#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rtn n GLU 14 N 0.00 0.00 0.00 0.00 1.02 -1.26 -2.99 120.64 117.41 2rtn n GLU 14 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2rtn n GLU 14 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 2rtn n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rtn n ALA 15 N 4.47 1.38 0.14 0.62 0.00 -1.26 -4.01 120.51 121.84 2rtn n ALA 15 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2rtn n ALA 15 Cb 0.00 -1.04 0.25 0.00 0.00 0.00 0.00 19.45 18.66 2rtn n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rtn n GLY 16 N -1.04 -0.50 0.25 0.00 0.00 -1.16 -1.31 105.19 101.44 2rtn n GLY 16 Ca 0.01 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2rtn n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2rtn h ILE 17 N 0.00 1.28 -2.48 -0.61 2.04 -1.86 -3.43 117.51 112.45 2rtn h ILE 17 Ca 0.00 -1.61 -0.54 0.00 1.00 0.00 0.00 64.86 63.71 2rtn h ILE 17 Cb 0.71 1.48 0.05 0.00 -0.74 0.00 0.00 36.82 38.32 2rtn h ILE 17 CO 0.00 0.53 0.99 0.41 0.00 0.00 0.00 178.15 180.08 2rtn n THR 18 N -4.04 0.12 -3.24 -0.27 -1.04 -0.42 -4.76 114.28 100.63 2rtn n THR 18 Ca -0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2rtn n THR 18 Cb 0.56 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 2rtn n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rtn n GLY 19 N 3.92 -0.42 3.21 3.41 0.00 -0.28 -4.99 105.19 110.03 2rtn n GLY 19 Ca 0.17 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2rtn n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rtn s THR 20 N -2.94 2.38 0.26 2.61 2.01 -1.26 -1.28 115.64 117.41 2rtn s THR 20 Ca 0.00 -0.86 0.12 0.00 0.31 0.00 0.00 61.69 61.25 2rtn s THR 20 Cb 0.00 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 2rtn s THR 20 CO 0.00 0.53 -0.20 0.26 -0.69 0.00 0.00 174.62 174.52 2rtn s TRP 21 N 0.93 2.32 0.00 4.92 0.52 0.69 -4.50 118.94 123.82 2rtn s TRP 21 Ca -0.04 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.77 2rtn s TRP 21 Cb -0.15 -1.04 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 2rtn s TRP 21 CO -0.03 0.66 -0.05 0.71 0.02 0.00 0.00 176.95 178.26 2rtn s TYR 22 N -2.28 0.44 0.50 -1.98 2.02 -0.06 -1.27 117.35 114.72 2rtn s TYR 22 Ca 0.28 -0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.90 2rtn s TYR 22 Cb -0.06 -0.28 0.03 0.00 -0.40 0.00 0.00 41.96 41.25 2rtn s TYR 22 CO 0.14 -0.02 0.49 0.54 -1.57 0.00 0.00 175.55 175.12 2rtn s ASN 23 N -0.36 4.94 0.51 2.29 2.20 -0.90 -1.46 114.94 122.15 2rtn s ASN 23 Ca -0.00 -0.93 0.28 0.00 -0.94 0.00 0.00 52.86 51.26 2rtn s ASN 23 Cb -0.03 -0.03 1.38 0.00 -2.00 0.00 0.00 41.25 40.57 2rtn s ASN 23 CO -0.00 -0.97 1.88 0.06 -2.94 0.00 0.00 177.10 175.13 2rtn h GLN 24 N 0.72 0.10 0.00 3.55 -0.00 -1.90 0.55 115.11 118.14 2rtn h GLN 24 Ca -0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 2rtn h GLN 24 Cb 1.28 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 2rtn h GLN 24 CO 0.53 0.07 0.00 1.28 -0.00 0.00 0.00 178.83 180.71 2rtn n LEU 25 N -4.34 0.19 0.00 0.06 4.77 -1.26 -4.93 117.00 111.48 2rtn n LEU 25 Ca 0.19 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2rtn n LEU 25 Cb 0.89 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2rtn n LEU 25 CO 0.36 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2rtn n GLY 26 N 1.32 0.80 3.87 -0.72 0.00 0.19 -4.72 105.19 105.93 2rtn n GLY 26 Ca 0.06 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2rtn n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtn s SER 27 N -2.18 6.25 -0.04 1.61 0.01 -1.26 -4.54 113.70 113.56 2rtn s SER 27 Ca 0.00 1.37 0.05 0.00 1.31 0.00 0.00 55.95 58.67 2rtn s SER 27 Cb 0.00 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 2rtn s SER 27 CO 0.00 -0.82 -0.17 -0.89 0.41 0.00 0.00 173.24 171.77 2rtn s THR 28 N -3.10 1.44 -0.13 1.44 2.01 -0.54 -2.11 115.64 114.66 2rtn s THR 28 Ca 0.54 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2rtn s THR 28 Cb -0.11 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.19 2rtn s THR 28 CO 0.52 0.41 -0.16 0.12 -0.69 0.00 0.00 174.62 174.82 2rtn s PHE 29 N -0.07 2.22 -0.24 4.92 5.36 -0.40 -1.01 117.98 128.77 2rtn s PHE 29 Ca -0.01 -1.15 0.02 0.00 -0.96 0.00 0.00 56.93 54.83 2rtn s PHE 29 Cb -0.10 -1.59 0.05 0.00 -0.34 0.00 0.00 43.02 41.04 2rtn s PHE 29 CO 0.02 -0.59 -0.13 0.42 -1.46 0.00 0.00 175.22 173.47 2rtn s ILE 30 N 1.14 2.12 0.14 3.12 1.01 -0.54 -0.23 121.20 127.97 2rtn s ILE 30 Ca -0.02 -1.43 0.09 0.00 0.00 0.00 0.00 60.65 59.28 2rtn s ILE 30 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2rtn s ILE 30 CO -0.05 0.13 -0.20 0.54 0.00 0.00 0.00 174.94 175.36 2rtn s VAL 31 N 1.16 1.82 -0.10 2.92 0.11 -0.40 -1.19 120.40 124.72 2rtn s VAL 31 Ca -0.05 -1.77 0.02 0.00 -2.93 0.00 0.00 61.98 57.25 2rtn s VAL 31 Cb -0.18 -1.75 0.01 0.00 -1.53 0.00 0.00 36.38 32.93 2rtn s VAL 31 CO -0.07 -0.19 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.46 2rtn s THR 32 N -1.64 1.47 -0.29 5.04 2.01 0.21 -1.12 115.64 121.32 2rtn s THR 32 Ca 0.12 -0.64 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 2rtn s THR 32 Cb -0.08 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 2rtn s THR 32 CO 0.06 0.43 0.10 0.00 -0.69 0.00 0.00 174.62 174.52 2rtn s ALA 33 N 0.88 3.15 0.62 7.40 0.00 -1.26 -1.78 121.76 130.77 2rtn s ALA 33 Ca -0.09 -1.34 -0.13 0.00 0.00 0.00 0.00 51.96 50.41 2rtn s ALA 33 Cb -0.15 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2rtn s ALA 33 CO 0.00 -0.79 1.04 0.20 0.00 0.00 0.00 175.76 176.21 2rtn s GLY 34 N 1.57 1.80 0.57 0.00 0.00 -0.45 -4.95 107.32 105.87 2rtn s GLY 34 Ca 0.04 0.09 0.32 0.00 0.00 0.00 0.00 44.72 45.17 2rtn s GLY 34 CO 0.04 0.38 2.17 0.00 0.00 0.00 0.00 173.10 175.68 2rtn h ALA 35 N -0.11 1.24 -0.94 3.20 0.00 -1.99 -3.06 119.26 117.60 2rtn h ALA 35 Ca -0.45 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.81 2rtn h ALA 35 Cb 1.20 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 2rtn h ALA 35 CO 0.60 0.07 0.60 -0.25 0.00 0.00 0.00 179.25 180.26 2rtn n ASP 36 N -3.50 6.27 0.00 0.00 9.92 -1.26 -4.91 116.55 123.07 2rtn n ASP 36 Ca -0.02 -3.75 0.00 0.00 -0.53 0.00 0.00 54.79 50.49 2rtn n ASP 36 Cb 0.18 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 39.79 2rtn n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rtn n GLY 37 N -0.96 0.51 3.91 0.44 0.00 -1.15 -5.00 105.19 102.93 2rtn n GLY 37 Ca 0.59 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 2rtn n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtn s ALA 38 N -2.00 3.60 -0.06 4.61 0.00 -1.25 -2.21 121.76 124.44 2rtn s ALA 38 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2rtn s ALA 38 Cb 0.00 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.81 2rtn s ALA 38 CO 0.00 0.18 -0.10 -0.51 0.00 0.00 0.00 175.76 175.33 2rtn s LEU 39 N -3.69 1.52 0.04 0.00 1.43 -0.69 -1.34 118.68 115.95 2rtn s LEU 39 Ca 0.44 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 2rtn s LEU 39 Cb -0.11 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 2rtn s LEU 39 CO 0.31 -0.00 0.04 0.42 0.23 0.00 0.00 176.35 177.35 2rtn s THR 40 N 0.80 0.15 -4.89 5.49 -4.23 -0.74 -1.64 115.64 110.59 2rtn s THR 40 Ca -0.12 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2rtn s THR 40 Cb -0.15 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.71 2rtn s THR 40 CO 0.02 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 2rtn n GLY 41 N 0.69 -0.49 3.19 3.99 0.00 -1.20 -0.62 105.19 110.75 2rtn n GLY 41 Ca -0.18 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 2rtn n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rtn s THR 42 N -3.15 1.05 -0.02 2.61 -4.23 -0.33 -1.73 115.64 109.84 2rtn s THR 42 Ca 0.00 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 2rtn s THR 42 Cb 0.00 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.47 2rtn s THR 42 CO 0.00 -0.50 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.05 2rtn s TYR 43 N -2.27 0.66 -0.21 3.99 6.14 0.10 -1.46 117.35 124.30 2rtn s TYR 43 Ca 0.06 -0.14 0.00 0.00 0.64 0.00 0.00 57.07 57.63 2rtn s TYR 43 Cb -0.04 -0.47 0.05 0.00 0.42 0.00 0.00 41.96 41.92 2rtn s TYR 43 CO 0.01 -0.06 -0.07 -2.00 0.64 0.00 0.00 175.55 174.07 2rtn s GLU 44 N 0.14 1.73 0.30 4.97 2.12 -0.18 -0.03 118.70 127.75 2rtn s GLU 44 Ca -0.01 -0.83 -0.16 0.00 0.36 0.00 0.00 54.97 54.32 2rtn s GLU 44 Cb -0.06 -2.40 -0.09 0.00 0.26 0.00 0.00 34.13 31.84 2rtn s GLU 44 CO -0.00 -0.50 0.73 0.45 -0.54 0.00 0.00 175.26 175.40 2rtn s SER 45 N 1.45 6.84 0.00 -1.70 0.15 -1.26 -1.46 113.70 117.72 2rtn s SER 45 Ca -0.03 1.32 0.23 0.00 0.70 0.00 0.00 55.95 58.17 2rtn s SER 45 Cb -0.17 -2.38 0.11 0.00 -1.71 0.00 0.00 66.02 61.87 2rtn s SER 45 CO -0.07 -0.15 1.14 0.00 1.20 0.00 0.00 173.24 175.36 2rtn n ALA 46 N -0.11 4.10 -2.19 5.45 0.00 -1.26 -4.87 120.51 121.63 2rtn n ALA 46 Ca 0.02 -0.51 -0.11 0.00 0.00 0.00 0.00 53.44 52.85 2rtn n ALA 46 Cb 0.53 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 2rtn n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2rtn s VAL 47 N -2.90 0.68 0.00 0.00 -7.23 -1.26 -5.03 120.40 104.66 2rtn s VAL 47 Ca 0.11 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2rtn s VAL 47 Cb 0.17 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.46 2rtn s VAL 47 CO 0.75 -0.86 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 2rtn n GLY 48 N 0.01 -0.48 3.41 2.32 0.00 -1.26 -4.67 105.19 104.51 2rtn n GLY 48 Ca -0.13 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 2rtn n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rtn n ASN 49 N -0.75 4.74 -3.73 1.61 5.15 -1.26 -4.88 115.26 116.13 2rtn n ASN 49 Ca 0.00 -2.91 -0.12 0.00 -0.60 0.00 0.00 54.58 50.95 2rtn n ASN 49 Cb 0.00 -1.73 -0.07 0.00 -0.53 0.00 0.00 39.78 37.45 2rtn n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rtn s ALA 50 N 3.99 -0.79 -0.23 5.20 0.00 -1.26 -4.53 121.76 124.13 2rtn s ALA 50 Ca 0.52 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 2rtn s ALA 50 Cb 0.06 0.27 0.09 0.00 0.00 0.00 0.00 23.12 23.54 2rtn s ALA 50 CO 0.05 -0.39 0.52 -2.00 0.00 0.00 0.00 175.76 173.94 2rtn s GLU 51 N -2.25 0.47 2.13 0.00 2.12 -1.26 -4.99 118.70 114.92 2rtn s GLU 51 Ca -0.07 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.37 2rtn s GLU 51 Cb -0.02 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.71 2rtn s GLU 51 CO -0.01 -0.20 0.00 0.43 -0.54 0.00 0.00 175.26 174.94 2rtn n SER 52 N 4.92 0.00 -4.96 -1.70 7.64 -1.26 -4.63 113.62 113.63 2rtn n SER 52 Ca -0.15 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.50 2rtn n SER 52 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 2rtn n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2rtn s ARG 53 N 0.00 3.46 0.06 1.43 0.52 -1.26 -4.33 118.95 118.83 2rtn s ARG 53 Ca 0.00 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2rtn s ARG 53 Cb 0.00 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 2rtn s ARG 53 CO 0.00 0.37 -0.13 0.71 0.02 0.00 0.00 175.30 176.27 2rtn s TYR 54 N -2.02 1.12 0.23 -0.53 1.51 0.96 -4.91 117.35 113.70 2rtn s TYR 54 Ca 0.36 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 2rtn s TYR 54 Cb -0.09 -0.64 -0.09 0.00 -0.11 0.00 0.00 41.96 41.03 2rtn s TYR 54 CO 0.31 0.03 1.15 0.08 -1.11 0.00 0.00 175.55 176.01 2rtn s VAL 55 N -1.26 3.55 0.08 0.71 1.01 -1.26 -0.72 120.40 122.50 2rtn s VAL 55 Ca -0.03 1.41 0.06 0.00 0.00 0.00 0.00 61.98 63.42 2rtn s VAL 55 Cb -0.10 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2rtn s VAL 55 CO 0.02 0.28 -0.17 -1.48 0.00 0.00 0.00 175.10 173.74 2rtn s LEU 56 N -0.79 2.26 -0.03 3.92 0.05 -0.71 -4.43 118.68 118.95 2rtn s LEU 56 Ca 0.49 -0.62 -0.04 0.00 0.05 0.00 0.00 54.13 54.01 2rtn s LEU 56 Cb -0.32 -0.70 0.01 0.00 -2.05 0.00 0.00 46.19 43.13 2rtn s LEU 56 CO 0.39 0.01 0.11 0.28 -0.55 0.00 0.00 176.35 176.59 2rtn s THR 57 N -1.14 0.02 0.00 5.48 -1.32 -1.15 -3.24 115.64 114.28 2rtn s THR 57 Ca 0.02 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 2rtn s THR 57 Cb -0.10 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 2rtn s THR 57 CO 0.03 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 2rtn n GLY 58 N 2.72 2.25 3.12 6.08 0.00 -0.65 -1.42 105.19 117.28 2rtn n GLY 58 Ca -0.14 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 2rtn n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rtn s ARG 59 N -1.45 0.55 0.03 1.61 1.81 -0.88 -1.71 118.95 118.91 2rtn s ARG 59 Ca 0.00 -0.51 0.01 0.00 -1.72 0.00 0.00 55.73 53.51 2rtn s ARG 59 Cb 0.00 0.22 -0.02 0.00 -0.45 0.00 0.00 34.95 34.70 2rtn s ARG 59 CO 0.00 -0.14 -0.05 1.52 -0.68 0.00 0.00 175.30 175.95 2rtn s TYR 60 N -1.85 0.42 -0.37 -0.53 1.13 -0.94 -1.69 117.35 113.53 2rtn s TYR 60 Ca -0.11 -0.47 -0.15 0.00 -1.41 0.00 0.00 57.07 54.93 2rtn s TYR 60 Cb -0.05 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 2rtn s TYR 60 CO -0.01 -0.13 0.34 0.34 -2.51 0.00 0.00 175.55 173.59 2rtn s ASP 61 N -1.36 6.14 -0.06 -0.18 3.68 -0.50 -4.48 116.67 119.90 2rtn s ASP 61 Ca -0.12 -0.51 -0.30 0.00 2.13 0.00 0.00 52.55 53.75 2rtn s ASP 61 Cb -0.09 -2.18 -0.02 0.00 -1.45 0.00 0.00 42.92 39.17 2rtn s ASP 61 CO -0.00 -0.40 1.06 -0.55 0.13 0.00 0.00 175.17 175.41 2rtn s SER 62 N 1.74 7.21 0.28 -0.34 0.15 -1.26 -4.49 113.70 116.98 2rtn s SER 62 Ca 0.09 1.65 -0.10 0.00 0.70 0.00 0.00 55.95 58.30 2rtn s SER 62 Cb -0.17 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2rtn s SER 62 CO 0.12 -0.45 0.48 0.00 1.20 0.00 0.00 173.24 174.59 2rtn s ALA 63 N 1.81 0.04 0.34 5.45 0.00 -1.26 -5.10 121.76 123.04 2rtn s ALA 63 Ca 0.51 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 2rtn s ALA 63 Cb -0.21 1.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.90 2rtn s ALA 63 CO 0.21 -0.84 1.21 -1.25 0.00 0.00 0.00 175.76 175.10 2rtn s PRO 64 N -3.68 4.33 -0.43 0.00 0.04 -1.26 -5.03 135.00 128.97 2rtn s PRO 64 Ca 0.25 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.35 2rtn s PRO 64 Cb -0.01 -2.97 0.29 0.00 0.04 0.00 0.00 34.50 31.85 2rtn s PRO 64 CO 0.12 -0.13 0.82 0.00 0.04 0.00 0.00 177.00 177.85 2rtn n ALA 65 N 0.66 0.45 0.30 8.56 0.00 -1.26 -4.98 120.51 124.24 2rtn n ALA 65 Ca 0.01 -2.35 0.16 0.00 0.00 0.00 0.00 53.44 51.26 2rtn n ALA 65 Cb 0.44 -1.07 0.97 0.00 0.00 0.00 0.00 19.45 19.78 2rtn n ALA 65 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2rtn h THR 66 N 2.31 0.44 -0.52 0.00 1.35 -1.98 -2.61 112.91 111.90 2rtn h THR 66 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2rtn h THR 66 Cb 1.00 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2rtn h THR 66 CO 0.35 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.72 2rtn n ASP 67 N -3.72 3.38 -1.45 5.36 5.75 -1.26 -4.95 116.55 119.66 2rtn n ASP 67 Ca -0.03 -2.19 -0.12 0.00 -0.01 0.00 0.00 54.79 52.43 2rtn n ASP 67 Cb 0.08 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2rtn n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rtn n GLY 68 N 1.12 -0.14 3.75 6.12 0.00 -0.98 -5.00 105.19 110.06 2rtn n GLY 68 Ca 0.19 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2rtn n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtn s SER 69 N -2.46 4.26 0.83 1.61 0.01 -1.26 -5.03 113.70 111.65 2rtn s SER 69 Ca 0.01 1.81 -0.11 0.00 1.31 0.00 0.00 55.95 58.97 2rtn s SER 69 Cb -0.01 -2.49 0.12 0.00 0.21 0.00 0.00 66.02 63.86 2rtn s SER 69 CO 0.01 -2.19 1.18 -0.83 0.41 0.00 0.00 173.24 171.82 2rtn s GLY 70 N -3.34 1.69 -0.35 3.44 0.00 -1.26 -4.98 107.32 102.53 2rtn s GLY 70 Ca 0.62 -0.98 -0.15 0.00 0.00 0.00 0.00 44.72 44.20 2rtn s GLY 70 CO 0.56 -0.41 0.36 -1.59 0.00 0.00 0.00 173.10 172.02 2rtn s THR 71 N -3.58 5.17 0.25 0.90 2.01 0.09 -4.85 115.64 115.63 2rtn s THR 71 Ca 0.66 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 2rtn s THR 71 Cb -0.08 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 2rtn s THR 71 CO 0.49 -0.10 1.50 0.00 -0.69 0.00 0.00 174.62 175.82 2rtn s ALA 72 N 2.00 3.68 0.23 7.40 0.00 -1.26 -1.20 121.76 132.62 2rtn s ALA 72 Ca 0.11 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.35 2rtn s ALA 72 Cb -0.17 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.36 2rtn s ALA 72 CO 0.12 -0.82 0.47 -0.48 0.00 0.00 0.00 175.76 175.05 2rtn s LEU 73 N -0.22 0.34 -0.09 0.00 0.05 -0.81 -1.41 118.68 116.54 2rtn s LEU 73 Ca 0.62 -0.86 -0.30 0.00 0.05 0.00 0.00 54.13 53.65 2rtn s LEU 73 Cb -0.44 1.79 0.11 0.00 -2.05 0.00 0.00 46.19 45.59 2rtn s LEU 73 CO 0.43 -1.11 0.89 -0.83 -0.55 0.00 0.00 176.35 175.18 2rtn s GLY 74 N -2.99 -0.39 0.17 -3.48 0.00 -0.68 -1.86 107.32 98.08 2rtn s GLY 74 Ca 0.20 1.59 -0.16 0.00 0.00 0.00 0.00 44.72 46.35 2rtn s GLY 74 CO 0.07 0.82 0.45 0.66 0.00 0.00 0.00 173.10 175.10 2rtn s TRP 75 N -1.69 -0.08 0.07 1.90 -2.14 -0.78 -2.07 118.94 114.15 2rtn s TRP 75 Ca -0.02 -0.26 0.09 0.00 2.66 0.00 0.00 56.10 58.57 2rtn s TRP 75 Cb -0.01 0.29 -0.03 0.00 -3.10 0.00 0.00 33.47 30.63 2rtn s TRP 75 CO 0.00 -0.82 -0.24 0.99 -2.66 0.00 0.00 176.95 174.22 2rtn s THR 76 N -3.86 1.96 -0.11 0.66 2.01 -0.51 -1.12 115.64 114.67 2rtn s THR 76 Ca 0.08 -1.43 -0.01 0.00 0.31 0.00 0.00 61.69 60.64 2rtn s THR 76 Cb 0.00 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.84 2rtn s THR 76 CO -0.05 0.20 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.37 2rtn s VAL 77 N -0.91 0.63 -0.14 3.82 1.01 -0.54 -2.94 120.40 121.34 2rtn s VAL 77 Ca 0.10 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 2rtn s VAL 77 Cb -0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2rtn s VAL 77 CO 0.03 0.22 0.47 0.00 0.00 0.00 0.00 175.10 175.83 2rtn s ALA 78 N 1.86 3.49 -1.49 5.51 0.00 -1.26 -0.98 121.76 128.89 2rtn s ALA 78 Ca 0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 2rtn s ALA 78 Cb -0.13 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.33 2rtn s ALA 78 CO -0.07 -0.08 2.55 0.91 0.00 0.00 0.00 175.76 179.08 2rtn n TRP 79 N 3.89 2.79 -3.74 0.00 7.02 -0.38 -4.74 117.44 122.28 2rtn n TRP 79 Ca -0.07 -2.98 -0.15 0.00 -1.02 0.00 0.00 57.50 53.28 2rtn n TRP 79 Cb 0.51 -2.33 -0.15 0.00 -2.42 0.00 0.00 31.31 26.92 2rtn n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2rtn s LYS 80 N 1.61 0.03 0.00 -0.99 2.20 -1.26 0.02 119.74 121.35 2rtn s LYS 80 Ca 0.58 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 2rtn s LYS 80 Cb 0.16 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 2rtn s LYS 80 CO -0.07 -0.20 0.00 0.27 -0.36 0.00 0.00 175.35 174.99 2rtn n ASN 81 N 4.45 0.00 0.07 1.43 0.23 0.24 -4.82 115.26 116.86 2rtn n ASN 81 Ca -0.22 -0.80 0.11 0.00 -0.53 0.00 0.00 54.58 53.14 2rtn n ASN 81 Cb 0.51 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.64 2rtn n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2rtn n ASN 82 N -1.76 0.38 -0.12 0.53 3.02 -1.26 -3.92 115.26 112.13 2rtn n ASN 82 Ca 0.00 0.58 -0.26 0.00 -0.03 0.00 0.00 54.58 54.87 2rtn n ASN 82 Cb 0.00 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.42 2rtn n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rtn n TYR 83 N -1.91 0.00 -4.28 3.10 4.01 -1.26 -5.06 117.16 111.76 2rtn n TYR 83 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.62 2rtn n TYR 83 Cb 0.24 -0.86 -0.10 0.00 -0.31 0.00 0.00 39.34 38.31 2rtn n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rtn s ARG 84 N -2.46 1.18 -0.37 -0.72 0.52 -1.25 -5.05 118.95 110.80 2rtn s ARG 84 Ca -0.34 -1.56 0.02 0.00 -0.52 0.00 0.00 55.73 53.33 2rtn s ARG 84 Cb 0.13 -0.57 0.15 0.00 0.52 0.00 0.00 34.95 35.18 2rtn s ARG 84 CO 0.43 -0.03 0.29 1.21 0.02 0.00 0.00 175.30 177.22 2rtn s ASN 85 N -3.23 2.09 0.00 0.23 3.84 -1.25 -0.59 114.94 116.03 2rtn s ASN 85 Ca 0.23 -2.05 0.17 0.00 0.21 0.00 0.00 52.86 51.42 2rtn s ASN 85 Cb 0.04 -0.01 0.79 0.00 -0.55 0.00 0.00 41.25 41.53 2rtn s ASN 85 CO 0.04 -0.27 1.51 0.00 -2.79 0.00 0.00 177.10 175.59 2rtn n ALA 86 N 3.98 1.86 -3.54 1.71 0.00 0.10 -4.90 120.51 119.72 2rtn n ALA 86 Ca 0.14 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 2rtn n ALA 86 Cb 0.41 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.67 2rtn n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rtn n HIS 87 N -1.37 -2.50 -4.00 0.00 -0.00 -1.26 -4.92 115.22 101.16 2rtn n HIS 87 Ca 0.06 0.97 -0.09 0.00 -0.00 0.00 0.00 57.72 58.66 2rtn n HIS 87 Cb 0.16 -5.00 -0.05 0.00 -0.00 0.00 0.00 29.99 25.09 2rtn n HIS 87 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2rtn s SER 88 N -3.85 -0.04 -0.07 0.41 0.01 -1.26 -2.00 113.70 106.90 2rtn s SER 88 Ca 0.29 -0.96 -0.05 0.00 1.31 0.00 0.00 55.95 56.54 2rtn s SER 88 Cb -0.13 0.60 0.03 0.00 0.21 0.00 0.00 66.02 66.73 2rtn s SER 88 CO 0.74 -1.16 0.18 0.00 0.41 0.00 0.00 173.24 173.40 2rtn s ALA 89 N -3.94 -0.39 -0.02 1.44 0.00 -0.80 -1.25 121.76 116.80 2rtn s ALA 89 Ca 0.23 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.87 2rtn s ALA 89 Cb -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2rtn s ALA 89 CO 0.10 -0.13 -0.07 0.99 0.00 0.00 0.00 175.76 176.64 2rtn s THR 90 N 0.74 3.64 -0.05 0.00 2.01 -0.15 -2.19 115.64 119.63 2rtn s THR 90 Ca -0.05 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.33 2rtn s THR 90 Cb -0.07 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 2rtn s THR 90 CO -0.04 0.47 -0.24 0.42 -0.69 0.00 0.00 174.62 174.54 2rtn s THR 91 N -0.92 2.12 -0.11 -0.82 -4.23 -0.96 -1.47 115.64 109.25 2rtn s THR 91 Ca 0.15 -1.05 -0.00 0.00 -1.18 0.00 0.00 61.69 59.61 2rtn s THR 91 Cb -0.11 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 2rtn s THR 91 CO 0.05 0.57 -0.10 0.26 -0.54 0.00 0.00 174.62 174.86 2rtn s TRP 92 N -0.25 2.87 -0.07 3.99 0.51 -0.27 -2.50 118.94 123.21 2rtn s TRP 92 Ca -0.01 -0.35 0.05 0.00 -2.12 0.00 0.00 56.10 53.67 2rtn s TRP 92 Cb -0.13 -1.81 -0.00 0.00 -0.81 0.00 0.00 33.47 30.72 2rtn s TRP 92 CO 0.03 0.00 -0.23 0.45 -0.51 0.00 0.00 176.95 176.69 2rtn s SER 93 N -0.05 2.89 0.00 2.95 0.15 -0.98 -1.87 113.70 116.78 2rtn s SER 93 Ca -0.01 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2rtn s SER 93 Cb -0.14 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2rtn s SER 93 CO 0.03 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2rtn n GLY 94 N 3.23 1.03 3.21 9.45 0.00 -0.78 -1.90 105.19 119.43 2rtn n GLY 94 Ca -0.18 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2rtn n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rtn s GLN 95 N 1.16 0.43 0.08 1.61 -2.07 -0.70 -1.92 119.66 118.25 2rtn s GLN 95 Ca 0.00 0.31 -0.13 0.00 -1.82 0.00 0.00 55.36 53.72 2rtn s GLN 95 Cb 0.00 0.20 -0.06 0.00 -1.09 0.00 0.00 33.01 32.06 2rtn s GLN 95 CO 0.00 -0.07 0.46 -0.47 -1.32 0.00 0.00 175.29 173.89 2rtn s TYR 96 N -0.13 3.64 -0.01 9.60 5.04 -0.34 -1.83 117.35 133.33 2rtn s TYR 96 Ca -0.03 0.95 0.03 0.00 -2.44 0.00 0.00 57.07 55.58 2rtn s TYR 96 Cb -0.03 -2.28 -0.01 0.00 0.35 0.00 0.00 41.96 40.00 2rtn s TYR 96 CO 0.01 0.53 -0.09 0.08 -1.34 0.00 0.00 175.55 174.74 2rtn s VAL 97 N -1.32 0.70 0.00 3.14 1.01 0.02 -0.73 120.40 123.22 2rtn s VAL 97 Ca 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2rtn s VAL 97 Cb -0.15 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2rtn s VAL 97 CO 0.17 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2rtn n GLY 98 N 2.89 3.06 0.00 4.51 0.00 -1.26 -1.50 105.19 112.89 2rtn n GLY 98 Ca -0.14 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2rtn n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rtn n GLY 99 N 5.00 -0.31 0.36 -0.02 0.00 -1.26 -4.48 105.19 104.48 2rtn n GLY 99 Ca 0.00 -2.25 0.11 0.00 0.00 0.00 0.00 46.02 43.88 2rtn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtn h ALA 100 N 0.00 1.92 -3.28 4.61 0.00 -2.06 -3.30 119.26 117.15 2rtn h ALA 100 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 2rtn h ALA 100 Cb 0.00 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 17.27 2rtn h ALA 100 CO 0.00 -0.07 -0.70 -1.83 0.00 0.00 0.00 179.25 176.65 2rtn s GLU 101 N -5.50 1.46 0.47 0.00 4.04 -1.26 -5.10 118.70 112.81 2rtn s GLU 101 Ca -0.08 -2.04 -0.21 0.00 0.04 0.00 0.00 54.97 52.68 2rtn s GLU 101 Cb 0.20 -2.77 -0.09 0.00 0.02 0.00 0.00 34.13 31.49 2rtn s GLU 101 CO 0.76 -1.07 1.04 0.00 -1.84 0.00 0.00 175.26 174.14 2rtn s ALA 102 N 0.44 2.91 0.03 -0.84 0.00 -1.25 -4.78 121.76 118.29 2rtn s ALA 102 Ca 0.15 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 2rtn s ALA 102 Cb -0.23 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.68 2rtn s ALA 102 CO -0.05 -0.28 0.45 -0.98 0.00 0.00 0.00 175.76 174.90 2rtn s ARG 103 N -3.11 0.94 -0.23 0.00 1.70 -0.56 -4.19 118.95 113.50 2rtn s ARG 103 Ca 0.66 -0.27 0.02 0.00 -0.47 0.00 0.00 55.73 55.66 2rtn s ARG 103 Cb -0.17 0.43 0.05 0.00 -0.57 0.00 0.00 34.95 34.69 2rtn s ARG 103 CO 0.21 -0.32 -0.12 0.42 -1.08 0.00 0.00 175.30 174.41 2rtn s ILE 104 N -2.29 1.99 -0.24 4.99 1.01 -0.05 -0.80 121.20 125.81 2rtn s ILE 104 Ca -0.06 -1.36 -0.11 0.00 0.00 0.00 0.00 60.65 59.12 2rtn s ILE 104 Cb -0.01 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2rtn s ILE 104 CO -0.01 0.10 0.18 0.20 0.00 0.00 0.00 174.94 175.41 2rtn s ASN 105 N 1.22 6.14 0.13 3.58 0.02 -0.76 -0.98 114.94 124.29 2rtn s ASN 105 Ca -0.05 0.14 0.02 0.00 -1.02 0.00 0.00 52.86 51.95 2rtn s ASN 105 Cb -0.18 -2.11 -0.04 0.00 0.02 0.00 0.00 41.25 38.93 2rtn s ASN 105 CO -0.07 0.05 -0.04 0.42 0.02 0.00 0.00 177.10 177.49 2rtn s THR 106 N 1.08 0.68 -0.01 1.60 -4.23 0.10 -1.72 115.64 113.14 2rtn s THR 106 Ca 0.08 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.71 2rtn s THR 106 Cb -0.14 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 2rtn s THR 106 CO 0.05 -0.70 -0.23 -1.10 -0.54 0.00 0.00 174.62 172.10 2rtn s GLN 107 N -3.87 1.86 0.25 3.99 -0.21 -0.80 -2.10 119.66 118.77 2rtn s GLN 107 Ca 0.17 -0.85 0.07 0.00 0.02 0.00 0.00 55.36 54.77 2rtn s GLN 107 Cb 0.06 -1.82 -0.05 0.00 1.00 0.00 0.00 33.01 32.20 2rtn s GLN 107 CO -0.01 0.50 -0.10 1.67 -2.12 0.00 0.00 175.29 175.23 2rtn s TRP 108 N -0.57 1.84 -0.05 0.91 1.48 0.18 -2.33 118.94 120.40 2rtn s TRP 108 Ca 0.09 -0.64 0.04 0.00 -1.06 0.00 0.00 56.10 54.53 2rtn s TRP 108 Cb -0.09 -0.97 -0.00 0.00 -1.16 0.00 0.00 33.47 31.25 2rtn s TRP 108 CO -0.01 0.31 -0.19 -0.51 -4.06 0.00 0.00 176.95 172.50 2rtn s LEU 109 N -3.39 1.93 -0.16 -4.66 1.43 -1.04 -2.42 118.68 110.38 2rtn s LEU 109 Ca 0.26 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2rtn s LEU 109 Cb 0.02 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.20 2rtn s LEU 109 CO 0.10 0.16 -0.19 -0.22 0.23 0.00 0.00 176.35 176.42 2rtn s LEU 110 N 0.07 2.03 -0.09 1.79 0.20 0.50 -2.28 118.68 120.90 2rtn s LEU 110 Ca -0.06 -0.60 0.01 0.00 0.69 0.00 0.00 54.13 54.17 2rtn s LEU 110 Cb -0.13 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.21 2rtn s LEU 110 CO 0.03 0.01 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.10 2rtn s THR 111 N 1.20 3.35 0.09 3.68 2.01 -0.93 -1.04 115.64 123.99 2rtn s THR 111 Ca 0.02 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.48 2rtn s THR 111 Cb -0.14 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 2rtn s THR 111 CO -0.09 0.57 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.89 2rtn s SER 112 N -0.36 4.58 -0.36 3.53 0.01 -0.95 -1.91 113.70 118.24 2rtn s SER 112 Ca 0.04 -0.30 -0.29 0.00 1.31 0.00 0.00 55.95 56.71 2rtn s SER 112 Cb -0.12 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.17 2rtn s SER 112 CO 0.02 0.19 1.13 -0.83 0.41 0.00 0.00 173.24 174.16 2rtn s GLY 113 N -2.12 1.46 0.49 3.44 0.00 -0.84 -4.84 107.32 104.90 2rtn s GLY 113 Ca 0.22 -0.14 0.06 0.00 0.00 0.00 0.00 44.72 44.86 2rtn s GLY 113 CO 0.14 2.36 0.37 -0.51 0.00 0.00 0.00 173.10 175.46 2rtn s THR 114 N 3.97 2.04 0.68 0.90 -4.23 -1.26 -5.06 115.64 112.68 2rtn s THR 114 Ca 0.48 -1.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 2rtn s THR 114 Cb -0.11 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.27 2rtn s THR 114 CO 0.21 0.00 0.98 0.42 -0.54 0.00 0.00 174.62 175.68 2rtn s THR 115 N -2.66 2.36 0.43 3.99 -4.23 -1.26 -4.90 115.64 109.37 2rtn s THR 115 Ca 0.40 -0.32 0.11 0.00 -1.18 0.00 0.00 61.69 60.69 2rtn s THR 115 Cb -0.02 -3.01 0.29 0.00 1.34 0.00 0.00 72.50 71.11 2rtn s THR 115 CO 0.24 -0.01 2.03 -0.33 -0.54 0.00 0.00 174.62 176.01 2rtn h GLU 116 N -0.49 0.43 -0.78 3.99 4.39 -2.01 -2.38 114.58 117.73 2rtn h GLU 116 Ca -0.44 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.33 2rtn h GLU 116 Cb 1.31 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.81 2rtn h GLU 116 CO 0.59 0.29 0.51 0.00 -1.16 0.00 0.00 179.01 179.24 2rtn h ALA 117 N 1.74 1.78 -0.45 3.43 0.00 -2.06 -2.53 119.26 121.18 2rtn h ALA 117 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2rtn h ALA 117 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2rtn h ALA 117 CO -0.05 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.35 2rtn n ASN 118 N -4.50 3.25 -0.18 0.00 3.02 -0.91 -4.59 115.26 111.34 2rtn n ASN 118 Ca 0.13 -1.95 0.11 0.00 -0.03 0.00 0.00 54.58 52.84 2rtn n ASN 118 Cb 0.33 -0.30 0.42 0.00 -0.61 0.00 0.00 39.78 39.62 2rtn n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rtn h ALA 119 N 3.14 1.87 -0.28 5.41 0.00 -1.32 -1.48 119.26 126.61 2rtn h ALA 119 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2rtn h ALA 119 Cb 0.83 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2rtn h ALA 119 CO 0.00 -0.04 0.20 0.11 0.00 0.00 0.00 179.25 179.52 2rtn h TRP 120 N 0.61 0.03 -0.80 0.00 5.08 -1.82 -1.64 115.95 117.42 2rtn h TRP 120 Ca 0.35 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.76 2rtn h TRP 120 Cb 0.55 -0.01 -0.35 0.00 -3.00 0.00 0.00 29.16 26.34 2rtn h TRP 120 CO -0.00 0.01 -0.19 0.36 -1.28 0.00 0.00 178.44 177.34 2rtn n LYS 121 N -4.46 3.15 0.02 0.12 2.85 -0.56 -4.69 118.16 114.59 2rtn n LYS 121 Ca 0.04 -3.79 -0.02 0.00 -1.05 0.00 0.00 58.31 53.49 2rtn n LYS 121 Cb 0.34 -2.24 -0.09 0.00 -0.65 0.00 0.00 35.03 32.39 2rtn n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rtn n SER 122 N -0.82 0.87 -4.35 -5.58 3.41 -0.62 -4.93 113.62 101.60 2rtn n SER 122 Ca 0.49 0.39 -0.35 0.00 -0.26 0.00 0.00 58.87 59.14 2rtn n SER 122 Cb 0.87 0.10 -0.14 0.00 -0.26 0.00 0.00 64.21 64.79 2rtn n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rtn s THR 123 N -2.85 3.68 0.02 6.66 2.01 -1.26 -2.24 115.64 121.66 2rtn s THR 123 Ca -0.03 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 2rtn s THR 123 Cb 0.08 -2.69 -0.06 0.00 0.01 0.00 0.00 72.50 69.84 2rtn s THR 123 CO 0.81 0.39 0.47 -0.76 -0.69 0.00 0.00 174.62 174.85 2rtn s LEU 124 N 1.52 4.49 0.13 4.42 1.43 -0.20 -4.89 118.68 125.58 2rtn s LEU 124 Ca 0.06 1.07 0.11 0.00 -1.03 0.00 0.00 54.13 54.34 2rtn s LEU 124 Cb -0.15 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2rtn s LEU 124 CO -0.01 0.29 -0.26 0.54 0.23 0.00 0.00 176.35 177.14 2rtn s VAL 125 N -1.02 2.29 0.00 -1.59 0.11 -1.26 -0.37 120.40 118.56 2rtn s VAL 125 Ca 0.26 -1.76 0.00 0.00 -2.93 0.00 0.00 61.98 57.55 2rtn s VAL 125 Cb -0.18 -2.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 2rtn s VAL 125 CO 0.15 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 2rtn n GLY 126 N 0.87 1.63 3.28 6.54 0.00 -1.01 -4.97 105.19 111.53 2rtn n GLY 126 Ca -0.18 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 2rtn n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rtn s HIS 127 N -5.62 -0.48 0.06 1.61 -3.43 -1.26 -0.64 115.29 105.52 2rtn s HIS 127 Ca 0.00 1.12 0.05 0.00 -0.80 0.00 0.00 55.06 55.42 2rtn s HIS 127 Cb 0.00 0.18 -0.03 0.00 -1.43 0.00 0.00 32.58 31.30 2rtn s HIS 127 CO 0.00 -0.25 -0.13 -0.51 -2.00 0.00 0.00 174.74 171.85 2rtn s ASP 128 N 0.57 1.52 -0.10 7.38 1.01 -0.89 -4.98 116.67 121.17 2rtn s ASP 128 Ca -0.03 -0.56 0.00 0.00 0.71 0.00 0.00 52.55 52.67 2rtn s ASP 128 Cb -0.05 -0.05 0.02 0.00 1.01 0.00 0.00 42.92 43.86 2rtn s ASP 128 CO -0.03 -0.07 -0.09 -0.89 0.21 0.00 0.00 175.17 174.30 2rtn s THR 129 N -1.17 1.07 -0.10 -1.27 2.01 -1.26 -0.72 115.64 114.20 2rtn s THR 129 Ca -0.02 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 2rtn s THR 129 Cb -0.09 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2rtn s THR 129 CO 0.02 0.37 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.95 2rtn s PHE 130 N 1.46 3.13 0.09 4.92 0.08 -0.15 -2.97 117.98 124.54 2rtn s PHE 130 Ca 0.00 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.17 2rtn s PHE 130 Cb -0.13 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2rtn s PHE 130 CO -0.06 0.37 -0.04 0.95 -0.10 0.00 0.00 175.22 176.34 2rtn s THR 131 N -0.62 0.51 -1.40 0.64 -4.23 -0.54 -0.87 115.64 109.13 2rtn s THR 131 Ca 0.10 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.76 2rtn s THR 131 Cb -0.12 -1.71 0.23 0.00 1.34 0.00 0.00 72.50 72.24 2rtn s THR 131 CO 0.02 -0.84 1.03 0.29 -0.54 0.00 0.00 174.62 174.59 2rtn n LYS 132 N -0.02 1.86 0.00 3.99 5.02 -1.26 -0.88 118.16 126.86 2rtn n LYS 132 Ca -0.12 -0.90 0.13 0.00 -2.02 0.00 0.00 58.31 55.41 2rtn n LYS 132 Cb 0.61 -1.45 0.39 0.00 -0.02 0.00 0.00 35.03 34.56 2rtn n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16