#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xhh s ASN 2 N 0.00 6.84 -0.15 4.04 0.01 0.63 -4.88 114.94 121.44 2xhh s ASN 2 Ca 0.00 1.00 -0.13 0.00 -0.71 0.00 0.00 52.86 53.02 2xhh s ASN 2 Cb 0.00 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 2xhh s ASN 2 CO 0.00 0.08 0.28 -0.94 -1.51 0.00 0.00 177.10 175.01 2xhh s SER 3 N 0.04 6.44 -0.10 -1.22 1.04 -1.26 -1.08 113.70 117.56 2xhh s SER 3 Ca 0.28 0.52 -0.00 0.00 0.48 0.00 0.00 55.95 57.23 2xhh s SER 3 Cb -0.17 -2.17 0.02 0.00 0.10 0.00 0.00 66.02 63.80 2xhh s SER 3 CO 0.14 0.14 -0.07 -0.63 0.98 0.00 0.00 173.24 173.80 2xhh s ILE 4 N 0.24 0.96 -0.17 -1.02 1.01 0.03 -0.88 121.20 121.37 2xhh s ILE 4 Ca 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 2xhh s ILE 4 Cb -0.13 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2xhh s ILE 4 CO 0.04 0.35 -0.03 -0.89 0.00 0.00 0.00 174.94 174.41 2xhh s THR 5 N 1.63 3.88 -0.17 2.92 2.01 0.03 -1.00 115.64 124.94 2xhh s THR 5 Ca 0.03 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 2xhh s THR 5 Cb -0.13 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2xhh s THR 5 CO -0.07 0.48 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.65 2xhh s VAL 6 N 0.54 4.22 -0.28 3.82 1.01 0.13 -0.29 120.40 129.54 2xhh s VAL 6 Ca -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2xhh s VAL 6 Cb -0.14 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.39 2xhh s VAL 6 CO 0.03 0.48 0.02 -0.60 0.00 0.00 0.00 175.10 175.02 2xhh s ARG 7 N 0.38 2.84 0.21 2.72 3.52 -0.25 -0.68 118.95 127.69 2xhh s ARG 7 Ca -0.01 -1.00 -0.18 0.00 -0.13 0.00 0.00 55.73 54.40 2xhh s ARG 7 Cb -0.14 -3.21 0.03 0.00 -1.56 0.00 0.00 34.95 30.08 2xhh s ARG 7 CO 0.02 -0.48 0.55 0.00 -0.81 0.00 0.00 175.30 174.58 2xhh s ALA 8 N 1.38 -0.99 0.04 6.12 0.00 -0.84 -0.39 121.76 127.10 2xhh s ALA 8 Ca -0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 2xhh s ALA 8 Cb -0.18 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 2xhh s ALA 8 CO -0.01 -0.83 0.17 -0.98 0.00 0.00 0.00 175.76 174.11 2xhh s ARG 9 N -3.88 0.68 0.12 0.00 1.70 -0.05 -2.33 118.95 115.19 2xhh s ARG 9 Ca 0.09 -0.69 0.04 0.00 -0.47 0.00 0.00 55.73 54.71 2xhh s ARG 9 Cb -0.02 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 2xhh s ARG 9 CO -0.02 -0.19 0.08 0.20 -1.08 0.00 0.00 175.30 174.28 2xhh s GLY 10 N -2.16 1.87 0.15 3.88 0.00 0.24 -0.98 107.32 110.33 2xhh s GLY 10 Ca -0.04 -1.13 -0.06 0.00 0.00 0.00 0.00 44.72 43.49 2xhh s GLY 10 CO -0.05 -1.13 1.41 -2.08 0.00 0.00 0.00 173.10 171.26 2xhh h VAL 11 N 2.44 1.33 0.00 1.40 2.07 -1.40 -3.35 116.25 118.75 2xhh h VAL 11 Ca -0.47 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2xhh h VAL 11 Cb 1.18 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2xhh h VAL 11 CO 0.63 0.62 0.00 -0.46 0.02 0.00 0.00 177.57 178.38 2xhh n ASN 12 N -3.90 0.92 0.00 0.57 6.94 -1.26 -4.91 115.26 113.61 2xhh n ASN 12 Ca -0.05 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.54 2xhh n ASN 12 Cb 0.69 0.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.17 2xhh n ASN 12 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xhh n GLY 13 N 0.05 0.76 0.15 4.83 0.00 -1.26 -4.90 105.19 104.82 2xhh n GLY 13 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2xhh n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xhh n GLN 14 N -2.28 0.39 -2.32 1.61 6.02 -1.26 -4.62 117.38 114.91 2xhh n GLN 14 Ca 0.00 -0.30 -0.41 0.00 -0.01 0.00 0.00 57.00 56.28 2xhh n GLN 14 Cb 0.00 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 2xhh n GLN 14 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2xhh s GLU 15 N -2.81 4.51 -0.12 -1.09 8.01 -1.26 -4.87 118.70 121.07 2xhh s GLU 15 Ca 0.13 1.97 -0.00 0.00 0.01 0.00 0.00 54.97 57.08 2xhh s GLU 15 Cb 0.17 -3.16 -0.02 0.00 -4.31 0.00 0.00 34.13 26.81 2xhh s GLU 15 CO 0.72 0.00 -0.12 0.45 0.01 0.00 0.00 175.26 176.32 2xhh s SER 16 N -0.50 4.12 0.07 -0.19 0.15 -1.26 -0.84 113.70 115.24 2xhh s SER 16 Ca 0.48 -0.28 0.09 0.00 0.70 0.00 0.00 55.95 56.94 2xhh s SER 16 Cb -0.35 -1.52 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2xhh s SER 16 CO 0.44 0.20 -0.24 0.68 1.20 0.00 0.00 173.24 175.51 2xhh s VAL 17 N 0.17 1.99 -0.07 4.45 -7.23 -0.17 -2.46 120.40 117.08 2xhh s VAL 17 Ca -0.07 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.70 2xhh s VAL 17 Cb -0.15 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 2xhh s VAL 17 CO 0.05 0.21 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.41 2xhh s SER 18 N -1.49 3.55 -0.28 4.85 0.01 0.43 -1.00 113.70 119.76 2xhh s SER 18 Ca 0.10 -0.38 -0.21 0.00 1.31 0.00 0.00 55.95 56.77 2xhh s SER 18 Cb -0.10 -1.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 2xhh s SER 18 CO 0.03 0.26 0.67 -0.22 0.41 0.00 0.00 173.24 174.39 2xhh s LEU 19 N -0.21 4.10 -0.07 2.44 2.96 0.19 -0.89 118.68 127.20 2xhh s LEU 19 Ca -0.01 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 54.56 2xhh s LEU 19 Cb -0.13 -2.90 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 2xhh s LEU 19 CO 0.03 -0.47 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.28 2xhh s GLN 20 N 2.65 2.68 -0.14 1.98 -0.21 -0.09 -0.63 119.66 125.91 2xhh s GLN 20 Ca 0.28 -0.84 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 2xhh s GLN 20 Cb -0.15 -2.26 0.03 0.00 1.00 0.00 0.00 33.01 31.63 2xhh s GLN 20 CO 0.10 0.39 -0.06 0.08 -2.12 0.00 0.00 175.29 173.68 2xhh s VAL 21 N -0.16 1.02 -1.45 1.09 1.01 0.05 -0.25 120.40 121.71 2xhh s VAL 21 Ca -0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2xhh s VAL 21 Cb -0.14 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2xhh s VAL 21 CO 0.04 0.23 0.26 0.61 0.00 0.00 0.00 175.10 176.23 2xhh n GLY 22 N 4.92 -0.50 1.21 4.51 0.00 0.33 -1.71 105.19 113.95 2xhh n GLY 22 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2xhh n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xhh n GLY 23 N -1.14 1.02 3.69 -0.02 0.00 -1.26 -4.93 105.19 102.56 2xhh n GLY 23 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2xhh n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xhh s THR 24 N -2.55 5.34 -0.38 2.61 2.01 -0.69 -5.05 115.64 116.93 2xhh s THR 24 Ca 0.00 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 2xhh s THR 24 Cb 0.00 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.98 2xhh s THR 24 CO 0.00 0.36 1.18 -0.89 -0.69 0.00 0.00 174.62 174.59 2xhh s THR 25 N 0.82 4.25 -0.05 -0.82 2.01 -1.26 -0.77 115.64 119.81 2xhh s THR 25 Ca 0.11 1.36 0.10 0.00 0.31 0.00 0.00 61.69 63.57 2xhh s THR 25 Cb -0.13 -4.41 -0.24 0.00 0.01 0.00 0.00 72.50 67.74 2xhh s THR 25 CO 0.03 -0.71 0.63 0.55 -0.69 0.00 0.00 174.62 174.43 2xhh n VAL 26 N 6.44 1.64 -3.52 3.82 3.14 0.20 -4.97 118.33 125.08 2xhh n VAL 26 Ca 0.13 -0.78 -0.17 0.00 -2.96 0.00 0.00 64.34 60.56 2xhh n VAL 26 Cb 0.48 -1.15 -0.06 0.00 -1.06 0.00 0.00 33.84 32.05 2xhh n VAL 26 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2xhh s GLN 27 N -2.59 1.05 -0.02 1.45 2.00 -1.19 -5.03 119.66 115.33 2xhh s GLN 27 Ca -0.07 0.22 0.03 0.00 -2.00 0.00 0.00 55.36 53.54 2xhh s GLN 27 Cb 0.08 0.49 -0.01 0.00 0.80 0.00 0.00 33.01 34.38 2xhh s GLN 27 CO 0.82 -0.34 -0.12 0.99 -0.50 0.00 0.00 175.29 176.14 2xhh s THR 28 N -1.32 0.96 0.01 -0.34 2.01 -1.26 -0.64 115.64 115.06 2xhh s THR 28 Ca -0.10 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.43 2xhh s THR 28 Cb -0.00 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 2xhh s THR 28 CO 0.08 0.28 -0.08 0.26 -0.69 0.00 0.00 174.62 174.47 2xhh s TRP 29 N -0.13 0.72 -0.12 4.92 0.51 -0.17 -5.01 118.94 119.66 2xhh s TRP 29 Ca 0.02 -0.23 -0.20 0.00 -2.12 0.00 0.00 56.10 53.57 2xhh s TRP 29 Cb -0.06 -0.45 -0.04 0.00 -0.81 0.00 0.00 33.47 32.11 2xhh s TRP 29 CO 0.00 -0.02 0.58 0.99 -0.51 0.00 0.00 176.95 178.00 2xhh s THR 30 N -0.50 5.11 0.59 2.01 2.01 -1.26 -1.00 115.64 122.60 2xhh s THR 30 Ca 0.00 1.17 -0.07 0.00 0.31 0.00 0.00 61.69 63.10 2xhh s THR 30 Cb -0.05 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.54 2xhh s THR 30 CO 0.00 0.26 0.92 -0.76 -0.69 0.00 0.00 174.62 174.35 2xhh s LEU 31 N 0.95 3.24 0.56 4.42 1.43 -0.02 -5.01 118.68 124.25 2xhh s LEU 31 Ca 0.30 0.85 0.07 0.00 -1.03 0.00 0.00 54.13 54.33 2xhh s LEU 31 Cb -0.16 -3.71 0.06 0.00 0.03 0.00 0.00 46.19 42.41 2xhh s LEU 31 CO 0.13 -1.02 0.54 0.42 0.23 0.00 0.00 176.35 176.64 2xhh s THR 32 N -3.02 1.78 -1.53 5.49 -4.23 -1.26 -4.48 115.64 108.38 2xhh s THR 32 Ca 0.54 -1.33 0.29 0.00 -1.18 0.00 0.00 61.69 60.01 2xhh s THR 32 Cb -0.11 -2.11 0.45 0.00 1.34 0.00 0.00 72.50 72.08 2xhh s THR 32 CO 0.47 0.00 1.91 0.35 -0.54 0.00 0.00 174.62 176.80 2xhh n THR 33 N -1.93 0.00 -3.91 3.99 -2.24 -1.26 -0.59 114.28 108.34 2xhh n THR 33 Ca 0.04 -0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 2xhh n THR 33 Cb 0.63 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 2xhh n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xhh s ALA 34 N -2.54 3.88 0.19 6.98 0.00 -1.26 -4.70 121.76 124.32 2xhh s ALA 34 Ca 0.28 -0.69 -0.33 0.00 0.00 0.00 0.00 51.96 51.22 2xhh s ALA 34 Cb 0.20 -1.92 -0.13 0.00 0.00 0.00 0.00 23.12 21.28 2xhh s ALA 34 CO 0.48 0.66 1.68 -1.33 0.00 0.00 0.00 175.76 177.26 2xhh n MET 35 N 1.63 2.59 -3.81 0.00 0.00 -1.26 -4.50 117.12 111.78 2xhh n MET 35 Ca -0.17 0.94 -0.12 0.00 0.00 0.00 0.00 57.70 58.34 2xhh n MET 35 Cb 0.54 -2.76 -0.10 0.00 0.00 0.00 0.00 33.22 30.90 2xhh n MET 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2xhh s GLN 36 N 1.12 0.47 0.01 0.03 2.00 -0.98 -4.95 119.66 117.36 2xhh s GLN 36 Ca 0.76 -0.07 -0.23 0.00 -2.00 0.00 0.00 55.36 53.83 2xhh s GLN 36 Cb -0.56 0.21 -0.05 0.00 0.80 0.00 0.00 33.01 33.41 2xhh s GLN 36 CO 0.34 -0.11 0.69 -0.51 -0.50 0.00 0.00 175.29 175.21 2xhh s ASP 37 N -0.81 7.09 -0.09 6.67 1.01 -1.26 -1.98 116.67 127.29 2xhh s ASP 37 Ca -0.09 1.30 0.02 0.00 0.71 0.00 0.00 52.55 54.49 2xhh s ASP 37 Cb -0.05 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.47 2xhh s ASP 37 CO 0.02 0.03 -0.14 -0.31 0.21 0.00 0.00 175.17 174.97 2xhh s TYR 38 N 0.02 1.80 -0.02 4.23 2.02 0.15 -4.98 117.35 120.57 2xhh s TYR 38 Ca 0.36 -0.78 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 2xhh s TYR 38 Cb -0.19 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 2xhh s TYR 38 CO 0.20 -0.40 -0.25 0.95 -1.57 0.00 0.00 175.55 174.48 2xhh s THR 39 N 0.84 1.98 0.09 -0.71 -4.23 -1.26 0.18 115.64 112.54 2xhh s THR 39 Ca -0.10 -1.09 -0.04 0.00 -1.18 0.00 0.00 61.69 59.28 2xhh s THR 39 Cb -0.15 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 2xhh s THR 39 CO 0.01 0.55 0.08 0.00 -0.54 0.00 0.00 174.62 174.72 2xhh s ALA 40 N -0.60 0.34 0.04 3.99 0.00 -0.17 -5.01 121.76 120.36 2xhh s ALA 40 Ca 0.10 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 51.04 2xhh s ALA 40 Cb -0.10 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 2xhh s ALA 40 CO -0.01 -0.46 -0.17 -1.12 0.00 0.00 0.00 175.76 174.00 2xhh s SER 41 N -2.94 2.05 -0.10 0.00 0.01 -1.26 -0.79 113.70 110.67 2xhh s SER 41 Ca 0.12 -0.49 -0.24 0.00 1.31 0.00 0.00 55.95 56.64 2xhh s SER 41 Cb 0.07 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.20 2xhh s SER 41 CO -0.06 0.09 0.58 0.28 0.41 0.00 0.00 173.24 174.54 2xhh s THR 42 N -0.83 0.01 -0.83 1.44 -1.32 -0.24 -4.95 115.64 108.92 2xhh s THR 42 Ca 0.04 -0.10 0.27 0.00 -1.21 0.00 0.00 61.69 60.70 2xhh s THR 42 Cb -0.08 -0.87 0.23 0.00 -1.51 0.00 0.00 72.50 70.26 2xhh s THR 42 CO 0.02 -0.05 1.76 -1.54 -2.21 0.00 0.00 174.62 172.59 2xhh n SER 43 N 1.60 0.51 -4.76 8.08 3.41 -1.26 -0.27 113.62 120.93 2xhh n SER 43 Ca -0.18 0.45 -0.37 0.00 -0.26 0.00 0.00 58.87 58.51 2xhh n SER 43 Cb 0.56 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 2xhh n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2xhh s LEU 44 N -3.90 3.94 0.00 1.04 1.43 -1.26 -4.89 118.68 115.05 2xhh s LEU 44 Ca 0.11 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2xhh s LEU 44 Cb 0.15 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 42.09 2xhh s LEU 44 CO 0.59 -1.13 0.74 0.35 0.23 0.00 0.00 176.35 177.13 2xhh n THR 45 N -0.71 0.54 -0.54 5.49 -2.24 -1.26 -4.86 114.28 110.70 2xhh n THR 45 Ca 0.09 -0.62 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 2xhh n THR 45 Cb 0.47 0.80 0.10 0.00 -2.10 0.00 0.00 70.33 69.61 2xhh n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xhh n GLY 46 N -0.27 -2.92 3.65 3.38 0.00 -1.26 -2.00 105.19 105.76 2xhh n GLY 46 Ca 0.00 -1.41 -0.48 0.00 0.00 0.00 0.00 46.02 44.13 2xhh n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2xhh n GLU 47 N -3.01 1.81 -3.27 1.61 2.13 -1.26 -2.56 120.64 116.08 2xhh n GLU 47 Ca 0.06 0.65 -0.39 0.00 0.66 0.00 0.00 57.16 58.14 2xhh n GLU 47 Cb 0.23 -2.38 -0.07 0.00 0.27 0.00 0.00 31.44 29.49 2xhh n GLU 47 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2xhh s ILE 48 N 1.01 5.12 0.01 6.31 1.01 -0.21 -0.51 121.20 133.93 2xhh s ILE 48 Ca 0.82 0.89 0.07 0.00 0.00 0.00 0.00 60.65 62.44 2xhh s ILE 48 Cb -0.78 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 2xhh s ILE 48 CO 0.42 0.18 -0.23 -0.13 0.00 0.00 0.00 174.94 175.18 2xhh s ARG 49 N 1.66 1.75 -0.33 2.79 0.52 0.65 -0.53 118.95 125.46 2xhh s ARG 49 Ca 0.23 -0.89 -0.08 0.00 -0.52 0.00 0.00 55.73 54.47 2xhh s ARG 49 Cb -0.15 -1.77 0.03 0.00 0.52 0.00 0.00 34.95 33.58 2xhh s ARG 49 CO 0.09 0.47 0.12 0.08 0.02 0.00 0.00 175.30 176.09 2xhh s VAL 50 N -0.64 4.04 -0.15 3.52 1.01 -0.49 -0.91 120.40 126.78 2xhh s VAL 50 Ca 0.09 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2xhh s VAL 50 Cb -0.09 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2xhh s VAL 50 CO 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 175.10 174.88 2xhh s ALA 51 N 1.47 2.72 -0.20 5.51 0.00 -0.07 -1.62 121.76 129.56 2xhh s ALA 51 Ca 0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 2xhh s ALA 51 Cb -0.19 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2xhh s ALA 51 CO 0.04 0.15 0.47 0.12 0.00 0.00 0.00 175.76 176.53 2xhh s PHE 52 N 0.51 3.38 0.00 0.00 5.36 0.52 -0.43 117.98 127.31 2xhh s PHE 52 Ca -0.07 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2xhh s PHE 52 Cb -0.15 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 2xhh s PHE 52 CO 0.04 -0.06 0.01 0.25 -1.46 0.00 0.00 175.22 174.00 2xhh n THR 53 N 4.45 0.00 -2.50 0.12 -2.24 -1.03 -2.10 114.28 110.98 2xhh n THR 53 Ca -0.06 -0.49 -0.18 0.00 -2.27 0.00 0.00 64.05 61.05 2xhh n THR 53 Cb 0.51 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.76 2xhh n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2xhh n ASN 54 N -0.95 3.39 -4.65 3.42 6.94 -1.26 -5.00 115.26 117.16 2xhh n ASN 54 Ca 0.00 -3.21 -0.44 0.00 -0.02 0.00 0.00 54.58 50.91 2xhh n ASN 54 Cb 0.00 -0.46 -0.01 0.00 -2.36 0.00 0.00 39.78 36.95 2xhh n ASN 54 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2xhh n ASP 55 N -0.41 2.11 -3.66 0.53 2.03 -1.26 -4.85 116.55 111.02 2xhh n ASP 55 Ca 0.27 1.19 -0.05 0.00 0.52 0.00 0.00 54.79 56.71 2xhh n ASP 55 Cb 0.78 -1.39 -0.01 0.00 -0.72 0.00 0.00 41.12 39.78 2xhh n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xhh s ALA 56 N -0.92 -1.39 -0.10 -1.67 0.00 -1.26 -5.01 121.76 111.40 2xhh s ALA 56 Ca 0.59 -0.18 -0.38 0.00 0.00 0.00 0.00 51.96 51.99 2xhh s ALA 56 Cb -0.64 0.73 -0.16 0.00 0.00 0.00 0.00 23.12 23.05 2xhh s ALA 56 CO 0.59 -1.04 1.59 2.41 0.00 0.00 0.00 175.76 179.31 2xhh n THR 57 N -0.50 0.19 -0.35 0.00 -1.04 -1.26 -1.78 114.28 109.54 2xhh n THR 57 Ca -0.05 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2xhh n THR 57 Cb 0.60 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 2xhh n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2xhh n GLY 58 N 3.50 1.11 3.71 3.41 0.00 -1.26 -5.04 105.19 110.63 2xhh n GLY 58 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2xhh n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xhh s ARG 59 N -0.44 3.82 0.02 1.61 0.52 -0.73 -4.12 118.95 119.62 2xhh s ARG 59 Ca 0.00 -0.28 -0.24 0.00 -0.52 0.00 0.00 55.73 54.69 2xhh s ARG 59 Cb 0.00 -3.21 0.05 0.00 0.52 0.00 0.00 34.95 32.31 2xhh s ARG 59 CO 0.00 0.43 0.54 -0.51 0.02 0.00 0.00 175.30 175.77 2xhh s ASP 60 N -0.05 -0.47 -0.04 0.23 1.01 -1.26 -4.60 116.67 111.49 2xhh s ASP 60 Ca 0.08 0.29 0.07 0.00 0.71 0.00 0.00 52.55 53.69 2xhh s ASP 60 Cb -0.12 0.49 -0.01 0.00 1.01 0.00 0.00 42.92 44.28 2xhh s ASP 60 CO 0.01 -0.67 -0.25 -0.69 0.21 0.00 0.00 175.17 173.77 2xhh s VAL 61 N -2.07 2.01 -0.16 -1.27 1.01 -0.02 -1.08 120.40 118.82 2xhh s VAL 61 Ca -0.07 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.86 2xhh s VAL 61 Cb -0.01 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2xhh s VAL 61 CO 0.01 0.56 -0.19 -1.58 0.00 0.00 0.00 175.10 173.90 2xhh s GLN 62 N -0.38 2.82 -0.20 2.72 0.74 -0.16 -0.39 119.66 124.83 2xhh s GLN 62 Ca 0.03 -0.77 -0.05 0.00 0.05 0.00 0.00 55.36 54.62 2xhh s GLN 62 Cb -0.12 -2.40 -0.03 0.00 1.10 0.00 0.00 33.01 31.57 2xhh s GLN 62 CO 0.01 -0.14 0.01 0.08 -0.55 0.00 0.00 175.29 174.70 2xhh s VAL 63 N 1.15 4.06 -0.10 1.34 1.01 0.50 -0.87 120.40 127.49 2xhh s VAL 63 Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2xhh s VAL 63 Cb -0.14 -2.83 -0.14 0.00 0.00 0.00 0.00 36.38 33.27 2xhh s VAL 63 CO -0.08 0.43 0.56 -0.78 0.00 0.00 0.00 175.10 175.22 2xhh h ASP 64 N 7.38 -0.07 -5.56 3.32 1.82 -1.02 -3.42 116.42 118.87 2xhh h ASP 64 Ca -0.36 -0.45 0.27 0.00 -0.39 0.00 0.00 57.03 56.11 2xhh h ASP 64 Cb 1.18 0.02 -0.11 0.00 0.68 0.00 0.00 39.33 41.10 2xhh h ASP 64 CO 0.62 0.61 0.70 -0.72 -1.61 0.00 0.00 179.24 178.84 2xhh s TYR 65 N -2.43 -0.08 0.27 0.28 -0.85 -1.21 -1.41 117.35 111.93 2xhh s TYR 65 Ca -0.11 -0.10 0.11 0.00 -0.52 0.00 0.00 57.07 56.46 2xhh s TYR 65 Cb -0.01 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.86 2xhh s TYR 65 CO 0.39 -0.48 -0.17 0.96 -1.52 0.00 0.00 175.55 174.73 2xhh s ILE 66 N -2.75 2.29 -0.14 -3.49 -4.36 -0.54 -1.09 121.20 111.12 2xhh s ILE 66 Ca 0.13 -2.34 0.01 0.00 -0.26 0.00 0.00 60.65 58.19 2xhh s ILE 66 Cb 0.02 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.45 2xhh s ILE 66 CO -0.02 -0.41 -0.17 -0.69 0.24 0.00 0.00 174.94 173.90 2xhh s VAL 67 N -2.62 1.69 -0.24 8.37 1.01 0.60 -0.30 120.40 128.90 2xhh s VAL 67 Ca 0.29 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2xhh s VAL 67 Cb -0.03 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.85 2xhh s VAL 67 CO 0.14 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.92 2xhh s VAL 68 N 1.16 2.40 -1.48 2.92 1.01 0.17 -0.79 120.40 125.79 2xhh s VAL 68 Ca -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 60.62 2xhh s VAL 68 Cb -0.14 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.01 2xhh s VAL 68 CO -0.06 0.15 0.48 0.59 0.00 0.00 0.00 175.10 176.26 2xhh n ASN 69 N 4.55 -0.94 0.00 3.32 3.02 -0.06 -1.41 115.26 123.74 2xhh n ASN 69 Ca -0.16 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 2xhh n ASN 69 Cb 0.45 -2.90 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 2xhh n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xhh n GLY 70 N -1.90 1.53 3.49 7.41 0.00 -1.26 -5.02 105.19 109.44 2xhh n GLY 70 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2xhh n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xhh s GLN 71 N -0.39 3.71 0.01 1.61 -0.21 -0.50 -5.07 119.66 118.81 2xhh s GLN 71 Ca 0.00 -0.47 -0.26 0.00 0.02 0.00 0.00 55.36 54.65 2xhh s GLN 71 Cb 0.00 -3.17 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 2xhh s GLN 71 CO 0.00 0.02 0.82 0.99 -2.12 0.00 0.00 175.29 175.01 2xhh s THR 72 N 1.01 4.82 -0.26 -0.19 2.01 -1.26 -0.65 115.64 121.11 2xhh s THR 72 Ca 0.03 1.73 0.03 0.00 0.31 0.00 0.00 61.69 63.79 2xhh s THR 72 Cb -0.14 -4.17 0.06 0.00 0.01 0.00 0.00 72.50 68.26 2xhh s THR 72 CO 0.02 0.28 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.01 2xhh s ARG 73 N 0.42 2.13 0.22 4.92 0.52 0.59 -4.99 118.95 122.76 2xhh s ARG 73 Ca 0.42 -1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 2xhh s ARG 73 Cb -0.20 -2.85 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 2xhh s ARG 73 CO 0.24 -0.58 1.18 -0.65 0.02 0.00 0.00 175.30 175.51 2xhh s GLN 74 N 1.14 4.52 0.26 3.54 -1.52 -1.26 -1.47 119.66 124.87 2xhh s GLN 74 Ca -0.08 1.88 -0.05 0.00 -1.95 0.00 0.00 55.36 55.16 2xhh s GLN 74 Cb -0.20 -3.22 0.31 0.00 -0.22 0.00 0.00 33.01 29.68 2xhh s GLN 74 CO -0.05 -0.03 1.93 0.00 -0.25 0.00 0.00 175.29 176.89 2xhh h ALA 75 N 4.80 1.30 0.00 6.09 0.00 -1.48 -1.61 119.26 128.36 2xhh h ALA 75 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2xhh h ALA 75 Cb 1.21 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2xhh h ALA 75 CO 0.72 0.63 0.00 -0.85 0.00 0.00 0.00 179.25 179.75 2xhh n GLU 76 N -4.38 0.10 0.00 0.00 0.00 -1.26 -1.73 120.64 113.37 2xhh n GLU 76 Ca 0.11 0.27 0.14 0.00 0.00 0.00 0.00 57.16 57.68 2xhh n GLU 76 Cb 0.03 -1.67 0.49 0.00 0.00 0.00 0.00 31.44 30.29 2xhh n GLU 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2xhh n ASN 77 N -1.86 1.37 -4.68 -1.84 3.02 -0.61 -4.34 115.26 106.33 2xhh n ASN 77 Ca 0.04 -1.34 -0.38 0.00 -0.03 0.00 0.00 54.58 52.87 2xhh n ASN 77 Cb 0.25 0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 2xhh n ASN 77 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2xhh s GLN 78 N -2.13 4.23 0.52 3.52 -1.52 -0.71 -4.93 119.66 118.64 2xhh s GLN 78 Ca 0.34 0.34 0.31 0.00 -1.95 0.00 0.00 55.36 54.40 2xhh s GLN 78 Cb 0.21 -3.52 1.09 0.00 -0.22 0.00 0.00 33.01 30.57 2xhh s GLN 78 CO 0.38 -0.02 1.88 0.77 -0.25 0.00 0.00 175.29 178.05 2xhh h SER 79 N 7.22 0.00 -3.62 5.90 0.02 -1.88 0.38 113.55 121.56 2xhh h SER 79 Ca -0.37 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.91 2xhh h SER 79 Cb 1.16 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.46 2xhh h SER 79 CO 0.74 0.01 -0.59 -0.69 -1.14 0.00 0.00 176.83 175.16 2xhh s VAL 80 N -3.55 4.27 -0.18 2.27 1.01 -1.26 -4.23 120.40 118.74 2xhh s VAL 80 Ca 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2xhh s VAL 80 Cb 0.08 -3.20 0.08 0.00 0.00 0.00 0.00 36.38 33.34 2xhh s VAL 80 CO 0.58 0.06 0.20 0.21 0.00 0.00 0.00 175.10 176.14 2xhh s ASN 81 N 1.55 1.38 0.00 3.32 3.84 -1.26 -2.13 114.94 121.64 2xhh s ASN 81 Ca 0.03 -0.16 0.24 0.00 0.21 0.00 0.00 52.86 53.18 2xhh s ASN 81 Cb -0.17 0.30 0.31 0.00 -0.55 0.00 0.00 41.25 41.14 2xhh s ASN 81 CO 0.04 -0.31 1.33 0.35 -2.79 0.00 0.00 177.10 175.72 2xhh n THR 82 N 5.32 0.25 -0.00 -5.21 -2.24 0.32 -4.42 114.28 108.29 2xhh n THR 82 Ca -0.06 -0.62 0.01 0.00 -2.27 0.00 0.00 64.05 61.11 2xhh n THR 82 Cb 0.49 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 2xhh n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xhh n GLY 83 N 1.43 -0.17 3.76 3.38 0.00 -1.26 -2.80 105.19 109.54 2xhh n GLY 83 Ca 0.17 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2xhh n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xhh s VAL 84 N -2.23 2.63 -0.44 1.61 0.11 -1.20 -0.81 120.40 120.07 2xhh s VAL 84 Ca -0.01 0.59 -0.22 0.00 -2.93 0.00 0.00 61.98 59.41 2xhh s VAL 84 Cb 0.02 -3.38 0.02 0.00 -1.53 0.00 0.00 36.38 31.52 2xhh s VAL 84 CO 0.15 0.13 0.74 0.86 -3.33 0.00 0.00 175.10 173.64 2xhh s TRP 85 N -0.73 3.02 -0.10 1.54 -0.11 -1.26 0.39 118.94 121.70 2xhh s TRP 85 Ca 0.53 0.10 -0.19 0.00 1.22 0.00 0.00 56.10 57.77 2xhh s TRP 85 Cb -0.41 -3.55 0.04 0.00 -1.50 0.00 0.00 33.47 28.05 2xhh s TRP 85 CO 0.51 -0.94 0.45 0.00 -4.62 0.00 0.00 176.95 172.35 2xhh s ALA 86 N 3.13 -1.14 -1.52 5.86 0.00 -0.81 -4.88 121.76 122.41 2xhh s ALA 86 Ca 0.28 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 2xhh s ALA 86 Cb -0.13 -0.33 0.08 0.00 0.00 0.00 0.00 23.12 22.74 2xhh s ALA 86 CO 0.21 -0.26 0.84 -1.71 0.00 0.00 0.00 175.76 174.83 2xhh n ASN 87 N 1.92 -3.40 -3.51 0.00 5.15 -1.26 -2.39 115.26 111.75 2xhh n ASN 87 Ca -0.17 -0.86 -0.25 0.00 -0.60 0.00 0.00 54.58 52.69 2xhh n ASN 87 Cb 0.56 -3.59 0.04 0.00 -0.53 0.00 0.00 39.78 36.26 2xhh n ASN 87 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2xhh n ASN 88 N -2.85 -5.49 -3.54 1.20 5.15 -1.26 -4.96 115.26 103.52 2xhh n ASN 88 Ca -0.05 -0.53 -0.09 0.00 -0.60 0.00 0.00 54.58 53.31 2xhh n ASN 88 Cb 0.56 -4.39 -0.02 0.00 -0.53 0.00 0.00 39.78 35.41 2xhh n ASN 88 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2xhh s GLN 89 N -6.21 1.19 0.20 1.20 -2.07 -1.01 -5.12 119.66 107.85 2xhh s GLN 89 Ca 0.51 -0.50 -0.30 0.00 -1.82 0.00 0.00 55.36 53.25 2xhh s GLN 89 Cb -0.24 0.51 -0.08 0.00 -1.09 0.00 0.00 33.01 32.10 2xhh s GLN 89 CO 0.64 -0.53 1.16 0.00 -1.32 0.00 0.00 175.29 175.24 2xhh n GLY 91 N 1.95 -0.12 0.21 0.00 0.00 0.16 -4.82 105.19 102.58 2xhh n GLY 91 Ca 0.03 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.13 2xhh n GLY 91 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2xhh h GLY 92 N -1.59 0.00 -4.08 -0.02 0.00 -1.39 -3.45 103.07 92.53 2xhh h GLY 92 Ca -0.39 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2xhh h GLY 92 CO 0.39 0.00 -0.16 -0.45 0.00 0.00 0.00 176.54 176.33 2xhh s SER 93 N -5.25 -0.27 0.89 0.19 0.15 -1.26 -4.78 113.70 103.36 2xhh s SER 93 Ca 0.04 0.09 -0.10 0.00 0.70 0.00 0.00 55.95 56.67 2xhh s SER 93 Cb 0.09 0.38 0.19 0.00 -1.71 0.00 0.00 66.02 64.97 2xhh s SER 93 CO 0.52 -0.57 1.21 -0.83 1.20 0.00 0.00 173.24 174.78 2xhh s GLY 94 N -1.65 1.79 -1.18 9.45 0.00 -1.26 -4.40 107.32 110.06 2xhh s GLY 94 Ca -0.09 -1.49 -0.00 0.00 0.00 0.00 0.00 44.72 43.13 2xhh s GLY 94 CO 0.02 -0.76 0.98 0.70 0.00 0.00 0.00 173.10 174.04 2xhh n ASN 95 N -3.45 -2.28 -4.06 1.64 4.13 0.12 -4.97 115.26 106.39 2xhh n ASN 95 Ca 0.16 -0.60 -0.17 0.00 1.68 0.00 0.00 54.58 55.65 2xhh n ASN 95 Cb 0.60 -5.00 -0.13 0.00 -1.54 0.00 0.00 39.78 33.70 2xhh n ASN 95 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2xhh s SER 96 N -4.27 1.12 0.24 6.41 0.15 -1.26 -4.80 113.70 111.30 2xhh s SER 96 Ca 0.03 -0.37 0.25 0.00 0.70 0.00 0.00 55.95 56.57 2xhh s SER 96 Cb -0.01 -0.06 0.89 0.00 -1.71 0.00 0.00 66.02 65.13 2xhh s SER 96 CO 0.71 -0.02 1.75 -0.62 1.20 0.00 0.00 173.24 176.26 2xhh n GLU 97 N 2.13 0.24 -3.65 5.44 1.02 -1.26 -4.42 120.64 120.14 2xhh n GLU 97 Ca -0.18 0.32 -0.37 0.00 -0.02 0.00 0.00 57.16 56.91 2xhh n GLU 97 Cb 0.56 -1.85 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 2xhh n GLU 97 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2xhh s TRP 98 N -3.21 3.66 -0.30 -0.32 0.52 -1.26 -0.37 118.94 117.65 2xhh s TRP 98 Ca 0.08 0.78 0.03 0.00 0.02 0.00 0.00 56.10 57.01 2xhh s TRP 98 Cb 0.11 -2.16 0.08 0.00 -1.15 0.00 0.00 33.47 30.35 2xhh s TRP 98 CO 0.51 0.65 -0.01 -0.51 0.02 0.00 0.00 176.95 177.61 2xhh s LEU 99 N -0.93 3.95 -0.21 2.99 1.43 0.48 -3.21 118.68 123.19 2xhh s LEU 99 Ca 0.20 -1.78 -0.21 0.00 -1.03 0.00 0.00 54.13 51.31 2xhh s LEU 99 Cb -0.15 -1.51 -0.19 0.00 0.03 0.00 0.00 46.19 44.37 2xhh s LEU 99 CO 0.09 -0.30 0.18 1.41 0.23 0.00 0.00 176.35 177.96 2xhh n HIS 100 N 4.39 0.97 -2.50 0.29 8.25 -0.56 -0.84 115.22 125.21 2xhh n HIS 100 Ca -0.04 0.41 -0.26 0.00 -0.26 0.00 0.00 57.72 57.57 2xhh n HIS 100 Cb 0.42 -1.10 0.03 0.00 1.12 0.00 0.00 29.99 30.46 2xhh n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xhh n ASN 102 N -2.48 2.76 0.00 0.00 3.02 -1.26 -4.61 115.26 112.69 2xhh n ASN 102 Ca 0.04 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 2xhh n ASN 102 Cb 0.57 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 2xhh n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xhh n GLY 103 N 2.76 -1.01 3.22 7.41 0.00 -0.89 -4.60 105.19 112.08 2xhh n GLY 103 Ca 0.15 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 2xhh n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2xhh s TYR 104 N -3.00 0.17 -0.18 1.61 -0.85 -1.26 -0.36 117.35 113.48 2xhh s TYR 104 Ca 0.00 -0.60 -0.07 0.00 -0.52 0.00 0.00 57.07 55.89 2xhh s TYR 104 Cb 0.00 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 2xhh s TYR 104 CO 0.00 -0.56 0.05 0.42 -1.52 0.00 0.00 175.55 173.94 2xhh s ILE 105 N -3.87 4.62 -0.13 -3.49 1.01 -0.64 -0.52 121.20 118.18 2xhh s ILE 105 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 2xhh s ILE 105 Cb 0.05 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 2xhh s ILE 105 CO -0.10 0.46 0.34 -0.55 0.00 0.00 0.00 174.94 175.09 2xhh s SER 106 N 0.42 6.54 -0.00 3.58 0.15 -0.90 -1.40 113.70 122.08 2xhh s SER 106 Ca 0.02 0.63 0.14 0.00 0.70 0.00 0.00 55.95 57.44 2xhh s SER 106 Cb -0.13 -2.21 0.40 0.00 -1.71 0.00 0.00 66.02 62.37 2xhh s SER 106 CO 0.01 0.12 1.33 0.49 1.20 0.00 0.00 173.24 176.39 2xhh n PHE 107 N 3.30 0.60 0.00 3.44 3.72 0.30 -4.55 117.46 124.27 2xhh n PHE 107 Ca -0.11 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 2xhh n PHE 107 Cb 0.52 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2xhh n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xhh n GLY 108 N 0.81 -0.93 3.66 1.37 0.00 -1.25 -4.85 105.19 104.00 2xhh n GLY 108 Ca 0.15 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 2xhh n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xhh n ASN 109 N -1.65 0.83 -0.12 1.61 4.13 -1.26 -1.05 115.26 117.75 2xhh n ASN 109 Ca 0.00 0.60 -0.07 0.00 1.68 0.00 0.00 54.58 56.79 2xhh n ASN 109 Cb 0.00 -1.48 0.01 0.00 -1.54 0.00 0.00 39.78 36.77 2xhh n ASN 109 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2xhh h VAL 110 N -0.73 1.05 -3.63 2.41 2.07 -1.12 -3.40 116.25 112.90 2xhh h VAL 110 Ca -0.47 -0.16 -0.63 0.00 0.82 0.00 0.00 66.70 66.26 2xhh h VAL 110 Cb 1.31 0.54 -0.18 0.00 -1.52 0.00 0.00 31.29 31.44 2xhh h VAL 110 CO 0.46 0.09 -0.56 -0.55 0.02 0.00 0.00 177.57 177.03 2xhh s SER 111 N -5.50 5.69 0.34 0.57 0.15 -1.26 -4.96 113.70 108.73 2xhh s SER 111 Ca -0.13 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.58 2xhh s SER 111 Cb 0.11 -2.02 -0.05 0.00 -1.71 0.00 0.00 66.02 62.35 2xhh s SER 111 CO 0.72 0.03 0.04 -0.76 1.20 0.00 0.00 173.24 174.47 2xhh s LEU 112 N 1.27 3.05 0.01 3.45 1.43 -1.26 -4.95 118.68 121.69 2xhh s LEU 112 Ca 0.06 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 2xhh s LEU 112 Cb -0.14 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2xhh s LEU 112 CO 0.05 -0.24 -0.04 -0.70 0.23 0.00 0.00 176.35 175.65 2xhh s GLU 113 N -3.74 0.29 -0.19 1.70 2.12 -1.26 -0.80 118.70 116.82 2xhh s GLU 113 Ca 0.35 -0.38 -0.08 0.00 0.36 0.00 0.00 54.97 55.22 2xhh s GLU 113 Cb -0.01 -0.11 0.08 0.00 0.26 0.00 0.00 34.13 34.35 2xhh s GLU 113 CO 0.20 0.02 0.42 -1.58 -0.54 0.00 0.00 175.26 173.78 2xhh s HIS 114 N -0.75 -0.71 -1.58 5.30 2.46 -0.09 -4.94 115.29 114.98 2xhh s HIS 114 Ca -0.06 1.43 -0.10 0.00 0.47 0.00 0.00 55.06 56.79 2xhh s HIS 114 Cb -0.05 0.29 0.08 0.00 -0.13 0.00 0.00 32.58 32.77 2xhh s HIS 114 CO -0.00 -0.42 0.56 0.72 -2.47 0.00 0.00 174.74 173.13 2xhh n HIS 115 N 4.86 -1.64 -1.08 3.88 8.25 -1.26 -0.56 115.22 127.67 2xhh n HIS 115 Ca -0.15 0.76 -0.03 0.00 -0.26 0.00 0.00 57.72 58.03 2xhh n HIS 115 Cb 0.52 -3.21 -0.01 0.00 1.12 0.00 0.00 29.99 28.41 2xhh n HIS 115 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2xhh n HIS 116 N -4.41 0.00 -3.58 4.41 -0.00 -1.26 -4.99 115.22 105.40 2xhh n HIS 116 Ca -0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.23 2xhh n HIS 116 Cb 0.59 -1.40 -0.06 0.00 -0.00 0.00 0.00 29.99 29.11 2xhh n HIS 116 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2xhh s HIS 117 N -1.65 3.60 -0.16 4.41 3.76 0.28 -5.08 115.29 120.45 2xhh s HIS 117 Ca 0.00 0.75 -0.02 0.00 -0.15 0.00 0.00 55.06 55.64 2xhh s HIS 117 Cb 0.00 -2.25 -0.02 0.00 1.11 0.00 0.00 32.58 31.42 2xhh s HIS 117 CO 0.00 0.49 -0.07 -1.01 -0.85 0.00 0.00 174.74 173.30 2xhh s HIS 118 N -0.42 2.94 0.00 1.40 0.09 -1.26 -0.91 115.29 117.12 2xhh s HIS 118 Ca 0.20 -0.52 0.00 0.00 -0.00 0.00 0.00 55.06 54.74 2xhh s HIS 118 Cb -0.14 -1.94 0.00 0.00 -0.00 0.00 0.00 32.58 30.49 2xhh s HIS 118 CO 0.08 -0.18 0.02 -2.39 -0.00 0.00 0.00 174.74 172.27