#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xfe s SER 3 N 0.00 6.61 -0.12 6.41 0.01 -1.26 -1.73 113.70 123.61 2xfe s SER 3 Ca 0.00 0.72 -0.01 0.00 1.31 0.00 0.00 55.95 57.97 2xfe s SER 3 Cb 0.00 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 64.03 2xfe s SER 3 CO 0.00 0.12 -0.04 -0.63 0.41 0.00 0.00 173.24 173.10 2xfe s ILE 4 N 0.14 0.84 -0.17 1.44 1.01 -0.44 -0.03 121.20 123.98 2xfe s ILE 4 Ca 0.22 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 2xfe s ILE 4 Cb -0.15 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2xfe s ILE 4 CO 0.08 0.23 0.01 -0.89 0.00 0.00 0.00 174.94 174.37 2xfe s THR 5 N 1.77 4.29 -0.19 2.92 2.01 0.54 -1.00 115.64 125.98 2xfe s THR 5 Ca 0.03 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 2xfe s THR 5 Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 2xfe s THR 5 CO -0.07 0.48 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.59 2xfe s VAL 6 N 0.36 3.37 -0.32 3.82 1.01 0.12 -0.42 120.40 128.34 2xfe s VAL 6 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 2xfe s VAL 6 Cb -0.13 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2xfe s VAL 6 CO 0.02 0.45 0.14 -0.60 0.00 0.00 0.00 175.10 175.11 2xfe s ARG 7 N 1.09 3.10 0.15 2.72 3.52 -0.52 -0.23 118.95 128.79 2xfe s ARG 7 Ca 0.01 -0.87 -0.20 0.00 -0.13 0.00 0.00 55.73 54.54 2xfe s ARG 7 Cb -0.15 -3.53 0.06 0.00 -1.56 0.00 0.00 34.95 29.77 2xfe s ARG 7 CO -0.01 -0.50 0.53 0.00 -0.81 0.00 0.00 175.30 174.51 2xfe s ALA 8 N 1.55 -1.36 0.08 6.12 0.00 -0.78 -0.43 121.76 126.93 2xfe s ALA 8 Ca 0.03 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 2xfe s ALA 8 Cb -0.18 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.77 2xfe s ALA 8 CO 0.05 -0.73 0.23 -0.98 0.00 0.00 0.00 175.76 174.34 2xfe s ARG 9 N -3.77 0.85 0.42 0.00 1.70 -0.01 -2.42 118.95 115.72 2xfe s ARG 9 Ca 0.02 -0.82 0.08 0.00 -0.47 0.00 0.00 55.73 54.53 2xfe s ARG 9 Cb -0.00 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 2xfe s ARG 9 CO -0.13 -0.28 0.37 0.20 -1.08 0.00 0.00 175.30 174.39 2xfe s GLY 10 N -2.65 2.16 0.06 3.88 0.00 0.12 -1.26 107.32 109.64 2xfe s GLY 10 Ca 0.02 -1.88 -0.02 0.00 0.00 0.00 0.00 44.72 42.83 2xfe s GLY 10 CO -0.09 -1.73 1.07 -2.08 0.00 0.00 0.00 173.10 170.27 2xfe h VAL 11 N 1.04 1.42 0.00 1.40 2.07 -1.68 -3.36 116.25 117.13 2xfe h VAL 11 Ca -0.41 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.08 2xfe h VAL 11 Cb 1.27 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 2xfe h VAL 11 CO 0.58 0.87 0.00 -0.46 0.02 0.00 0.00 177.57 178.58 2xfe n ASN 12 N -3.48 0.52 -0.22 0.57 6.94 -1.26 -4.88 115.26 113.46 2xfe n ASN 12 Ca -0.10 -0.77 -0.03 0.00 -0.02 0.00 0.00 54.58 53.66 2xfe n ASN 12 Cb 1.02 0.37 -0.01 0.00 -2.36 0.00 0.00 39.78 38.80 2xfe n ASN 12 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xfe n GLY 13 N 0.37 0.60 0.23 4.83 0.00 -1.26 -4.87 105.19 105.10 2xfe n GLY 13 Ca 0.00 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.28 2xfe n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xfe n GLN 14 N -2.84 1.90 -2.24 1.61 6.02 -1.26 -4.64 117.38 115.92 2xfe n GLN 14 Ca -0.03 -0.51 -0.41 0.00 -0.01 0.00 0.00 57.00 56.04 2xfe n GLN 14 Cb 0.10 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 2xfe n GLN 14 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2xfe s GLU 15 N -2.02 4.45 -0.11 -1.09 8.01 -1.26 -4.81 118.70 121.87 2xfe s GLU 15 Ca 0.10 2.06 0.02 0.00 0.01 0.00 0.00 54.97 57.16 2xfe s GLU 15 Cb 0.12 -3.13 -0.01 0.00 -4.31 0.00 0.00 34.13 26.79 2xfe s GLU 15 CO 0.46 -0.09 -0.17 0.45 0.01 0.00 0.00 175.26 175.92 2xfe s SER 16 N -0.41 3.71 0.08 -0.19 0.15 -1.26 -0.73 113.70 115.06 2xfe s SER 16 Ca 0.49 -0.39 0.08 0.00 0.70 0.00 0.00 55.95 56.83 2xfe s SER 16 Cb -0.37 -1.47 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 2xfe s SER 16 CO 0.46 0.18 -0.21 0.68 1.20 0.00 0.00 173.24 175.55 2xfe s VAL 17 N 0.25 1.72 -0.08 4.45 -7.23 -0.53 -2.25 120.40 116.72 2xfe s VAL 17 Ca -0.12 -1.43 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 2xfe s VAL 17 Cb -0.16 -1.53 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 2xfe s VAL 17 CO 0.06 0.04 -0.24 -0.44 -0.31 0.00 0.00 175.10 174.21 2xfe s SER 18 N -1.66 3.04 -0.22 4.85 0.01 0.19 -0.85 113.70 119.06 2xfe s SER 18 Ca 0.07 -0.54 -0.20 0.00 1.31 0.00 0.00 55.95 56.60 2xfe s SER 18 Cb -0.10 -1.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.91 2xfe s SER 18 CO 0.03 0.18 0.59 -0.22 0.41 0.00 0.00 173.24 174.24 2xfe s LEU 19 N 0.18 4.11 -0.03 2.44 2.96 0.31 -0.76 118.68 127.90 2xfe s LEU 19 Ca -0.14 0.73 0.08 0.00 -0.22 0.00 0.00 54.13 54.58 2xfe s LEU 19 Cb -0.16 -2.81 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 2xfe s LEU 19 CO 0.07 -0.28 -0.26 -1.10 -1.32 0.00 0.00 176.35 173.46 2xfe s GLN 20 N 2.06 2.17 -0.12 1.98 -0.21 0.16 -0.27 119.66 125.44 2xfe s GLN 20 Ca 0.26 -0.92 -0.01 0.00 0.02 0.00 0.00 55.36 54.71 2xfe s GLN 20 Cb -0.16 -2.06 0.03 0.00 1.00 0.00 0.00 33.01 31.82 2xfe s GLN 20 CO 0.09 0.54 -0.07 0.08 -2.12 0.00 0.00 175.29 173.82 2xfe s VAL 21 N -0.56 0.98 -1.37 1.09 1.01 0.88 -0.81 120.40 121.63 2xfe s VAL 21 Ca 0.08 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2xfe s VAL 21 Cb -0.10 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.27 2xfe s VAL 21 CO -0.00 0.32 0.40 0.61 0.00 0.00 0.00 175.10 176.43 2xfe n GLY 22 N 4.95 -0.50 2.50 4.51 0.00 0.06 -1.45 105.19 115.26 2xfe n GLY 22 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2xfe n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xfe n GLY 23 N -1.21 1.04 3.81 -0.02 0.00 -1.26 -4.96 105.19 102.58 2xfe n GLY 23 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2xfe n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xfe s THR 24 N -3.60 5.44 -0.39 2.61 2.01 -0.53 -5.05 115.64 116.14 2xfe s THR 24 Ca 0.00 0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 2xfe s THR 24 Cb 0.00 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 69.07 2xfe s THR 24 CO 0.00 0.53 0.92 -0.89 -0.69 0.00 0.00 174.62 174.50 2xfe s THR 25 N -0.39 4.57 -0.04 -0.82 2.01 -1.26 -0.08 115.64 119.63 2xfe s THR 25 Ca 0.13 1.11 -0.22 0.00 0.31 0.00 0.00 61.69 63.01 2xfe s THR 25 Cb -0.12 -4.35 -0.26 0.00 0.01 0.00 0.00 72.50 67.78 2xfe s THR 25 CO 0.02 -0.59 0.99 0.58 -0.69 0.00 0.00 174.62 174.93 2xfe h VAL 26 N 5.87 1.51 -1.55 3.82 2.07 -1.00 -3.49 116.25 123.49 2xfe h VAL 26 Ca -0.23 -2.23 0.08 0.00 0.82 0.00 0.00 66.70 65.14 2xfe h VAL 26 Cb 1.08 2.91 -0.23 0.00 -1.52 0.00 0.00 31.29 33.53 2xfe h VAL 26 CO 0.99 0.63 0.56 -1.58 0.02 0.00 0.00 177.57 178.18 2xfe s GLN 27 N -2.84 0.58 0.01 1.57 2.00 -1.20 -5.01 119.66 114.78 2xfe s GLN 27 Ca -0.14 0.15 0.05 0.00 -2.00 0.00 0.00 55.36 53.42 2xfe s GLN 27 Cb 0.01 0.27 -0.02 0.00 0.80 0.00 0.00 33.01 34.08 2xfe s GLN 27 CO 0.80 -0.18 -0.15 0.99 -0.50 0.00 0.00 175.29 176.25 2xfe s THR 28 N -1.07 1.18 0.02 -0.34 2.01 -1.26 -0.53 115.64 115.64 2xfe s THR 28 Ca -0.01 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 2xfe s THR 28 Cb -0.01 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2xfe s THR 28 CO 0.01 0.21 0.00 0.26 -0.69 0.00 0.00 174.62 174.41 2xfe s TRP 29 N -0.55 0.21 -0.18 4.92 0.51 -0.03 -5.00 118.94 118.81 2xfe s TRP 29 Ca 0.04 -0.43 -0.14 0.00 -2.12 0.00 0.00 56.10 53.46 2xfe s TRP 29 Cb -0.07 -0.15 -0.04 0.00 -0.81 0.00 0.00 33.47 32.40 2xfe s TRP 29 CO 0.00 -0.20 0.30 0.99 -0.51 0.00 0.00 176.95 177.53 2xfe s THR 30 N -1.38 5.29 0.61 2.01 2.01 -1.26 -1.45 115.64 121.47 2xfe s THR 30 Ca -0.15 0.54 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 2xfe s THR 30 Cb -0.09 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2xfe s THR 30 CO -0.00 0.35 0.93 -0.76 -0.69 0.00 0.00 174.62 174.44 2xfe s LEU 31 N 0.78 3.16 0.00 4.42 1.43 0.10 -5.00 118.68 123.56 2xfe s LEU 31 Ca 0.16 0.71 0.05 0.00 -1.03 0.00 0.00 54.13 54.01 2xfe s LEU 31 Cb -0.13 -3.51 0.05 0.00 0.03 0.00 0.00 46.19 42.62 2xfe s LEU 31 CO 0.05 -1.15 0.40 0.35 0.23 0.00 0.00 176.35 176.23 2xfe n THR 32 N -2.65 0.00 1.37 5.49 -2.24 -1.26 -4.26 114.28 110.72 2xfe n THR 32 Ca 0.05 -2.04 0.14 0.00 -2.27 0.00 0.00 64.05 59.94 2xfe n THR 32 Cb 0.58 -0.07 0.68 0.00 -2.10 0.00 0.00 70.33 69.42 2xfe n THR 32 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2xfe n THR 33 N -1.72 0.00 -4.00 4.28 -2.24 -1.26 0.13 114.28 109.46 2xfe n THR 33 Ca -0.01 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 2xfe n THR 33 Cb 0.59 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 2xfe n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xfe s ALA 34 N -2.59 3.75 0.11 6.98 0.00 -1.26 -4.70 121.76 124.04 2xfe s ALA 34 Ca 0.27 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 2xfe s ALA 34 Cb 0.20 -1.80 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 2xfe s ALA 34 CO 0.48 0.66 1.86 -1.64 0.00 0.00 0.00 175.76 177.12 2xfe s MET 35 N -1.34 4.14 0.12 0.00 1.00 -1.26 -4.50 119.30 117.46 2xfe s MET 35 Ca 0.19 2.60 -0.08 0.00 0.00 0.00 0.00 55.69 58.41 2xfe s MET 35 Cb -0.12 -3.71 -0.01 0.00 0.00 0.00 0.00 34.83 30.99 2xfe s MET 35 CO 0.09 -0.87 0.20 -0.65 0.00 0.00 0.00 175.02 173.80 2xfe s GLN 36 N 3.10 0.97 -0.07 2.03 -1.52 -1.02 -4.93 119.66 118.23 2xfe s GLN 36 Ca 0.83 -1.11 -0.09 0.00 -1.95 0.00 0.00 55.36 53.03 2xfe s GLN 36 Cb -0.45 0.34 -0.05 0.00 -0.22 0.00 0.00 33.01 32.63 2xfe s GLN 36 CO 0.37 -0.32 0.24 -0.51 -0.25 0.00 0.00 175.29 174.82 2xfe s ASP 37 N -2.93 6.52 -0.09 5.90 1.01 -1.26 -1.87 116.67 123.95 2xfe s ASP 37 Ca 0.12 0.62 0.01 0.00 0.71 0.00 0.00 52.55 54.01 2xfe s ASP 37 Cb 0.05 -2.12 0.02 0.00 1.01 0.00 0.00 42.92 41.87 2xfe s ASP 37 CO -0.05 0.36 -0.11 -0.31 0.21 0.00 0.00 175.17 175.27 2xfe s TYR 38 N -1.09 1.54 0.07 4.23 2.02 0.69 -4.97 117.35 119.83 2xfe s TYR 38 Ca 0.20 -0.66 0.09 0.00 -0.37 0.00 0.00 57.07 56.32 2xfe s TYR 38 Cb -0.13 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 2xfe s TYR 38 CO 0.09 -0.39 -0.23 0.95 -1.57 0.00 0.00 175.55 174.40 2xfe s THR 39 N 1.06 1.88 0.26 -0.71 -4.23 -1.26 0.14 115.64 112.78 2xfe s THR 39 Ca -0.07 -1.40 -0.08 0.00 -1.18 0.00 0.00 61.69 58.96 2xfe s THR 39 Cb -0.15 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 2xfe s THR 39 CO -0.01 0.17 0.41 0.00 -0.54 0.00 0.00 174.62 174.65 2xfe s ALA 40 N -0.92 0.29 -0.06 3.99 0.00 -0.17 -5.01 121.76 119.88 2xfe s ALA 40 Ca 0.09 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 2xfe s ALA 40 Cb -0.10 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.21 2xfe s ALA 40 CO 0.03 -0.79 0.32 0.45 0.00 0.00 0.00 175.76 175.77 2xfe s SER 41 N -3.10 -0.26 0.02 0.00 0.15 -1.26 -1.33 113.70 107.92 2xfe s SER 41 Ca 0.28 0.34 -0.11 0.00 0.70 0.00 0.00 55.95 57.15 2xfe s SER 41 Cb 0.01 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2xfe s SER 41 CO 0.12 -0.31 0.24 0.28 1.20 0.00 0.00 173.24 174.77 2xfe s THR 42 N -0.69 0.08 -2.15 6.45 -1.32 -0.71 -4.98 115.64 112.33 2xfe s THR 42 Ca -0.08 -0.70 0.27 0.00 -1.21 0.00 0.00 61.69 59.97 2xfe s THR 42 Cb -0.04 -0.74 0.38 0.00 -1.51 0.00 0.00 72.50 70.59 2xfe s THR 42 CO 0.03 -0.38 1.61 -1.20 -2.21 0.00 0.00 174.62 172.46 2xfe n SER 43 N 0.98 1.36 -4.84 8.08 7.64 -1.26 -1.41 113.62 124.17 2xfe n SER 43 Ca -0.20 -1.23 -0.32 0.00 1.01 0.00 0.00 58.87 58.12 2xfe n SER 43 Cb 0.57 0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2xfe n SER 43 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2xfe s LEU 44 N -2.26 3.51 0.51 -3.43 1.43 -1.26 -4.97 118.68 112.21 2xfe s LEU 44 Ca 0.30 1.56 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 2xfe s LEU 44 Cb 0.20 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.91 2xfe s LEU 44 CO 0.43 -0.73 0.11 0.42 0.23 0.00 0.00 176.35 176.81 2xfe s THR 45 N -2.75 1.40 -0.54 5.49 -4.23 -1.26 -4.93 115.64 108.81 2xfe s THR 45 Ca 0.58 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 2xfe s THR 45 Cb -0.11 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.47 2xfe s THR 45 CO 0.38 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2xfe n GLY 46 N -1.36 0.77 3.72 3.99 0.00 -1.26 -4.16 105.19 106.88 2xfe n GLY 46 Ca -0.13 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.18 2xfe n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xfe s GLU 47 N -0.83 4.27 -0.10 1.61 2.12 -1.26 -0.78 118.70 123.73 2xfe s GLU 47 Ca 0.00 2.21 -0.19 0.00 0.36 0.00 0.00 54.97 57.35 2xfe s GLU 47 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 2xfe s GLU 47 CO 0.00 -0.52 0.52 0.42 -0.54 0.00 0.00 175.26 175.14 2xfe s ILE 48 N 1.12 5.15 0.00 -3.70 1.01 0.17 -0.76 121.20 124.19 2xfe s ILE 48 Ca 0.67 1.05 0.05 0.00 0.00 0.00 0.00 60.65 62.42 2xfe s ILE 48 Cb -0.40 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 2xfe s ILE 48 CO 0.31 0.32 -0.16 -0.13 0.00 0.00 0.00 174.94 175.28 2xfe s ARG 49 N 0.58 1.25 -0.24 2.79 0.52 0.01 -0.26 118.95 123.60 2xfe s ARG 49 Ca 0.28 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 2xfe s ARG 49 Cb -0.16 -1.24 0.03 0.00 0.52 0.00 0.00 34.95 34.10 2xfe s ARG 49 CO 0.12 0.33 -0.08 0.08 0.02 0.00 0.00 175.30 175.77 2xfe s VAL 50 N -0.51 2.71 -0.15 3.52 1.01 -0.46 -0.67 120.40 125.85 2xfe s VAL 50 Ca 0.06 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2xfe s VAL 50 Cb -0.07 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2xfe s VAL 50 CO 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.23 2xfe s ALA 51 N 1.30 2.70 -0.19 5.51 0.00 0.06 -1.16 121.76 129.99 2xfe s ALA 51 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 2xfe s ALA 51 Cb -0.16 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 2xfe s ALA 51 CO -0.06 0.09 0.56 0.12 0.00 0.00 0.00 175.76 176.48 2xfe s PHE 52 N 0.60 3.39 -0.07 0.00 5.36 0.55 -0.64 117.98 127.17 2xfe s PHE 52 Ca -0.06 0.85 0.01 0.00 -0.96 0.00 0.00 56.93 56.77 2xfe s PHE 52 Cb -0.15 -2.72 -0.00 0.00 -0.34 0.00 0.00 43.02 39.81 2xfe s PHE 52 CO 0.03 -0.11 0.17 0.25 -1.46 0.00 0.00 175.22 174.11 2xfe n THR 53 N 4.52 0.00 -2.39 0.12 -2.24 -0.96 -1.85 114.28 111.49 2xfe n THR 53 Ca -0.03 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 2xfe n THR 53 Cb 0.50 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.78 2xfe n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2xfe n ASN 54 N -0.73 3.13 -4.57 3.42 6.94 -1.26 -5.02 115.26 117.18 2xfe n ASN 54 Ca 0.00 -2.92 -0.44 0.00 -0.02 0.00 0.00 54.58 51.21 2xfe n ASN 54 Cb 0.02 -0.41 -0.01 0.00 -2.36 0.00 0.00 39.78 37.02 2xfe n ASN 54 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2xfe n ASP 55 N -0.63 0.94 -3.83 0.53 2.03 -1.26 -4.89 116.55 109.44 2xfe n ASP 55 Ca 0.25 1.12 -0.07 0.00 0.52 0.00 0.00 54.79 56.61 2xfe n ASP 55 Cb 0.89 -1.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 2xfe n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xfe s ALA 56 N -1.14 -1.25 -0.14 -1.67 0.00 -1.26 -5.00 121.76 111.31 2xfe s ALA 56 Ca 0.60 -0.25 -0.33 0.00 0.00 0.00 0.00 51.96 51.98 2xfe s ALA 56 Cb -0.68 0.85 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 2xfe s ALA 56 CO 0.59 -1.02 1.99 2.41 0.00 0.00 0.00 175.76 179.72 2xfe n THR 57 N -0.45 0.51 0.00 0.00 -1.04 -1.26 -1.69 114.28 110.35 2xfe n THR 57 Ca -0.05 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2xfe n THR 57 Cb 0.59 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 2xfe n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2xfe n GLY 58 N 4.92 0.33 3.56 3.41 0.00 -1.26 -5.09 105.19 111.07 2xfe n GLY 58 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 2xfe n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xfe s ARG 59 N -0.99 3.36 -0.06 1.61 0.52 -0.68 -4.32 118.95 118.39 2xfe s ARG 59 Ca 0.00 -0.49 -0.17 0.00 -0.52 0.00 0.00 55.73 54.55 2xfe s ARG 59 Cb 0.00 -2.84 0.03 0.00 0.52 0.00 0.00 34.95 32.66 2xfe s ARG 59 CO 0.00 0.43 0.39 -0.51 0.02 0.00 0.00 175.30 175.63 2xfe s ASP 60 N -0.15 -0.33 0.02 0.23 -0.00 -1.26 -4.52 116.67 110.66 2xfe s ASP 60 Ca 0.03 0.40 0.05 0.00 -0.00 0.00 0.00 52.55 53.04 2xfe s ASP 60 Cb -0.13 0.51 -0.03 0.00 -0.00 0.00 0.00 42.92 43.27 2xfe s ASP 60 CO 0.02 -0.37 -0.13 -0.69 -0.00 0.00 0.00 175.17 174.00 2xfe s VAL 61 N -0.82 3.15 -0.11 -1.27 1.01 0.16 -1.98 120.40 120.53 2xfe s VAL 61 Ca -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2xfe s VAL 61 Cb -0.04 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2xfe s VAL 61 CO 0.04 0.39 -0.10 -1.58 0.00 0.00 0.00 175.10 173.84 2xfe s GLN 62 N -1.35 1.77 -0.24 2.72 0.74 -0.39 -0.01 119.66 122.91 2xfe s GLN 62 Ca 0.15 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 2xfe s GLN 62 Cb -0.11 -1.69 0.00 0.00 1.10 0.00 0.00 33.01 32.32 2xfe s GLN 62 CO 0.06 -0.19 -0.03 0.08 -0.55 0.00 0.00 175.29 174.65 2xfe s VAL 63 N 1.43 3.35 -0.04 1.34 1.01 0.66 -0.83 120.40 127.32 2xfe s VAL 63 Ca 0.01 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2xfe s VAL 63 Cb -0.13 -2.60 -0.17 0.00 0.00 0.00 0.00 36.38 33.49 2xfe s VAL 63 CO -0.06 0.32 0.96 -0.78 0.00 0.00 0.00 175.10 175.54 2xfe h ASP 64 N 8.11 -0.18 -5.21 3.32 1.82 -1.03 -3.41 116.42 119.84 2xfe h ASP 64 Ca -0.38 -0.36 0.14 0.00 -0.39 0.00 0.00 57.03 56.03 2xfe h ASP 64 Cb 1.14 0.05 -0.07 0.00 0.68 0.00 0.00 39.33 41.13 2xfe h ASP 64 CO 0.60 0.35 0.39 -0.72 -1.61 0.00 0.00 179.24 178.25 2xfe s TYR 65 N -3.65 -0.14 0.26 0.28 -0.85 -1.23 -1.86 117.35 110.17 2xfe s TYR 65 Ca -0.13 -0.23 0.09 0.00 -0.52 0.00 0.00 57.07 56.27 2xfe s TYR 65 Cb 0.01 0.67 -0.05 0.00 0.38 0.00 0.00 41.96 42.96 2xfe s TYR 65 CO 0.51 -0.99 -0.13 0.96 -1.52 0.00 0.00 175.55 174.38 2xfe s ILE 66 N -3.48 1.97 -0.12 -3.49 -4.36 -0.35 -1.44 121.20 109.94 2xfe s ILE 66 Ca 0.12 -2.24 0.00 0.00 -0.26 0.00 0.00 60.65 58.27 2xfe s ILE 66 Cb -0.03 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.40 2xfe s ILE 66 CO 0.04 -0.41 -0.11 -0.69 0.24 0.00 0.00 174.94 174.01 2xfe s VAL 67 N -2.81 1.28 -0.28 8.37 1.01 0.44 -0.27 120.40 128.15 2xfe s VAL 67 Ca 0.28 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2xfe s VAL 67 Cb -0.00 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 35.21 2xfe s VAL 67 CO 0.12 0.41 -0.06 -0.69 0.00 0.00 0.00 175.10 174.87 2xfe s VAL 68 N 1.43 2.37 -1.46 2.92 1.01 -0.06 -0.34 120.40 126.28 2xfe s VAL 68 Ca 0.01 -1.68 -0.01 0.00 0.00 0.00 0.00 61.98 60.30 2xfe s VAL 68 Cb -0.13 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2xfe s VAL 68 CO -0.07 -0.13 0.33 0.59 0.00 0.00 0.00 175.10 175.82 2xfe n ASN 69 N 4.45 -0.10 0.00 3.32 3.02 0.95 -1.35 115.26 125.55 2xfe n ASN 69 Ca -0.11 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 2xfe n ASN 69 Cb 0.42 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 2xfe n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xfe n GLY 70 N -2.11 2.38 3.62 7.41 0.00 -1.26 -5.01 105.19 110.22 2xfe n GLY 70 Ca -0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2xfe n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xfe s GLN 71 N -0.34 4.00 0.21 1.61 -0.21 -0.46 -5.05 119.66 119.43 2xfe s GLN 71 Ca 0.00 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 2xfe s GLN 71 Cb 0.00 -3.62 -0.08 0.00 1.00 0.00 0.00 33.01 30.31 2xfe s GLN 71 CO 0.00 -0.11 1.12 0.99 -2.12 0.00 0.00 175.29 175.18 2xfe s THR 72 N 1.54 3.67 -0.22 -0.19 2.01 -1.26 -0.88 115.64 120.31 2xfe s THR 72 Ca 0.08 1.51 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 2xfe s THR 72 Cb -0.15 -3.96 0.06 0.00 0.01 0.00 0.00 72.50 68.46 2xfe s THR 72 CO 0.09 0.29 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.17 2xfe s ARG 73 N -0.71 1.16 0.20 4.92 0.52 0.63 -4.98 118.95 120.68 2xfe s ARG 73 Ca 0.48 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 2xfe s ARG 73 Cb -0.31 -2.36 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 2xfe s ARG 73 CO 0.37 -0.63 1.21 -0.65 0.02 0.00 0.00 175.30 175.62 2xfe s GLN 74 N 1.61 4.48 0.36 3.54 -1.52 -1.26 -1.21 119.66 125.66 2xfe s GLN 74 Ca -0.03 1.90 0.04 0.00 -1.95 0.00 0.00 55.36 55.32 2xfe s GLN 74 Cb -0.18 -3.23 0.68 0.00 -0.22 0.00 0.00 33.01 30.06 2xfe s GLN 74 CO -0.07 -0.09 1.97 0.00 -0.25 0.00 0.00 175.29 176.85 2xfe h ALA 75 N 5.12 1.52 0.00 6.09 0.00 -1.60 -2.13 119.26 128.27 2xfe h ALA 75 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2xfe h ALA 75 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2xfe h ALA 75 CO 0.74 0.39 0.00 -0.85 0.00 0.00 0.00 179.25 179.53 2xfe n GLU 76 N -4.39 0.06 -0.03 0.00 0.00 -1.26 -1.78 120.64 113.24 2xfe n GLU 76 Ca 0.04 0.10 0.13 0.00 0.00 0.00 0.00 57.16 57.42 2xfe n GLU 76 Cb 0.12 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 30.39 2xfe n GLU 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2xfe n ASN 77 N -1.46 2.20 -4.83 -1.84 3.02 -0.80 -4.19 115.26 107.36 2xfe n ASN 77 Ca 0.07 -1.74 -0.38 0.00 -0.03 0.00 0.00 54.58 52.50 2xfe n ASN 77 Cb 0.25 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 2xfe n ASN 77 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2xfe s GLN 78 N -1.92 3.89 0.25 3.52 -1.52 -0.73 -4.93 119.66 118.22 2xfe s GLN 78 Ca 0.34 0.30 0.19 0.00 -1.95 0.00 0.00 55.36 54.25 2xfe s GLN 78 Cb 0.20 -3.24 0.06 0.00 -0.22 0.00 0.00 33.01 29.81 2xfe s GLN 78 CO 0.31 0.64 1.24 0.66 -0.25 0.00 0.00 175.29 177.89 2xfe h SER 79 N 5.02 0.00 -3.65 5.90 4.64 -1.88 0.41 113.55 123.99 2xfe h SER 79 Ca -0.51 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.14 2xfe h SER 79 Cb 1.21 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.08 2xfe h SER 79 CO 0.63 0.28 -0.58 -0.69 -0.87 0.00 0.00 176.83 175.60 2xfe s VAL 80 N -3.11 4.46 -0.18 0.95 1.01 -1.26 -3.94 120.40 118.33 2xfe s VAL 80 Ca 0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2xfe s VAL 80 Cb 0.08 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.29 2xfe s VAL 80 CO 0.75 0.13 0.10 0.21 0.00 0.00 0.00 175.10 176.30 2xfe s ASN 81 N 1.60 2.29 0.00 3.32 3.84 -1.26 -1.79 114.94 122.95 2xfe s ASN 81 Ca 0.05 -0.60 0.25 0.00 0.21 0.00 0.00 52.86 52.76 2xfe s ASN 81 Cb -0.17 -0.18 0.57 0.00 -0.55 0.00 0.00 41.25 40.92 2xfe s ASN 81 CO 0.05 -0.35 1.47 0.35 -2.79 0.00 0.00 177.10 175.83 2xfe n THR 82 N 5.28 0.12 0.11 -5.21 -2.24 0.28 -4.28 114.28 108.35 2xfe n THR 82 Ca -0.07 -0.45 0.02 0.00 -2.27 0.00 0.00 64.05 61.28 2xfe n THR 82 Cb 0.49 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 2xfe n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xfe n GLY 83 N 1.30 0.39 3.75 3.38 0.00 -1.26 -3.00 105.19 109.74 2xfe n GLY 83 Ca 0.17 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2xfe n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xfe s VAL 84 N -1.64 2.67 -0.33 1.61 0.11 -1.22 -0.62 120.40 120.98 2xfe s VAL 84 Ca 0.00 0.58 -0.29 0.00 -2.93 0.00 0.00 61.98 59.34 2xfe s VAL 84 Cb 0.03 -3.37 0.01 0.00 -1.53 0.00 0.00 36.38 31.52 2xfe s VAL 84 CO 0.15 0.10 1.16 0.86 -3.33 0.00 0.00 175.10 174.04 2xfe s TRP 85 N -0.13 2.95 -0.07 1.54 -0.11 -1.26 -0.26 118.94 121.60 2xfe s TRP 85 Ca 0.58 1.02 -0.29 0.00 1.22 0.00 0.00 56.10 58.64 2xfe s TRP 85 Cb -0.42 -3.86 0.06 0.00 -1.50 0.00 0.00 33.47 27.76 2xfe s TRP 85 CO 0.44 -1.15 0.64 0.00 -4.62 0.00 0.00 176.95 172.26 2xfe s ALA 86 N 4.00 -1.66 -1.45 5.86 0.00 -0.61 -4.90 121.76 123.00 2xfe s ALA 86 Ca 0.49 1.27 -0.10 0.00 0.00 0.00 0.00 51.96 53.63 2xfe s ALA 86 Cb -0.13 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.95 2xfe s ALA 86 CO 0.20 -0.35 0.75 0.09 0.00 0.00 0.00 175.76 176.45 2xfe n ASN 87 N 1.12 -4.99 -3.26 0.00 4.13 -1.26 -1.60 115.26 109.40 2xfe n ASN 87 Ca -0.19 -0.50 -0.23 0.00 1.68 0.00 0.00 54.58 55.33 2xfe n ASN 87 Cb 0.57 -4.02 0.05 0.00 -1.54 0.00 0.00 39.78 34.83 2xfe n ASN 87 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2xfe n ASN 88 N -2.60 -6.06 -3.47 6.41 5.15 -1.26 -4.97 115.26 108.46 2xfe n ASN 88 Ca -0.02 -0.39 -0.13 0.00 -0.60 0.00 0.00 54.58 53.44 2xfe n ASN 88 Cb 0.56 -4.86 -0.03 0.00 -0.53 0.00 0.00 39.78 34.92 2xfe n ASN 88 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2xfe s GLN 89 N -5.95 1.11 0.30 1.20 -2.07 -0.62 -5.10 119.66 108.51 2xfe s GLN 89 Ca 0.41 -0.22 -0.29 0.00 -1.82 0.00 0.00 55.36 53.45 2xfe s GLN 89 Cb -0.19 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 32.15 2xfe s GLN 89 CO 0.51 -0.44 1.25 0.00 -1.32 0.00 0.00 175.29 175.28 2xfe n GLY 91 N 1.16 -0.51 0.00 0.00 0.00 0.64 -4.90 105.19 101.58 2xfe n GLY 91 Ca 0.01 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2xfe n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xfe n GLY 92 N -1.15 -1.18 1.78 -0.02 0.00 -0.92 -4.82 105.19 98.88 2xfe n GLY 92 Ca -0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 2xfe n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2xfe n SER 93 N -1.36 -0.92 -0.30 1.61 3.41 -1.26 -4.60 113.62 110.20 2xfe n SER 93 Ca 0.10 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 2xfe n SER 93 Cb 0.23 1.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.77 2xfe n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xfe n GLY 94 N -0.28 4.98 3.83 5.00 0.00 -1.25 -4.01 105.19 113.47 2xfe n GLY 94 Ca -0.02 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 2xfe n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xfe n ASN 95 N -0.28 -2.70 -3.92 1.61 4.13 0.15 -4.92 115.26 109.32 2xfe n ASN 95 Ca 0.00 -1.02 -0.10 0.00 1.68 0.00 0.00 54.58 55.14 2xfe n ASN 95 Cb 0.00 -3.15 -0.11 0.00 -1.54 0.00 0.00 39.78 34.98 2xfe n ASN 95 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2xfe s SER 96 N -3.94 0.12 0.46 6.41 0.15 -1.26 -4.76 113.70 110.89 2xfe s SER 96 Ca 0.23 -0.29 0.29 0.00 0.70 0.00 0.00 55.95 56.88 2xfe s SER 96 Cb -0.09 0.13 0.94 0.00 -1.71 0.00 0.00 66.02 65.29 2xfe s SER 96 CO 0.88 -0.25 1.82 -0.33 1.20 0.00 0.00 173.24 176.55 2xfe h GLU 97 N 4.89 0.00 -5.95 5.44 5.08 -1.81 -3.36 114.58 118.85 2xfe h GLU 97 Ca -0.30 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.47 2xfe h GLU 97 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2xfe h GLU 97 CO 0.42 0.00 -0.17 -1.58 -1.00 0.00 0.00 179.01 176.69 2xfe s TRP 98 N -3.44 3.68 -0.35 4.33 0.52 -1.26 -0.24 118.94 122.18 2xfe s TRP 98 Ca 0.04 0.99 0.03 0.00 0.02 0.00 0.00 56.10 57.19 2xfe s TRP 98 Cb 0.08 -2.38 0.10 0.00 -1.15 0.00 0.00 33.47 30.11 2xfe s TRP 98 CO 0.58 0.51 0.06 -0.51 0.02 0.00 0.00 176.95 177.61 2xfe s LEU 99 N -0.61 4.79 -0.04 2.99 1.43 0.99 -3.37 118.68 124.86 2xfe s LEU 99 Ca 0.25 -2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 51.11 2xfe s LEU 99 Cb -0.17 -1.65 -0.31 0.00 0.03 0.00 0.00 46.19 44.09 2xfe s LEU 99 CO 0.13 -0.39 0.69 0.45 0.23 0.00 0.00 176.35 177.46 2xfe h HIS 100 N 7.67 0.74 -1.70 0.29 3.86 -1.49 0.48 115.15 125.00 2xfe h HIS 100 Ca -0.06 -0.54 -0.48 0.00 -1.16 0.00 0.00 60.37 58.14 2xfe h HIS 100 Cb 1.02 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 2xfe h HIS 100 CO 0.48 1.67 -0.39 0.00 0.86 0.00 0.00 177.93 180.55 2xfe n ASN 102 N -1.52 2.95 0.00 0.00 3.02 -1.26 -4.47 115.26 113.97 2xfe n ASN 102 Ca 0.01 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 2xfe n ASN 102 Cb 0.60 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 2xfe n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xfe n GLY 103 N 0.70 -1.78 3.16 7.41 0.00 -0.77 -4.40 105.19 109.51 2xfe n GLY 103 Ca 0.05 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 2xfe n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2xfe s TYR 104 N -2.38 0.28 -0.19 1.61 1.13 -1.26 -0.33 117.35 116.20 2xfe s TYR 104 Ca 0.00 -0.74 -0.07 0.00 -1.41 0.00 0.00 57.07 54.85 2xfe s TYR 104 Cb 0.00 -0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 2xfe s TYR 104 CO 0.00 -0.48 0.05 0.42 -2.51 0.00 0.00 175.55 173.03 2xfe s ILE 105 N -3.82 4.53 -0.18 -3.49 1.01 -0.31 -0.56 121.20 118.37 2xfe s ILE 105 Ca 0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 2xfe s ILE 105 Cb 0.06 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2xfe s ILE 105 CO -0.10 0.43 0.57 -0.55 0.00 0.00 0.00 174.94 175.29 2xfe s SER 106 N 0.69 6.65 -0.07 3.58 0.15 -0.74 -1.36 113.70 122.60 2xfe s SER 106 Ca 0.02 0.78 0.18 0.00 0.70 0.00 0.00 55.95 57.64 2xfe s SER 106 Cb -0.13 -2.32 0.63 0.00 -1.71 0.00 0.00 66.02 62.49 2xfe s SER 106 CO 0.02 -0.19 1.54 0.49 1.20 0.00 0.00 173.24 176.30 2xfe n PHE 107 N 4.71 1.17 -2.48 3.44 3.01 0.64 -4.58 117.46 123.37 2xfe n PHE 107 Ca -0.03 -0.58 0.06 0.00 1.01 0.00 0.00 57.45 57.91 2xfe n PHE 107 Cb 0.50 -0.15 -0.01 0.00 -0.01 0.00 0.00 39.48 39.81 2xfe n PHE 107 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xfe n GLY 108 N 1.10 -1.80 3.68 1.37 0.00 -1.25 -4.78 105.19 103.51 2xfe n GLY 108 Ca 0.23 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 2xfe n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xfe n ASN 109 N -2.07 1.89 0.00 1.61 3.02 -1.26 -0.66 115.26 117.80 2xfe n ASN 109 Ca 0.00 0.97 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 2xfe n ASN 109 Cb 0.20 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 2xfe n ASN 109 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16