19 108.04 2xfd n GLY 46 Ca 0.00 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2xfd n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xfd s GLU 47 N 0.11 4.28 -0.08 1.61 2.12 -1.26 -1.58 118.70 123.89 2xfd s GLU 47 Ca 0.00 2.12 -0.21 0.00 0.36 0.00 0.00 54.97 57.25 2xfd s GLU 47 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2xfd s GLU 47 CO 0.00 -0.54 0.58 0.42 -0.54 0.00 0.00 175.26 175.18 2xfd s ILE 48 N 1.69 5.10 0.05 -3.70 1.01 0.03 -0.90 121.20 124.48 2xfd s ILE 48 Ca 0.67 1.19 0.06 0.00 0.00 0.00 0.00 60.65 62.56 2xfd s ILE 48 Cb -0.37 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 2xfd s ILE 48 CO 0.30 0.31 -0.16 -0.13 0.00 0.00 0.00 174.94 175.26 2xfd s ARG 49 N 0.60 1.01 -0.26 2.79 0.52 -0.12 -0.70 118.95 122.80 2xfd s ARG 49 Ca 0.31 -0.84 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 2xfd s ARG 49 Cb -0.17 -1.06 0.02 0.00 0.52 0.00 0.00 34.95 34.26 2xfd s ARG 49 CO 0.14 0.26 -0.01 0.08 0.02 0.00 0.00 175.30 175.79 2xfd s VAL 50 N -0.91 3.29 -0.09 3.52 1.01 -0.59 -0.80 120.40 125.83 2xfd s VAL 50 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2xfd s VAL 50 Cb -0.08 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2xfd s VAL 50 CO 0.02 0.19 -0.12 0.00 0.00 0.00 0.00 175.10 175.19 2xfd s ALA 51 N 1.40 2.70 -0.19 5.51 0.00 -0.18 -1.38 121.76 129.63 2xfd s ALA 51 Ca 0.02 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 2xfd s ALA 51 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2xfd s ALA 51 CO -0.02 0.42 0.33 0.12 0.00 0.00 0.00 175.76 176.60 2xfd s PHE 52 N -0.25 3.41 0.00 0.00 5.36 0.14 -0.65 117.98 126.00 2xfd s PHE 52 Ca 0.02 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.56 2xfd s PHE 52 Cb -0.13 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 2xfd s PHE 52 CO 0.03 0.11 0.00 0.25 -1.46 0.00 0.00 175.22 174.15 2xfd n THR 53 N 3.98 0.00 -2.28 0.12 -2.24 -1.01 -2.32 114.28 110.54 2xfd n THR 53 Ca -0.11 -0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 61.10 2xfd n THR 53 Cb 0.52 0.97 0.03 0.00 -2.10 0.00 0.00 70.33 69.74 2xfd n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2xfd n ASN 54 N -0.89 3.88 -4.57 3.42 6.94 -1.26 -5.00 115.26 117.77 2xfd n ASN 54 Ca 0.00 -3.21 -0.41 0.00 -0.02 0.00 0.00 54.58 50.94 2xfd n ASN 54 Cb 0.00 -0.38 0.02 0.00 -2.36 0.00 0.00 39.78 37.05 2xfd n ASN 54 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2xfd n ASP 55 N -0.67 0.66 -3.54 0.53 2.03 -1.26 -4.87 116.55 109.43 2xfd n ASP 55 Ca 0.32 0.96 -0.02 0.00 0.52 0.00 0.00 54.79 56.57 2xfd n ASP 55 Cb 0.91 -1.31 0.01 0.00 -0.72 0.00 0.00 41.12 40.02 2xfd n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xfd s ALA 56 N -1.38 -1.80 0.11 -1.67 0.00 -1.26 -4.99 121.76 110.77 2xfd s ALA 56 Ca 0.66 -0.05 -0.36 0.00 0.00 0.00 0.00 51.96 52.20 2xfd s ALA 56 Cb -0.54 0.70 -0.16 0.00 0.00 0.00 0.00 23.12 23.12 2xfd s ALA 56 CO 0.55 -1.07 1.38 2.41 0.00 0.00 0.00 175.76 179.03 2xfd n THR 57 N -0.65 0.08 -0.55 0.00 -1.04 -1.26 -1.75 114.28 109.11 2xfd n THR 57 Ca -0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2xfd n THR 57 Cb 0.60 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 2xfd n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2xfd n GLY 58 N 2.65 1.64 3.44 3.41 0.00 -1.26 -5.01 105.19 110.06 2xfd n GLY 58 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2xfd n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xfd s ARG 59 N -0.09 3.56 0.07 1.61 0.52 -0.72 -4.01 118.95 119.90 2xfd s ARG 59 Ca 0.00 -0.58 -0.16 0.00 -0.52 0.00 0.00 55.73 54.47 2xfd s ARG 59 Cb 0.00 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.64 2xfd s ARG 59 CO 0.00 0.17 0.38 -0.51 0.02 0.00 0.00 175.30 175.36 2xfd s ASP 60 N 0.52 -0.22 -0.03 0.23 -0.00 -1.26 -4.44 116.67 111.47 2xfd s ASP 60 Ca -0.05 -0.17 0.07 0.00 -0.00 0.00 0.00 52.55 52.40 2xfd s ASP 60 Cb -0.15 0.43 -0.02 0.00 -0.00 0.00 0.00 42.92 43.18 2xfd s ASP 60 CO 0.03 -0.72 -0.23 -0.69 -0.00 0.00 0.00 175.17 173.55 2xfd s VAL 61 N -3.01 1.86 -0.21 -1.27 1.01 -0.29 -1.72 120.40 116.77 2xfd s VAL 61 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2xfd s VAL 61 Cb 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.85 2xfd s VAL 61 CO -0.06 0.53 -0.14 -1.58 0.00 0.00 0.00 175.10 173.85 2xfd s GLN 62 N -0.45 2.89 -0.29 2.72 0.74 -0.21 -0.41 119.66 124.65 2xfd s GLN 62 Ca 0.06 -0.91 -0.10 0.00 0.05 0.00 0.00 55.36 54.46 2xfd s GLN 62 Cb -0.10 -2.76 -0.02 0.00 1.10 0.00 0.00 33.01 31.22 2xfd s GLN 62 CO 0.00 -0.30 0.15 0.08 -0.55 0.00 0.00 175.29 174.67 2xfd s VAL 63 N 1.29 4.76 -0.02 1.34 1.01 0.55 -1.07 120.40 128.26 2xfd s VAL 63 Ca 0.02 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 2xfd s VAL 63 Cb -0.15 -3.35 -0.16 0.00 0.00 0.00 0.00 36.38 32.72 2xfd s VAL 63 CO -0.09 0.16 1.06 -0.78 0.00 0.00 0.00 175.10 175.45 2xfd h ASP 64 N 8.34 -0.27 -5.44 3.32 1.82 -1.16 -3.41 116.42 119.62 2xfd h ASP 64 Ca -0.34 -0.25 0.23 0.00 -0.39 0.00 0.00 57.03 56.27 2xfd h ASP 64 Cb 1.16 0.07 -0.10 0.00 0.68 0.00 0.00 39.33 41.15 2xfd h ASP 64 CO 0.60 0.18 0.61 -0.72 -1.61 0.00 0.00 179.24 178.29 2xfd s TYR 65 N -4.08 -0.11 0.33 0.28 -0.85 -1.22 -2.11 117.35 109.60 2xfd s TYR 65 Ca -0.13 -0.12 0.09 0.00 -0.52 0.00 0.00 57.07 56.38 2xfd s TYR 65 Cb 0.01 0.60 -0.06 0.00 0.38 0.00 0.00 41.96 42.89 2xfd s TYR 65 CO 0.51 -0.63 -0.09 0.96 -1.52 0.00 0.00 175.55 174.78 2xfd s ILE 66 N -2.98 2.15 -0.11 -3.49 -4.36 -0.65 -1.26 121.20 110.50 2xfd s ILE 66 Ca 0.13 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 2xfd s ILE 66 Cb 0.01 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.12 2xfd s ILE 66 CO -0.00 -0.22 -0.14 -0.69 0.24 0.00 0.00 174.94 174.13 2xfd s VAL 67 N -2.67 1.38 -0.29 8.37 1.01 0.53 -0.32 120.40 128.40 2xfd s VAL 67 Ca 0.32 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2xfd s VAL 67 Cb 0.03 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 35.18 2xfd s VAL 67 CO 0.16 0.42 -0.03 -0.69 0.00 0.00 0.00 175.10 174.96 2xfd s VAL 68 N 1.09 2.60 -1.58 2.92 1.01 -0.04 -0.97 120.40 125.42 2xfd s VAL 68 Ca -0.05 -1.62 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 2xfd s VAL 68 Cb -0.14 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.77 2xfd s VAL 68 CO -0.03 -0.15 0.71 0.59 0.00 0.00 0.00 175.10 176.23 2xfd n ASN 69 N 4.51 -2.68 0.00 3.32 3.02 -0.12 -1.21 115.26 122.10 2xfd n ASN 69 Ca -0.11 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 2xfd n ASN 69 Cb 0.43 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 2xfd n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xfd n GLY 70 N -1.62 1.34 3.57 7.41 0.00 -1.26 -5.03 105.19 109.59 2xfd n GLY 70 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2xfd n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2xfd s GLN 71 N -0.49 3.75 0.10 1.61 0.74 -0.35 -5.06 119.66 119.96 2xfd s GLN 71 Ca 0.00 -0.28 -0.31 0.00 0.05 0.00 0.00 55.36 54.82 2xfd s GLN 71 Cb 0.00 -3.74 -0.07 0.00 1.10 0.00 0.00 33.01 30.30 2xfd s GLN 71 CO 0.00 -0.40 1.22 0.99 -0.55 0.00 0.00 175.29 176.56 2xfd s THR 72 N 1.98 3.82 -0.26 -0.34 2.01 -1.26 -0.86 115.64 120.72 2xfd s THR 72 Ca 0.12 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.49 2xfd s THR 72 Cb -0.16 -3.87 0.07 0.00 0.01 0.00 0.00 72.50 68.55 2xfd s THR 72 CO 0.11 0.13 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.01 2xfd s ARG 73 N 0.74 1.65 0.27 4.92 0.52 0.56 -4.99 118.95 122.63 2xfd s ARG 73 Ca 0.58 -1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 2xfd s ARG 73 Cb -0.31 -2.69 -0.10 0.00 0.52 0.00 0.00 34.95 32.37 2xfd s ARG 73 CO 0.31 -0.67 1.33 -0.65 0.02 0.00 0.00 175.30 175.64 2xfd s GLN 74 N 1.28 4.36 0.24 3.54 -1.52 -1.26 -1.64 119.66 124.66 2xfd s GLN 74 Ca -0.03 2.17 -0.06 0.00 -1.95 0.00 0.00 55.36 55.49 2xfd s GLN 74 Cb -0.19 -3.12 0.28 0.00 -0.22 0.00 0.00 33.01 29.76 2xfd s GLN 74 CO -0.08 -0.25 1.89 0.00 -0.25 0.00 0.00 175.29 176.61 2xfd h ALA 75 N 4.43 1.21 0.00 6.09 0.00 -1.65 -1.78 119.26 127.55 2xfd h ALA 75 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2xfd h ALA 75 Cb 1.22 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2xfd h ALA 75 CO 0.72 0.48 0.00 -0.85 0.00 0.00 0.00 179.25 179.60 2xfd n GLU 76 N -4.50 0.10 -0.05 0.00 0.00 -1.26 -1.88 120.64 113.06 2xfd n GLU 76 Ca 0.12 0.35 0.12 0.00 0.00 0.00 0.00 57.16 57.75 2xfd n GLU 76 Cb 0.08 -1.69 0.43 0.00 0.00 0.00 0.00 31.44 30.25 2xfd n GLU 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2xfd n ASN 77 N -1.88 1.67 -4.73 -1.84 3.02 -0.67 -4.19 115.26 106.63 2xfd n ASN 77 Ca 0.03 -1.64 -0.36 0.00 -0.03 0.00 0.00 54.58 52.58 2xfd n ASN 77 Cb 0.19 -0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.23 2xfd n ASN 77 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2xfd s GLN 78 N -1.87 4.25 0.37 3.52 -1.52 -0.79 -4.96 119.66 118.65 2xfd s GLN 78 Ca 0.35 0.05 0.13 0.00 -1.95 0.00 0.00 55.36 53.94 2xfd s GLN 78 Cb 0.19 -3.43 0.70 0.00 -0.22 0.00 0.00 33.01 30.26 2xfd s GLN 78 CO 0.29 0.24 1.81 0.77 -0.25 0.00 0.00 175.29 178.15 2xfd h SER 79 N 6.70 0.00 -3.59 5.90 0.02 -1.88 -0.35 113.55 120.36 2xfd h SER 79 Ca -0.41 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.87 2xfd h SER 79 Cb 1.16 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.44 2xfd h SER 79 CO 0.76 0.39 -0.64 -0.69 -1.14 0.00 0.00 176.83 175.51 2xfd s VAL 80 N -4.10 3.91 -0.26 2.27 1.01 -1.26 -4.09 120.40 117.88 2xfd s VAL 80 Ca -0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 2xfd s VAL 80 Cb 0.14 -2.98 0.11 0.00 0.00 0.00 0.00 36.38 33.65 2xfd s VAL 80 CO 0.72 0.14 0.19 0.21 0.00 0.00 0.00 175.10 176.36 2xfd s ASN 81 N 1.50 2.42 0.00 3.32 3.84 -1.26 -1.78 114.94 122.98 2xfd s ASN 81 Ca 0.03 -0.85 0.27 0.00 0.21 0.00 0.00 52.86 52.52 2xfd s ASN 81 Cb -0.17 0.07 0.93 0.00 -0.55 0.00 0.00 41.25 41.53 2xfd s ASN 81 CO 0.02 -0.39 1.68 0.35 -2.79 0.00 0.00 177.10 175.97 2xfd n THR 82 N 5.29 0.00 0.15 -5.21 -2.24 0.18 -4.13 114.28 108.32 2xfd n THR 82 Ca -0.05 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.77 2xfd n THR 82 Cb 0.46 0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 2xfd n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xfd n GLY 83 N 1.37 -0.85 3.77 3.38 0.00 -1.26 -2.73 105.19 108.87 2xfd n GLY 83 Ca 0.11 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2xfd n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xfd s VAL 84 N -3.22 2.30 -0.40 1.61 0.11 -1.21 -0.78 120.40 118.81 2xfd s VAL 84 Ca -0.05 0.29 -0.24 0.00 -2.93 0.00 0.00 61.98 59.06 2xfd s VAL 84 Cb 0.13 -3.19 0.02 0.00 -1.53 0.00 0.00 36.38 31.81 2xfd s VAL 84 CO 0.79 0.06 0.83 0.86 -3.33 0.00 0.00 175.10 174.31 2xfd s TRP 85 N -0.81 3.05 -0.18 1.54 -0.11 -1.26 0.19 118.94 121.35 2xfd s TRP 85 Ca 0.54 0.46 -0.16 0.00 1.22 0.00 0.00 56.10 58.17 2xfd s TRP 85 Cb -0.44 -3.59 0.05 0.00 -1.50 0.00 0.00 33.47 27.98 2xfd s TRP 85 CO 0.56 -0.87 0.47 0.00 -4.62 0.00 0.00 176.95 172.49 2xfd s ALA 86 N 3.31 -1.18 -1.39 5.86 0.00 -0.63 -4.87 121.76 122.86 2xfd s ALA 86 Ca 0.33 1.39 -0.08 0.00 0.00 0.00 0.00 51.96 53.60 2xfd s ALA 86 Cb -0.12 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.22 2xfd s ALA 86 CO 0.20 -0.23 1.01 -1.71 0.00 0.00 0.00 175.76 175.03 2xfd n ASN 87 N 3.04 -4.42 -2.41 0.00 4.05 -1.26 -2.14 115.26 112.12 2xfd n ASN 87 Ca -0.15 -0.68 -0.17 0.00 0.45 0.00 0.00 54.58 54.04 2xfd n ASN 87 Cb 0.57 -4.49 -0.01 0.00 1.23 0.00 0.00 39.78 37.08 2xfd n ASN 87 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2xfd n ASN 88 N -2.98 -4.94 -3.49 1.20 4.13 -1.26 -4.92 115.26 103.00 2xfd n ASN 88 Ca -0.07 0.09 -0.11 0.00 1.68 0.00 0.00 54.58 56.17 2xfd n ASN 88 Cb 0.58 -4.15 -0.02 0.00 -1.54 0.00 0.00 39.78 34.65 2xfd n ASN 88 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2xfd s GLN 89 N -5.02 1.28 0.15 3.52 -2.07 -0.91 -5.09 119.66 111.53 2xfd s GLN 89 Ca 0.00 -0.55 -0.30 0.00 -1.82 0.00 0.00 55.36 52.69 2xfd s GLN 89 Cb 0.00 0.57 -0.08 0.00 -1.09 0.00 0.00 33.01 32.41 2xfd s GLN 89 CO 0.00 -0.56 1.27 0.00 -1.32 0.00 0.00 175.29 174.69 2xfd n GLY 91 N 2.71 0.68 0.03 0.00 0.00 0.13 -4.89 105.19 103.85 2xfd n GLY 91 Ca 0.07 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.52 2xfd n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xfd n GLY 92 N -1.74 -1.20 3.07 -0.02 0.00 -1.10 -4.81 105.19 99.40 2xfd n GLY 92 Ca -0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2xfd n GLY 92 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xfd n SER 93 N -1.68 -1.63 -0.84 1.61 2.88 -1.26 -4.70 113.62 108.00 2xfd n SER 93 Ca 0.04 -2.47 0.00 0.00 -1.33 0.00 0.00 58.87 55.11 2xfd n SER 93 Cb 0.23 2.82 0.00 0.00 -0.75 0.00 0.00 64.21 66.51 2xfd n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2xfd n GLY 94 N -0.47 4.73 3.50 0.46 0.00 -1.26 -4.45 105.19 107.71 2xfd n GLY 94 Ca -0.04 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 2xfd n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xfd n ASN 95 N -0.72 -5.17 -3.87 1.61 4.13 -0.14 -4.95 115.26 106.15 2xfd n ASN 95 Ca 0.00 -0.86 -0.11 0.00 1.68 0.00 0.00 54.58 55.29 2xfd n ASN 95 Cb 0.00 -4.26 -0.11 0.00 -1.54 0.00 0.00 39.78 33.87 2xfd n ASN 95 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2xfd s SER 96 N -3.59 -0.01 0.52 6.41 0.15 -1.26 -4.76 113.70 111.16 2xfd s SER 96 Ca 0.39 -0.08 0.33 0.00 0.70 0.00 0.00 55.95 57.29 2xfd s SER 96 Cb -0.10 0.22 1.37 0.00 -1.71 0.00 0.00 66.02 65.80 2xfd s SER 96 CO 0.80 -0.25 1.97 -0.33 1.20 0.00 0.00 173.24 176.63 2xfd h GLU 97 N 4.88 0.00 -5.97 5.44 5.08 -1.81 -3.36 114.58 118.85 2xfd h GLU 97 Ca -0.29 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.45 2xfd h GLU 97 Cb 1.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2xfd h GLU 97 CO 0.41 0.00 -0.28 -1.58 -1.00 0.00 0.00 179.01 176.56 2xfd s TRP 98 N -3.64 3.65 -0.32 4.33 0.52 -1.26 -0.33 118.94 121.88 2xfd s TRP 98 Ca 0.01 0.81 0.03 0.00 0.02 0.00 0.00 56.10 56.97 2xfd s TRP 98 Cb 0.09 -2.16 0.09 0.00 -1.15 0.00 0.00 33.47 30.35 2xfd s TRP 98 CO 0.52 0.62 0.02 -0.51 0.02 0.00 0.00 176.95 177.62 2xfd s LEU 99 N -1.41 4.21 -0.09 2.99 1.43 0.45 -3.32 118.68 122.94 2xfd s LEU 99 Ca 0.26 -1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 51.30 2xfd s LEU 99 Cb -0.15 -1.53 -0.28 0.00 0.03 0.00 0.00 46.19 44.27 2xfd s LEU 99 CO 0.14 -0.34 0.52 0.45 0.23 0.00 0.00 176.35 177.35 2xfd h HIS 100 N 7.70 0.54 -1.93 0.29 3.86 -1.36 -0.76 115.15 123.48 2xfd h HIS 100 Ca -0.08 -0.39 -0.45 0.00 -1.16 0.00 0.00 60.37 58.29 2xfd h HIS 100 Cb 1.03 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2xfd h HIS 100 CO 0.48 1.67 -0.37 0.00 0.86 0.00 0.00 177.93 180.57 2xfd n ASN 102 N -1.56 2.45 0.00 0.00 3.02 -1.26 -4.53 115.26 113.38 2xfd n ASN 102 Ca -0.03 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 2xfd n ASN 102 Cb 0.58 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 2xfd n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xfd n GLY 103 N 1.89 -1.63 3.18 7.41 0.00 -0.98 -4.49 105.19 110.58 2xfd n GLY 103 Ca 0.11 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 2xfd n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2xfd s TYR 104 N -2.68 0.30 -0.17 1.61 1.13 -1.26 -0.68 117.35 115.59 2xfd s TYR 104 Ca 0.00 -0.76 -0.06 0.00 -1.41 0.00 0.00 57.07 54.84 2xfd s TYR 104 Cb 0.00 -0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 40.65 2xfd s TYR 104 CO 0.00 -0.50 0.02 0.42 -2.51 0.00 0.00 175.55 172.97 2xfd s ILE 105 N -3.89 4.34 -0.15 -3.49 1.01 -0.48 -0.64 121.20 117.89 2xfd s ILE 105 Ca 0.07 -0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 2xfd s ILE 105 Cb 0.06 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 2xfd s ILE 105 CO -0.10 0.47 0.27 -0.55 0.00 0.00 0.00 174.94 175.04 2xfd s SER 106 N 0.45 6.43 -0.10 3.58 0.15 -0.74 -1.54 113.70 121.93 2xfd s SER 106 Ca -0.00 0.50 0.14 0.00 0.70 0.00 0.00 55.95 57.29 2xfd s SER 106 Cb -0.13 -2.17 0.43 0.00 -1.71 0.00 0.00 66.02 62.44 2xfd s SER 106 CO 0.02 0.13 1.35 0.49 1.20 0.00 0.00 173.24 176.43 2xfd n PHE 107 N 3.41 0.73 -0.63 3.44 3.01 0.13 -4.65 117.46 122.90 2xfd n PHE 107 Ca -0.13 -0.72 0.02 0.00 1.01 0.00 0.00 57.45 57.63 2xfd n PHE 107 Cb 0.52 -0.19 -0.00 0.00 -0.01 0.00 0.00 39.48 39.79 2xfd n PHE 107 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xfd n GLY 108 N -0.10 -2.20 3.78 1.37 0.00 -1.26 -4.81 105.19 101.97 2xfd n GLY 108 Ca 0.17 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 2xfd n GLY 108 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2xfd s ASN 109 N -2.75 5.40 0.00 1.61 0.02 -1.26 -0.79 114.94 117.17 2xfd s ASN 109 Ca 0.00 1.98 0.00 0.00 -1.02 0.00 0.00 52.86 53.82 2xfd s ASN 109 Cb 0.00 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.72 2xfd s ASN 109 CO 0.00 -1.43 0.33 0.52 0.02 0.00 0.00 177.10 176.54