#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rtr h GLU 14 N 0.00 0.65 -0.07 0.00 -0.00 -1.92 -3.02 114.58 110.22 2rtr h GLU 14 Ca 0.00 -0.36 -0.02 0.00 -0.00 0.00 0.00 59.36 58.99 2rtr h GLU 14 Cb 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.76 2rtr h GLU 14 CO 0.00 0.96 -0.04 0.00 -0.00 0.00 0.00 179.01 179.93 2rtr h ALA 15 N 0.68 1.80 -0.45 1.06 0.00 -1.91 0.15 119.26 120.57 2rtr h ALA 15 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2rtr h ALA 15 Cb 0.86 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2rtr h ALA 15 CO 0.07 0.15 0.03 0.78 0.00 0.00 0.00 179.25 180.28 2rtr h GLY 16 N 0.34 0.85 0.94 0.00 0.00 -1.97 -3.16 103.07 100.07 2rtr h GLY 16 Ca 0.02 -0.60 -0.19 0.00 0.00 0.00 0.00 47.33 46.56 2rtr h GLY 16 CO 0.01 0.56 -0.74 -2.22 0.00 0.00 0.00 176.54 174.14 2rtr h ILE 17 N 0.64 1.37 -2.44 2.60 2.04 -1.32 -3.45 117.51 116.95 2rtr h ILE 17 Ca 0.13 -2.11 -0.57 0.00 1.00 0.00 0.00 64.86 63.31 2rtr h ILE 17 Cb 0.46 2.48 0.06 0.00 -0.74 0.00 0.00 36.82 39.08 2rtr h ILE 17 CO 0.02 0.63 0.79 0.41 0.00 0.00 0.00 178.15 180.00 2rtr n THR 18 N -4.10 0.23 -1.52 -0.27 -1.04 0.45 -4.81 114.28 103.22 2rtr n THR 18 Ca -0.10 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2rtr n THR 18 Cb 0.74 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 2rtr n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rtr n GLY 19 N 3.17 0.15 3.63 3.41 0.00 -0.64 -4.61 105.19 110.30 2rtr n GLY 19 Ca 0.15 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 2rtr n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rtr s THR 20 N -2.48 4.65 0.13 2.61 2.01 0.49 -1.52 115.64 121.54 2rtr s THR 20 Ca 0.00 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 61.96 2rtr s THR 20 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2rtr s THR 20 CO 0.00 0.48 -0.12 0.26 -0.69 0.00 0.00 174.62 174.55 2rtr s TRP 21 N 0.23 1.33 0.03 4.92 0.52 -0.15 -0.57 118.94 125.26 2rtr s TRP 21 Ca 0.03 -0.63 -0.02 0.00 0.02 0.00 0.00 56.10 55.50 2rtr s TRP 21 Cb -0.13 -0.69 -0.02 0.00 -1.15 0.00 0.00 33.47 31.49 2rtr s TRP 21 CO 0.01 0.12 -0.00 1.52 0.02 0.00 0.00 176.95 178.62 2rtr s TYR 22 N -2.62 0.30 0.51 -1.98 -0.85 -0.48 -1.13 117.35 111.11 2rtr s TYR 22 Ca 0.12 -0.63 0.04 0.00 -0.52 0.00 0.00 57.07 56.07 2rtr s TYR 22 Cb -0.02 -0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.10 2rtr s TYR 22 CO 0.02 -0.27 0.18 0.54 -1.52 0.00 0.00 175.55 174.50 2rtr s ASN 23 N -1.90 4.35 0.61 -0.18 2.20 -1.03 -0.82 114.94 118.17 2rtr s ASN 23 Ca -0.09 -1.43 0.35 0.00 -0.94 0.00 0.00 52.86 50.74 2rtr s ASN 23 Cb -0.04 0.36 1.88 0.00 -2.00 0.00 0.00 41.25 41.45 2rtr s ASN 23 CO -0.04 -0.91 2.05 0.06 -2.94 0.00 0.00 177.10 175.32 2rtr h GLN 24 N 1.13 0.00 -0.01 3.55 -0.00 -1.91 -0.34 115.11 117.54 2rtr h GLN 24 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 2rtr h GLN 24 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 2rtr h GLN 24 CO 0.67 0.00 -0.31 1.28 -0.00 0.00 0.00 178.83 180.47 2rtr n LEU 25 N -2.85 1.01 0.00 0.06 4.77 -1.26 -4.94 117.00 113.79 2rtr n LEU 25 Ca -0.02 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2rtr n LEU 25 Cb 0.20 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2rtr n LEU 25 CO 0.15 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2rtr n GLY 26 N 1.37 0.83 3.86 -0.72 0.00 -0.14 -4.72 105.19 105.66 2rtr n GLY 26 Ca 0.11 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2rtr n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtr s SER 27 N -2.08 6.61 -0.11 1.61 0.01 -1.26 -4.54 113.70 113.94 2rtr s SER 27 Ca 0.00 1.36 -0.01 0.00 1.31 0.00 0.00 55.95 58.61 2rtr s SER 27 Cb 0.00 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2rtr s SER 27 CO 0.00 -0.46 -0.05 -0.89 0.41 0.00 0.00 173.24 172.25 2rtr s THR 28 N -2.44 3.86 -0.12 1.44 2.01 0.26 -2.45 115.64 118.20 2rtr s THR 28 Ca 0.55 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 2rtr s THR 28 Cb -0.10 -2.63 0.04 0.00 0.01 0.00 0.00 72.50 69.82 2rtr s THR 28 CO 0.29 0.56 -0.01 0.12 -0.69 0.00 0.00 174.62 174.89 2rtr s PHE 29 N -0.35 1.04 -0.24 4.92 5.36 -0.28 -1.00 117.98 127.43 2rtr s PHE 29 Ca 0.06 -0.57 -0.05 0.00 -0.96 0.00 0.00 56.93 55.40 2rtr s PHE 29 Cb -0.12 -1.00 -0.01 0.00 -0.34 0.00 0.00 43.02 41.54 2rtr s PHE 29 CO 0.02 -0.47 0.00 0.42 -1.46 0.00 0.00 175.22 173.73 2rtr s ILE 30 N 1.85 3.69 0.06 3.12 -1.09 0.19 -0.98 121.20 128.05 2rtr s ILE 30 Ca 0.03 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 2rtr s ILE 30 Cb -0.14 -2.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 2rtr s ILE 30 CO -0.07 0.36 -0.08 0.54 -1.23 0.00 0.00 174.94 174.46 2rtr s VAL 31 N 1.52 0.64 -0.11 2.92 0.11 -0.57 -1.22 120.40 123.69 2rtr s VAL 31 Ca 0.06 -1.25 0.02 0.00 -2.93 0.00 0.00 61.98 57.88 2rtr s VAL 31 Cb -0.15 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 2rtr s VAL 31 CO -0.01 -0.44 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.27 2rtr s THR 32 N -1.73 1.54 -0.37 5.04 2.01 0.29 -1.62 115.64 120.80 2rtr s THR 32 Ca -0.05 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 2rtr s THR 32 Cb -0.08 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.04 2rtr s THR 32 CO -0.00 0.45 0.43 0.00 -0.69 0.00 0.00 174.62 174.81 2rtr s ALA 33 N 0.90 3.47 0.66 7.40 0.00 -1.26 -2.44 121.76 130.48 2rtr s ALA 33 Ca -0.08 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 2rtr s ALA 33 Cb -0.15 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2rtr s ALA 33 CO -0.00 -1.28 1.05 0.20 0.00 0.00 0.00 175.76 175.73 2rtr s GLY 34 N 1.77 1.66 0.53 0.00 0.00 0.53 -4.75 107.32 107.05 2rtr s GLY 34 Ca 0.14 -0.08 0.30 0.00 0.00 0.00 0.00 44.72 45.08 2rtr s GLY 34 CO 0.13 0.21 2.05 0.00 0.00 0.00 0.00 173.10 175.49 2rtr h ALA 35 N -0.49 1.14 -0.14 3.20 0.00 -1.98 -2.51 119.26 118.49 2rtr h ALA 35 Ca -0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2rtr h ALA 35 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2rtr h ALA 35 CO 0.61 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 2rtr n ASP 36 N -3.42 0.92 0.00 0.00 5.75 -1.26 -4.86 116.55 113.69 2rtr n ASP 36 Ca -0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 2rtr n ASP 36 Cb 0.27 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2rtr n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rtr n GLY 37 N 0.64 0.76 3.87 6.12 0.00 -0.95 -4.98 105.19 110.65 2rtr n GLY 37 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2rtr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtr s ALA 38 N -2.21 3.46 -0.06 4.61 0.00 -1.24 -1.68 121.76 124.64 2rtr s ALA 38 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.79 2rtr s ALA 38 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.56 2rtr s ALA 38 CO 0.00 0.34 -0.13 -0.51 0.00 0.00 0.00 175.76 175.46 2rtr s LEU 39 N -3.12 1.73 0.04 0.00 1.43 -0.12 -0.35 118.68 118.29 2rtr s LEU 39 Ca 0.50 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2rtr s LEU 39 Cb -0.11 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 2rtr s LEU 39 CO 0.23 0.07 0.08 0.42 0.23 0.00 0.00 176.35 177.37 2rtr s THR 40 N 0.47 0.14 -4.58 5.49 -4.23 -1.02 -1.28 115.64 110.62 2rtr s THR 40 Ca -0.11 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 2rtr s THR 40 Cb -0.14 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.82 2rtr s THR 40 CO 0.03 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 2rtr n GLY 41 N 0.79 -0.51 2.99 3.99 0.00 -1.11 -0.54 105.19 110.79 2rtr n GLY 41 Ca -0.19 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 2rtr n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rtr s THR 42 N -3.65 0.14 -0.05 2.61 -4.23 -0.36 -1.77 115.64 108.33 2rtr s THR 42 Ca 0.00 -0.94 0.06 0.00 -1.18 0.00 0.00 61.69 59.62 2rtr s THR 42 Cb 0.00 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.52 2rtr s THR 42 CO 0.00 -0.51 -0.23 -0.47 -0.54 0.00 0.00 174.62 172.88 2rtr s TYR 43 N -1.52 2.22 -0.23 3.99 6.14 -0.02 -0.63 117.35 127.31 2rtr s TYR 43 Ca -0.15 -0.66 0.00 0.00 0.64 0.00 0.00 57.07 56.90 2rtr s TYR 43 Cb -0.10 -1.47 0.06 0.00 0.42 0.00 0.00 41.96 40.88 2rtr s TYR 43 CO -0.01 -0.20 -0.05 -2.00 0.64 0.00 0.00 175.55 173.93 2rtr s GLU 44 N -0.10 1.54 0.06 4.97 2.12 -0.17 -0.40 118.70 126.71 2rtr s GLU 44 Ca -0.04 -0.92 -0.15 0.00 0.36 0.00 0.00 54.97 54.22 2rtr s GLU 44 Cb -0.13 -2.52 -0.06 0.00 0.26 0.00 0.00 34.13 31.67 2rtr s GLU 44 CO 0.03 -0.59 0.47 0.45 -0.54 0.00 0.00 175.26 175.08 2rtr s SER 45 N 1.44 6.85 0.00 -1.70 0.15 -1.26 -0.57 113.70 118.62 2rtr s SER 45 Ca -0.05 1.04 0.26 0.00 0.70 0.00 0.00 55.95 57.89 2rtr s SER 45 Cb -0.19 -2.27 0.62 0.00 -1.71 0.00 0.00 66.02 62.47 2rtr s SER 45 CO -0.06 0.25 1.49 0.00 1.20 0.00 0.00 173.24 176.12 2rtr n ALA 46 N 1.49 3.35 -2.36 5.45 0.00 -1.26 -4.85 120.51 122.32 2rtr n ALA 46 Ca -0.11 -0.36 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 2rtr n ALA 46 Cb 0.52 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 2rtr n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2rtr s VAL 47 N -2.82 0.51 0.01 0.00 -7.23 -1.26 -5.05 120.40 104.56 2rtr s VAL 47 Ca 0.16 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2rtr s VAL 47 Cb 0.18 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2rtr s VAL 47 CO 0.63 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 2rtr n GLY 48 N -0.58 -1.82 3.45 2.32 0.00 -1.26 -4.38 105.19 102.92 2rtr n GLY 48 Ca -0.00 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 2rtr n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rtr n ASN 49 N -0.21 5.08 -3.70 1.61 5.15 -1.26 -4.85 115.26 117.08 2rtr n ASN 49 Ca 0.00 -2.96 -0.12 0.00 -0.60 0.00 0.00 54.58 50.90 2rtr n ASN 49 Cb 0.01 -1.63 -0.12 0.00 -0.53 0.00 0.00 39.78 37.51 2rtr n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rtr s ALA 50 N 2.48 -0.74 -0.04 5.20 0.00 -1.26 -4.47 121.76 122.93 2rtr s ALA 50 Ca 0.47 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.60 2rtr s ALA 50 Cb 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2rtr s ALA 50 CO 0.03 -0.33 0.02 -1.83 0.00 0.00 0.00 175.76 173.65 2rtr s GLU 51 N 1.59 0.25 2.22 0.00 -1.05 -1.26 -4.88 118.70 115.56 2rtr s GLU 51 Ca -0.07 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 2rtr s GLU 51 Cb -0.10 -0.60 0.00 0.00 -0.44 0.00 0.00 34.13 32.99 2rtr s GLU 51 CO -0.10 -0.24 0.00 0.45 0.95 0.00 0.00 175.26 176.32 2rtr n SER 52 N 4.74 -0.34 -4.86 0.83 2.88 -1.26 -4.74 113.62 110.88 2rtr n SER 52 Ca -0.15 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.07 2rtr n SER 52 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 2rtr n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rtr s ARG 53 N 0.00 3.92 0.04 -1.46 0.52 -1.26 -4.40 118.95 116.31 2rtr s ARG 53 Ca 0.00 0.48 0.05 0.00 -0.52 0.00 0.00 55.73 55.74 2rtr s ARG 53 Cb 0.00 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.84 2rtr s ARG 53 CO 0.00 0.28 -0.14 0.71 0.02 0.00 0.00 175.30 176.17 2rtr s TYR 54 N -1.82 1.24 0.27 -0.53 2.02 0.46 -4.83 117.35 114.16 2rtr s TYR 54 Ca 0.49 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.54 2rtr s TYR 54 Cb -0.12 -0.74 -0.09 0.00 -0.40 0.00 0.00 41.96 40.61 2rtr s TYR 54 CO 0.19 0.03 1.08 0.08 -1.57 0.00 0.00 175.55 175.37 2rtr s VAL 55 N -0.84 3.56 0.08 0.71 1.01 -1.26 -0.84 120.40 122.83 2rtr s VAL 55 Ca 0.02 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.63 2rtr s VAL 55 Cb -0.08 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2rtr s VAL 55 CO 0.01 0.37 -0.19 -1.48 0.00 0.00 0.00 175.10 173.81 2rtr s LEU 56 N -1.36 2.26 0.01 3.92 0.05 -0.73 -4.37 118.68 118.47 2rtr s LEU 56 Ca 0.44 -0.63 -0.00 0.00 0.05 0.00 0.00 54.13 54.00 2rtr s LEU 56 Cb -0.31 -0.81 -0.01 0.00 -2.05 0.00 0.00 46.19 43.00 2rtr s LEU 56 CO 0.40 0.05 -0.02 0.28 -0.55 0.00 0.00 176.35 176.51 2rtr s THR 57 N -1.09 0.06 0.11 5.48 -1.32 -1.11 -2.77 115.64 115.00 2rtr s THR 57 Ca 0.05 -0.53 -0.08 0.00 -1.21 0.00 0.00 61.69 59.91 2rtr s THR 57 Cb -0.10 -0.16 0.03 0.00 -1.51 0.00 0.00 72.50 70.77 2rtr s THR 57 CO 0.03 -0.29 0.41 0.61 -2.21 0.00 0.00 174.62 173.17 2rtr n GLY 58 N 2.21 1.18 3.03 6.08 0.00 -0.40 -0.86 105.19 116.43 2rtr n GLY 58 Ca -0.19 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 2rtr n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rtr s ARG 59 N -2.03 0.46 0.17 1.61 1.81 -0.49 -0.94 118.95 119.53 2rtr s ARG 59 Ca 0.09 -0.79 -0.05 0.00 -1.72 0.00 0.00 55.73 53.26 2rtr s ARG 59 Cb -0.02 -0.02 -0.03 0.00 -0.45 0.00 0.00 34.95 34.43 2rtr s ARG 59 CO 0.03 -0.02 0.19 1.52 -0.68 0.00 0.00 175.30 176.34 2rtr s TYR 60 N -1.92 0.76 -0.45 -0.53 1.13 -0.68 -1.75 117.35 113.91 2rtr s TYR 60 Ca -0.09 -1.09 -0.27 0.00 -1.41 0.00 0.00 57.07 54.22 2rtr s TYR 60 Cb -0.06 -0.31 0.03 0.00 -1.10 0.00 0.00 41.96 40.51 2rtr s TYR 60 CO -0.02 -0.66 0.99 0.34 -2.51 0.00 0.00 175.55 173.68 2rtr s ASP 61 N -3.05 6.58 0.00 -0.18 2.15 -0.44 -4.66 116.67 117.05 2rtr s ASP 61 Ca 0.26 0.31 0.28 0.00 0.43 0.00 0.00 52.55 53.83 2rtr s ASP 61 Cb 0.05 -2.48 1.51 0.00 -0.30 0.00 0.00 42.92 41.70 2rtr s ASP 61 CO 0.05 -1.07 1.99 -1.54 -0.17 0.00 0.00 175.17 174.43 2rtr n SER 62 N 7.28 0.42 -3.20 -0.34 3.41 -1.26 -3.98 113.62 115.95 2rtr n SER 62 Ca 0.08 -1.22 -0.23 0.00 -0.26 0.00 0.00 58.87 57.24 2rtr n SER 62 Cb 0.49 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 2rtr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rtr n ALA 63 N -0.63 2.58 -1.33 7.33 0.00 -1.26 -4.79 120.51 122.40 2rtr n ALA 63 Ca 0.21 -3.61 -0.30 0.00 0.00 0.00 0.00 53.44 49.74 2rtr n ALA 63 Cb 0.17 -0.85 0.23 0.00 0.00 0.00 0.00 19.45 18.99 2rtr n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rtr s PRO 64 N -1.83 -0.77 0.25 0.00 0.04 -1.26 -5.01 135.00 126.41 2rtr s PRO 64 Ca 0.38 -0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.92 2rtr s PRO 64 Cb 0.23 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 33.02 2rtr s PRO 64 CO -0.09 -3.39 0.99 0.00 0.04 0.00 0.00 177.00 174.55 2rtr s ALA 65 N -3.27 3.36 -2.00 8.56 0.00 -1.26 -4.94 121.76 122.20 2rtr s ALA 65 Ca 0.72 0.71 0.04 0.00 0.00 0.00 0.00 51.96 53.43 2rtr s ALA 65 Cb -0.07 -3.25 0.23 0.00 0.00 0.00 0.00 23.12 20.03 2rtr s ALA 65 CO 0.55 0.08 0.63 0.25 0.00 0.00 0.00 175.76 177.27 2rtr n THR 66 N 1.42 0.00 -2.63 0.00 -2.24 -1.26 -4.43 114.28 105.15 2rtr n THR 66 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2rtr n THR 66 Cb 0.46 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2rtr n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2rtr n ASP 67 N -0.65 0.71 -1.58 3.42 5.68 -1.26 -4.98 116.55 117.88 2rtr n ASP 67 Ca 0.03 -0.28 -0.07 0.00 -0.50 0.00 0.00 54.79 53.97 2rtr n ASP 67 Cb 0.01 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.02 2rtr n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rtr n GLY 68 N 5.00 3.06 3.85 6.12 0.00 -1.26 -4.92 105.19 117.04 2rtr n GLY 68 Ca 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2rtr n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtr s SER 69 N 1.02 6.77 0.95 1.61 0.01 -1.26 -5.08 113.70 117.72 2rtr s SER 69 Ca 0.13 1.20 -0.14 0.00 1.31 0.00 0.00 55.95 58.46 2rtr s SER 69 Cb 0.11 -2.34 0.16 0.00 0.21 0.00 0.00 66.02 64.16 2rtr s SER 69 CO 0.00 -0.13 1.16 -0.83 0.41 0.00 0.00 173.24 173.85 2rtr s GLY 70 N -2.19 1.60 -0.25 3.44 0.00 -1.26 -4.82 107.32 103.84 2rtr s GLY 70 Ca 0.51 -0.67 -0.09 0.00 0.00 0.00 0.00 44.72 44.46 2rtr s GLY 70 CO 0.19 -0.05 0.11 -1.59 0.00 0.00 0.00 173.10 171.76 2rtr s THR 71 N -3.34 4.77 0.33 0.90 2.01 -0.18 -4.76 115.64 115.36 2rtr s THR 71 Ca 0.66 -0.02 -0.27 0.00 0.31 0.00 0.00 61.69 62.37 2rtr s THR 71 Cb -0.12 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 2rtr s THR 71 CO 0.53 0.33 1.08 0.00 -0.69 0.00 0.00 174.62 175.88 2rtr s ALA 72 N 1.43 3.28 0.29 7.40 0.00 -1.26 -0.93 121.76 131.98 2rtr s ALA 72 Ca 0.06 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 2rtr s ALA 72 Cb -0.15 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2rtr s ALA 72 CO 0.06 -0.19 0.68 -0.48 0.00 0.00 0.00 175.76 175.82 2rtr s LEU 73 N -1.91 -0.08 -0.01 0.00 -0.00 -0.63 -1.33 118.68 114.71 2rtr s LEU 73 Ca 0.50 -0.78 -0.28 0.00 -0.00 0.00 0.00 54.13 53.56 2rtr s LEU 73 Cb -0.28 2.55 0.10 0.00 -0.00 0.00 0.00 46.19 48.55 2rtr s LEU 73 CO 0.36 -1.37 0.83 -0.83 -0.00 0.00 0.00 176.35 175.34 2rtr s GLY 74 N -2.97 -0.47 0.15 -3.48 0.00 -0.72 -1.91 107.32 97.92 2rtr s GLY 74 Ca 0.14 1.17 -0.17 0.00 0.00 0.00 0.00 44.72 45.86 2rtr s GLY 74 CO 0.09 0.53 0.47 0.66 0.00 0.00 0.00 173.10 174.84 2rtr s TRP 75 N -2.56 -0.21 0.05 1.90 -2.14 -0.80 -1.40 118.94 113.78 2rtr s TRP 75 Ca 0.01 -0.10 0.08 0.00 2.66 0.00 0.00 56.10 58.75 2rtr s TRP 75 Cb -0.01 0.34 -0.03 0.00 -3.10 0.00 0.00 33.47 30.68 2rtr s TRP 75 CO -0.05 -0.79 -0.22 0.99 -2.66 0.00 0.00 176.95 174.22 2rtr s THR 76 N -3.82 1.75 -0.09 0.66 2.01 -0.04 -0.56 115.64 115.56 2rtr s THR 76 Ca 0.05 -1.28 0.01 0.00 0.31 0.00 0.00 61.69 60.78 2rtr s THR 76 Cb 0.01 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 71.01 2rtr s THR 76 CO -0.09 0.19 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.26 2rtr s VAL 77 N -0.85 0.96 -0.20 3.82 1.01 -0.41 -2.76 120.40 121.97 2rtr s VAL 77 Ca 0.08 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2rtr s VAL 77 Cb -0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2rtr s VAL 77 CO 0.02 0.34 0.33 0.00 0.00 0.00 0.00 175.10 175.79 2rtr s ALA 78 N 1.27 3.57 -1.23 5.51 0.00 -1.26 -1.28 121.76 128.34 2rtr s ALA 78 Ca -0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 2rtr s ALA 78 Cb -0.14 -2.52 -0.13 0.00 0.00 0.00 0.00 23.12 20.33 2rtr s ALA 78 CO -0.03 -0.19 3.10 0.91 0.00 0.00 0.00 175.76 179.55 2rtr n TRP 79 N 4.24 1.83 -4.20 0.00 7.02 0.06 -4.76 117.44 121.62 2rtr n TRP 79 Ca -0.10 -2.70 -0.22 0.00 -1.02 0.00 0.00 57.50 53.46 2rtr n TRP 79 Cb 0.51 -2.27 -0.17 0.00 -2.42 0.00 0.00 31.31 26.97 2rtr n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2rtr s LYS 80 N 1.93 1.04 0.00 -0.99 2.20 -1.26 -0.81 119.74 121.85 2rtr s LYS 80 Ca 0.68 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 2rtr s LYS 80 Cb 0.21 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.51 2rtr s LYS 80 CO -0.05 -0.09 0.00 0.27 -0.36 0.00 0.00 175.35 175.12 2rtr n ASN 81 N 4.15 0.24 0.00 1.43 0.23 0.21 -4.77 115.26 116.75 2rtr n ASN 81 Ca -0.22 -0.36 0.12 0.00 -0.53 0.00 0.00 54.58 53.59 2rtr n ASN 81 Cb 0.51 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.78 2rtr n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2rtr n ASN 82 N -1.01 0.00 -0.06 0.53 5.03 -1.26 -3.77 115.26 114.72 2rtr n ASN 82 Ca 0.00 0.32 -0.06 0.00 0.87 0.00 0.00 54.58 55.70 2rtr n ASN 82 Cb 0.00 -0.43 -0.09 0.00 -1.02 0.00 0.00 39.78 38.24 2rtr n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2rtr n TYR 83 N -1.43 0.00 -3.92 3.10 4.01 -1.26 -5.06 117.16 112.60 2rtr n TYR 83 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.73 2rtr n TYR 83 Cb 0.26 -0.58 -0.09 0.00 -0.31 0.00 0.00 39.34 38.63 2rtr n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rtr s ARG 84 N -2.28 0.69 -0.21 -0.72 0.52 -1.25 -5.07 118.95 110.63 2rtr s ARG 84 Ca -0.07 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.22 2rtr s ARG 84 Cb 0.04 0.27 0.09 0.00 0.52 0.00 0.00 34.95 35.87 2rtr s ARG 84 CO 0.47 -0.19 0.19 1.21 0.02 0.00 0.00 175.30 177.01 2rtr s ASN 85 N -2.50 1.73 0.00 0.23 3.84 -1.26 -0.62 114.94 116.36 2rtr s ASN 85 Ca 0.00 -0.41 0.27 0.00 0.21 0.00 0.00 52.86 52.94 2rtr s ASN 85 Cb 0.02 0.22 0.93 0.00 -0.55 0.00 0.00 41.25 41.88 2rtr s ASN 85 CO -0.08 -0.34 1.67 0.00 -2.79 0.00 0.00 177.10 175.56 2rtr n ALA 86 N 5.31 2.89 -3.78 1.71 0.00 0.01 -4.97 120.51 121.68 2rtr n ALA 86 Ca -0.06 -0.39 -0.24 0.00 0.00 0.00 0.00 53.44 52.76 2rtr n ALA 86 Cb 0.49 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.78 2rtr n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rtr n HIS 87 N -0.50 -1.95 -3.73 0.00 -0.00 -1.26 -4.87 115.22 102.90 2rtr n HIS 87 Ca 0.14 0.84 -0.10 0.00 -0.00 0.00 0.00 57.72 58.61 2rtr n HIS 87 Cb 0.33 -4.22 -0.05 0.00 -0.00 0.00 0.00 29.99 26.05 2rtr n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2rtr s SER 88 N -4.15 -0.16 -0.04 0.41 1.04 -1.26 -1.25 113.70 108.30 2rtr s SER 88 Ca 0.14 -0.47 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 2rtr s SER 88 Cb -0.07 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2rtr s SER 88 CO 0.83 -0.88 0.15 0.00 0.98 0.00 0.00 173.24 174.31 2rtr s ALA 89 N -3.85 -0.35 -0.04 5.32 0.00 -0.61 -0.76 121.76 121.46 2rtr s ALA 89 Ca 0.06 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.32 2rtr s ALA 89 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2rtr s ALA 89 CO -0.08 -0.12 -0.22 0.99 0.00 0.00 0.00 175.76 176.33 2rtr s THR 90 N -0.41 2.39 -0.08 0.00 2.01 -0.41 -1.12 115.64 118.03 2rtr s THR 90 Ca -0.05 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.02 2rtr s THR 90 Cb -0.03 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 2rtr s THR 90 CO 0.01 0.58 -0.22 0.42 -0.69 0.00 0.00 174.62 174.72 2rtr s THR 91 N -0.51 2.34 -0.15 -0.82 -4.23 -0.63 -1.29 115.64 110.35 2rtr s THR 91 Ca 0.07 -0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 2rtr s THR 91 Cb -0.11 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 2rtr s THR 91 CO 0.01 0.56 -0.07 0.26 -0.54 0.00 0.00 174.62 174.84 2rtr s TRP 92 N -0.02 2.95 -0.09 3.99 0.51 0.27 -1.93 118.94 124.63 2rtr s TRP 92 Ca -0.07 -0.45 0.03 0.00 -2.12 0.00 0.00 56.10 53.50 2rtr s TRP 92 Cb -0.15 -1.93 0.00 0.00 -0.81 0.00 0.00 33.47 30.59 2rtr s TRP 92 CO 0.05 -0.13 -0.20 0.45 -0.51 0.00 0.00 176.95 176.62 2rtr s SER 93 N 0.44 2.61 0.00 2.95 0.15 0.01 -1.90 113.70 117.96 2rtr s SER 93 Ca -0.06 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2rtr s SER 93 Cb -0.15 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 2rtr s SER 93 CO 0.04 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2rtr n GLY 94 N 3.64 1.63 2.95 9.45 0.00 -0.80 -1.17 105.19 120.89 2rtr n GLY 94 Ca -0.20 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 2rtr n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rtr s GLN 95 N 1.33 0.22 -0.12 1.61 -0.21 -0.63 -1.61 119.66 120.25 2rtr s GLN 95 Ca 0.00 -0.39 -0.12 0.00 0.02 0.00 0.00 55.36 54.88 2rtr s GLN 95 Cb 0.00 0.03 -0.05 0.00 1.00 0.00 0.00 33.01 33.99 2rtr s GLN 95 CO 0.00 -0.02 0.25 -0.47 -2.12 0.00 0.00 175.29 172.93 2rtr s TYR 96 N -0.89 3.55 -0.17 0.91 5.04 -0.10 -1.37 117.35 124.32 2rtr s TYR 96 Ca -0.09 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 2rtr s TYR 96 Cb -0.06 -2.20 0.03 0.00 0.35 0.00 0.00 41.96 40.08 2rtr s TYR 96 CO -0.01 0.46 -0.10 0.08 -1.34 0.00 0.00 175.55 174.64 2rtr s VAL 97 N -0.26 1.46 0.51 3.14 1.01 0.14 -1.01 120.40 125.39 2rtr s VAL 97 Ca 0.16 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2rtr s VAL 97 Cb -0.13 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2rtr s VAL 97 CO 0.05 0.27 0.73 -0.83 0.00 0.00 0.00 175.10 175.32 2rtr s GLY 98 N 1.50 1.73 0.00 4.51 0.00 -1.26 -1.20 107.32 112.59 2rtr s GLY 98 Ca 0.02 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2rtr s GLY 98 CO -0.09 -1.00 0.00 0.61 0.00 0.00 0.00 173.10 172.62 2rtr n GLY 99 N -2.23 0.18 0.21 0.20 0.00 -1.26 -4.84 105.19 97.44 2rtr n GLY 99 Ca 0.05 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 2rtr n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtr h ALA 100 N 0.00 0.33 -2.84 4.61 0.00 -2.06 -3.35 119.26 115.94 2rtr h ALA 100 Ca 0.00 -0.49 -0.76 0.00 0.00 0.00 0.00 54.91 53.66 2rtr h ALA 100 Cb 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 17.46 2rtr h ALA 100 CO 0.00 0.50 -0.09 -1.21 0.00 0.00 0.00 179.25 178.45 2rtr s GLU 101 N -3.99 3.19 0.01 0.00 2.02 -1.26 -5.04 118.70 113.64 2rtr s GLU 101 Ca -0.12 -2.37 -0.28 0.00 0.02 0.00 0.00 54.97 52.22 2rtr s GLU 101 Cb 0.08 -4.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2rtr s GLU 101 CO 0.85 -1.26 0.90 0.00 0.02 0.00 0.00 175.26 175.78 2rtr s ALA 102 N 0.31 3.23 0.10 5.21 0.00 -1.26 -4.80 121.76 124.55 2rtr s ALA 102 Ca 0.15 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.59 2rtr s ALA 102 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2rtr s ALA 102 CO -0.06 -0.14 -0.10 1.03 0.00 0.00 0.00 175.76 176.49 2rtr s ARG 103 N 0.68 0.87 -0.17 0.00 1.81 -0.34 -2.91 118.95 118.88 2rtr s ARG 103 Ca 0.47 -1.20 -0.00 0.00 -1.72 0.00 0.00 55.73 53.28 2rtr s ARG 103 Cb -0.21 -0.52 0.04 0.00 -0.45 0.00 0.00 34.95 33.82 2rtr s ARG 103 CO 0.26 0.07 -0.06 0.42 -0.68 0.00 0.00 175.30 175.31 2rtr s ILE 104 N -2.61 1.22 -0.24 1.52 1.01 -0.71 -0.69 121.20 120.71 2rtr s ILE 104 Ca 0.07 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 2rtr s ILE 104 Cb -0.02 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 2rtr s ILE 104 CO -0.00 0.13 0.16 0.20 0.00 0.00 0.00 174.94 175.42 2rtr s ASN 105 N 1.58 6.07 0.21 3.58 0.01 -0.47 -0.74 114.94 125.18 2rtr s ASN 105 Ca 0.00 0.10 0.03 0.00 -0.71 0.00 0.00 52.86 52.28 2rtr s ASN 105 Cb -0.16 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 2rtr s ASN 105 CO -0.08 0.06 -0.01 0.42 -1.51 0.00 0.00 177.10 175.99 2rtr s THR 106 N 1.08 0.94 0.04 1.60 -4.23 0.01 -1.61 115.64 113.47 2rtr s THR 106 Ca 0.07 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.62 2rtr s THR 106 Cb -0.14 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 2rtr s THR 106 CO 0.05 -0.40 -0.17 -1.10 -0.54 0.00 0.00 174.62 172.46 2rtr s GLN 107 N -3.87 1.13 0.12 3.99 -0.21 -0.31 -2.21 119.66 118.30 2rtr s GLN 107 Ca 0.26 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 54.84 2rtr s GLN 107 Cb 0.05 -1.19 -0.04 0.00 1.00 0.00 0.00 33.01 32.83 2rtr s GLN 107 CO 0.07 0.30 -0.09 1.67 -2.12 0.00 0.00 175.29 175.12 2rtr s TRP 108 N -0.82 1.09 -0.10 0.91 1.48 0.15 -0.81 118.94 120.83 2rtr s TRP 108 Ca 0.04 -0.79 0.01 0.00 -1.06 0.00 0.00 56.10 54.31 2rtr s TRP 108 Cb -0.08 -0.58 0.02 0.00 -1.16 0.00 0.00 33.47 31.66 2rtr s TRP 108 CO 0.01 -0.01 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.25 2rtr s LEU 109 N -2.95 1.60 -0.29 -4.66 1.43 -0.81 -1.57 118.68 111.41 2rtr s LEU 109 Ca 0.12 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2rtr s LEU 109 Cb 0.02 -0.99 0.04 0.00 0.03 0.00 0.00 46.19 45.29 2rtr s LEU 109 CO -0.01 -0.01 0.01 -0.22 0.23 0.00 0.00 176.35 176.34 2rtr s LEU 110 N 1.09 3.81 -0.16 1.79 0.20 0.23 -1.60 118.68 124.05 2rtr s LEU 110 Ca -0.05 -1.14 -0.04 0.00 0.69 0.00 0.00 54.13 53.58 2rtr s LEU 110 Cb -0.14 -1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 43.85 2rtr s LEU 110 CO -0.02 -0.24 -0.02 -0.89 -0.29 0.00 0.00 176.35 174.89 2rtr s THR 111 N 1.30 4.04 -0.07 3.68 2.01 -0.27 -0.75 115.64 125.58 2rtr s THR 111 Ca -0.03 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 2rtr s THR 111 Cb -0.19 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2rtr s THR 111 CO -0.01 0.49 0.21 -0.44 -0.69 0.00 0.00 174.62 174.18 2rtr s SER 112 N 0.31 6.48 0.26 3.53 0.01 -0.26 -1.57 113.70 122.46 2rtr s SER 112 Ca -0.03 0.56 -0.30 0.00 1.31 0.00 0.00 55.95 57.50 2rtr s SER 112 Cb -0.14 -2.10 -0.10 0.00 0.21 0.00 0.00 66.02 63.90 2rtr s SER 112 CO 0.02 0.35 1.32 -0.83 0.41 0.00 0.00 173.24 174.52 2rtr s GLY 113 N -1.24 2.67 0.29 3.44 0.00 -0.38 -4.84 107.32 107.26 2rtr s GLY 113 Ca 0.20 1.20 0.04 0.00 0.00 0.00 0.00 44.72 46.15 2rtr s GLY 113 CO 0.09 2.02 0.20 -0.51 0.00 0.00 0.00 173.10 174.89 2rtr s THR 114 N -0.46 0.12 0.68 0.90 -4.23 -1.26 -5.04 115.64 106.35 2rtr s THR 114 Ca 0.53 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.93 2rtr s THR 114 Cb -0.39 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2rtr s THR 114 CO 0.45 0.00 1.07 0.42 -0.54 0.00 0.00 174.62 176.02 2rtr s THR 115 N -3.68 3.73 0.23 3.99 -4.23 -1.26 -4.88 115.64 109.55 2rtr s THR 115 Ca 0.38 0.53 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 2rtr s THR 115 Cb 0.04 -3.55 0.19 0.00 1.34 0.00 0.00 72.50 70.53 2rtr s THR 115 CO 0.20 -0.72 1.82 -0.08 -0.54 0.00 0.00 174.62 175.30 2rtr h GLU 116 N -0.56 0.79 -0.96 3.99 4.81 -2.01 -1.64 114.58 119.00 2rtr h GLU 116 Ca -0.45 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 58.82 2rtr h GLU 116 Cb 1.24 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 2rtr h GLU 116 CO 0.63 0.52 0.62 0.00 -0.73 0.00 0.00 179.01 180.05 2rtr h ALA 117 N 1.41 1.49 -0.70 2.92 0.00 -2.06 -2.78 119.26 119.54 2rtr h ALA 117 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2rtr h ALA 117 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rtr h ALA 117 CO -0.21 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.47 2rtr n ASN 118 N -4.52 4.27 -0.10 0.00 3.02 -0.66 -4.48 115.26 112.78 2rtr n ASN 118 Ca 0.16 -2.18 0.11 0.00 -0.03 0.00 0.00 54.58 52.63 2rtr n ASN 118 Cb 0.24 -0.53 0.47 0.00 -0.61 0.00 0.00 39.78 39.35 2rtr n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rtr h ALA 119 N 4.28 1.94 0.00 5.41 0.00 -1.14 -1.96 119.26 127.79 2rtr h ALA 119 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rtr h ALA 119 Cb 1.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2rtr h ALA 119 CO 0.10 -0.07 -0.01 0.11 0.00 0.00 0.00 179.25 179.37 2rtr h TRP 120 N 0.49 0.00 -0.36 0.00 5.08 -1.82 -2.22 115.95 117.12 2rtr h TRP 120 Ca 0.29 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.10 2rtr h TRP 120 Cb 0.48 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.55 2rtr h TRP 120 CO -0.00 0.01 -0.03 0.36 -1.28 0.00 0.00 178.44 177.50 2rtr n LYS 121 N -3.22 2.07 0.14 0.12 2.85 -0.74 -4.70 118.16 114.69 2rtr n LYS 121 Ca -0.02 -3.10 0.12 0.00 -1.05 0.00 0.00 58.31 54.26 2rtr n LYS 121 Cb 0.12 -1.84 0.16 0.00 -0.65 0.00 0.00 35.03 32.82 2rtr n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2rtr h SER 122 N 1.15 0.00 -3.23 -5.58 4.64 -1.45 -3.47 113.55 105.61 2rtr h SER 122 Ca 0.19 -0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.89 2rtr h SER 122 Cb 1.67 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.41 2rtr h SER 122 CO 0.39 0.02 -0.83 -0.89 -0.87 0.00 0.00 176.83 174.64 2rtr s THR 123 N -3.23 1.50 0.12 2.95 2.01 -1.26 -1.10 115.64 116.64 2rtr s THR 123 Ca 0.05 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 2rtr s THR 123 Cb 0.09 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 2rtr s THR 123 CO 0.70 0.44 0.33 -0.76 -0.69 0.00 0.00 174.62 174.64 2rtr s LEU 124 N 1.13 4.29 0.03 4.42 1.43 0.07 -4.91 118.68 125.13 2rtr s LEU 124 Ca -0.04 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2rtr s LEU 124 Cb -0.14 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 2rtr s LEU 124 CO -0.04 0.08 -0.13 0.54 0.23 0.00 0.00 176.35 177.03 2rtr s VAL 125 N -1.63 1.04 0.00 -1.59 0.11 -1.26 -0.60 120.40 116.46 2rtr s VAL 125 Ca 0.39 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2rtr s VAL 125 Cb -0.12 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2rtr s VAL 125 CO 0.26 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 2rtr n GLY 126 N 2.08 1.81 3.12 6.54 0.00 -0.61 -4.98 105.19 113.15 2rtr n GLY 126 Ca -0.17 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 2rtr n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rtr s HIS 127 N -5.69 -0.18 0.02 1.61 -3.43 -1.26 -0.67 115.29 105.69 2rtr s HIS 127 Ca 0.00 0.41 0.04 0.00 -0.80 0.00 0.00 55.06 54.72 2rtr s HIS 127 Cb 0.00 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 2rtr s HIS 127 CO 0.00 -0.18 -0.13 -0.51 -2.00 0.00 0.00 174.74 171.92 2rtr s ASP 128 N -0.34 1.50 -0.10 7.38 1.01 -0.94 -4.96 116.67 120.22 2rtr s ASP 128 Ca -0.04 -0.39 0.04 0.00 0.71 0.00 0.00 52.55 52.87 2rtr s ASP 128 Cb -0.03 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.79 2rtr s ASP 128 CO 0.01 0.05 -0.22 -0.89 0.21 0.00 0.00 175.17 174.33 2rtr s THR 129 N -0.71 1.93 -0.12 -1.27 2.01 -1.26 -0.81 115.64 115.42 2rtr s THR 129 Ca 0.02 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 2rtr s THR 129 Cb -0.07 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2rtr s THR 129 CO 0.01 0.53 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.05 2rtr s PHE 130 N 0.44 2.99 -0.08 4.92 0.40 0.08 -3.23 117.98 123.49 2rtr s PHE 130 Ca -0.17 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 2rtr s PHE 130 Cb -0.17 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 2rtr s PHE 130 CO 0.07 0.11 -0.09 0.99 0.70 0.00 0.00 175.22 177.00 2rtr s THR 131 N -0.13 3.45 0.12 0.64 2.01 -0.00 -1.73 115.64 120.00 2rtr s THR 131 Ca 0.02 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.23 2rtr s THR 131 Cb -0.13 -2.41 -0.07 0.00 0.01 0.00 0.00 72.50 69.89 2rtr s THR 131 CO 0.03 0.57 0.69 -0.75 -0.69 0.00 0.00 174.62 174.47 2rtr s LYS 132 N -0.49 4.41 0.00 4.92 2.20 -1.15 -1.38 119.74 128.25 2rtr s LYS 132 Ca 0.07 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 2rtr s LYS 132 Cb -0.12 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2rtr s LYS 132 CO 0.02 0.60 0.00 1.55 -0.36 0.00 0.00 175.35 177.16 2rtr n VAL 133 N 1.67 0.00 -3.92 4.02 3.14 0.27 -4.94 118.33 118.58 2rtr n VAL 133 Ca -0.08 0.04 -0.22 0.00 -2.96 0.00 0.00 64.34 61.13 2rtr n VAL 133 Cb 0.50 -0.80 -0.02 0.00 -1.06 0.00 0.00 33.84 32.45 2rtr n VAL 133 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2rtr s LYS 134 N -0.34 3.45 0.00 1.45 1.02 -1.15 -4.91 119.74 119.26 2rtr s LYS 134 Ca 0.00 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.33 2rtr s LYS 134 Cb 0.00 -2.89 0.19 0.00 -0.52 0.00 0.00 37.83 34.61 2rtr s LYS 134 CO 0.00 0.43 0.67 -0.35 -0.92 0.00 0.00 175.35 175.18