#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rto h GLU 14 N 0.00 -0.12 -0.77 0.00 -0.00 -1.88 -2.81 114.58 109.00 2rto h GLU 14 Ca 0.00 0.01 0.15 0.00 -0.00 0.00 0.00 59.36 59.51 2rto h GLU 14 Cb 0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 28.75 28.63 2rto h GLU 14 CO 0.00 -0.08 -0.25 0.00 -0.00 0.00 0.00 179.01 178.68 2rto h ALA 15 N 1.09 0.36 -0.01 1.06 0.00 -1.93 0.14 119.26 119.97 2rto h ALA 15 Ca 0.15 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2rto h ALA 15 Cb 0.35 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2rto h ALA 15 CO -0.37 -0.49 -0.33 0.78 0.00 0.00 0.00 179.25 178.84 2rto h GLY 16 N -0.04 0.03 1.42 0.00 0.00 -1.94 -2.90 103.07 99.63 2rto h GLY 16 Ca 0.35 -0.02 -0.31 0.00 0.00 0.00 0.00 47.33 47.35 2rto h GLY 16 CO -0.81 0.02 -1.39 -2.22 0.00 0.00 0.00 176.54 172.14 2rto h ILE 17 N 0.02 1.37 -2.68 2.60 2.04 -1.10 -3.45 117.51 116.31 2rto h ILE 17 Ca 0.00 -2.86 -0.57 0.00 1.00 0.00 0.00 64.86 62.42 2rto h ILE 17 Cb 0.60 2.99 0.08 0.00 -0.74 0.00 0.00 36.82 39.75 2rto h ILE 17 CO 0.04 0.85 0.70 0.41 0.00 0.00 0.00 178.15 180.16 2rto n THR 18 N -3.62 0.73 -1.32 -0.27 -1.04 0.35 -4.81 114.28 104.30 2rto n THR 18 Ca -0.13 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2rto n THR 18 Cb 1.07 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 2rto n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rto n GLY 19 N 2.47 0.29 3.54 3.41 0.00 -0.48 -4.54 105.19 109.88 2rto n GLY 19 Ca 0.12 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 2rto n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rto s THR 20 N -2.50 4.02 0.08 2.61 2.01 0.57 -1.30 115.64 121.14 2rto s THR 20 Ca 0.00 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.72 2rto s THR 20 Cb 0.00 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2rto s THR 20 CO 0.00 0.51 -0.11 0.26 -0.69 0.00 0.00 174.62 174.59 2rto s TRP 21 N 0.13 1.05 0.09 4.92 0.52 -0.27 -0.88 118.94 124.49 2rto s TRP 21 Ca -0.00 -0.58 0.03 0.00 0.02 0.00 0.00 56.10 55.57 2rto s TRP 21 Cb -0.13 -0.58 -0.03 0.00 -1.15 0.00 0.00 33.47 31.57 2rto s TRP 21 CO 0.02 0.01 -0.09 1.52 0.02 0.00 0.00 176.95 178.43 2rto s TYR 22 N -2.00 0.97 0.51 -1.98 -0.85 -0.47 -1.65 117.35 111.88 2rto s TYR 22 Ca 0.01 -0.66 0.01 0.00 -0.52 0.00 0.00 57.07 55.91 2rto s TYR 22 Cb -0.06 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 41.73 2rto s TYR 22 CO 0.01 -0.04 0.01 0.54 -1.52 0.00 0.00 175.55 174.55 2rto s ASN 23 N -2.36 4.14 0.55 -0.18 2.20 -1.12 -0.45 114.94 117.71 2rto s ASN 23 Ca 0.03 -1.65 0.37 0.00 -0.94 0.00 0.00 52.86 50.67 2rto s ASN 23 Cb -0.03 0.53 1.91 0.00 -2.00 0.00 0.00 41.25 41.66 2rto s ASN 23 CO -0.01 -0.86 2.11 0.06 -2.94 0.00 0.00 177.10 175.47 2rto h GLN 24 N 1.34 0.00 0.00 3.55 -0.00 -1.93 -2.41 115.11 115.66 2rto h GLN 24 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 2rto h GLN 24 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 2rto h GLN 24 CO 0.74 0.00 -0.56 1.28 -0.00 0.00 0.00 178.83 180.29 2rto n LEU 25 N -2.84 0.66 0.00 0.06 4.77 -1.26 -4.94 117.00 113.46 2rto n LEU 25 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2rto n LEU 25 Cb 0.10 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2rto n LEU 25 CO 0.18 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2rto n GLY 26 N 1.36 1.02 3.85 -0.72 0.00 -0.91 -4.79 105.19 105.00 2rto n GLY 26 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2rto n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rto s SER 27 N -2.00 6.69 -0.09 1.61 0.01 -1.26 -4.63 113.70 114.03 2rto s SER 27 Ca 0.00 1.47 0.01 0.00 1.31 0.00 0.00 55.95 58.73 2rto s SER 27 Cb 0.00 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 2rto s SER 27 CO 0.00 -0.45 -0.10 -0.89 0.41 0.00 0.00 173.24 172.21 2rto s THR 28 N -2.40 3.43 -0.08 1.44 2.01 0.19 -2.81 115.64 117.43 2rto s THR 28 Ca 0.57 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2rto s THR 28 Cb -0.10 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 70.02 2rto s THR 28 CO 0.26 0.57 -0.10 0.12 -0.69 0.00 0.00 174.62 174.77 2rto s PHE 29 N -0.38 1.37 -0.23 4.92 5.36 -0.66 -0.29 117.98 128.06 2rto s PHE 29 Ca 0.05 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.48 2rto s PHE 29 Cb -0.12 -1.06 0.03 0.00 -0.34 0.00 0.00 43.02 41.53 2rto s PHE 29 CO 0.02 -0.33 -0.12 0.42 -1.46 0.00 0.00 175.22 173.75 2rto s ILE 30 N 1.00 2.39 0.05 3.12 -1.09 0.04 -1.12 121.20 125.60 2rto s ILE 30 Ca -0.08 -1.16 0.02 0.00 -2.23 0.00 0.00 60.65 57.20 2rto s ILE 30 Cb -0.15 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 2rto s ILE 30 CO -0.00 0.26 -0.07 0.54 -1.23 0.00 0.00 174.94 174.44 2rto s VAL 31 N 1.25 0.53 -0.11 2.92 0.11 -0.42 -1.56 120.40 123.13 2rto s VAL 31 Ca -0.01 -1.23 0.02 0.00 -2.93 0.00 0.00 61.98 57.83 2rto s VAL 31 Cb -0.16 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 2rto s VAL 31 CO -0.08 -0.49 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.16 2rto s THR 32 N -1.82 1.52 -0.23 5.04 2.01 -0.52 -1.38 115.64 120.25 2rto s THR 32 Ca -0.06 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 2rto s THR 32 Cb -0.07 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2rto s THR 32 CO -0.01 0.44 0.24 0.00 -0.69 0.00 0.00 174.62 174.60 2rto s ALA 33 N 0.95 3.59 0.47 7.40 0.00 -1.26 -2.54 121.76 130.37 2rto s ALA 33 Ca -0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2rto s ALA 33 Cb -0.15 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 2rto s ALA 33 CO -0.01 -0.25 0.71 0.20 0.00 0.00 0.00 175.76 176.41 2rto s GLY 34 N 1.08 1.56 0.29 0.00 0.00 0.14 -4.72 107.32 105.68 2rto s GLY 34 Ca 0.11 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.89 2rto s GLY 34 CO 0.06 -0.78 1.83 0.00 0.00 0.00 0.00 173.10 174.20 2rto h ALA 35 N 0.31 1.56 0.00 3.20 0.00 -1.98 -2.19 119.26 120.16 2rto h ALA 35 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2rto h ALA 35 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2rto h ALA 35 CO 0.58 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 2rto n ASP 36 N -4.63 0.37 0.00 0.00 5.75 -1.26 -4.83 116.55 111.95 2rto n ASP 36 Ca 0.19 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 2rto n ASP 36 Cb 0.39 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2rto n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rto n GLY 37 N 0.22 0.62 3.91 6.12 0.00 -0.82 -4.98 105.19 110.26 2rto n GLY 37 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 2rto n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rto s ALA 38 N -2.00 3.84 -0.07 4.61 0.00 -1.24 -0.90 121.76 126.00 2rto s ALA 38 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2rto s ALA 38 Cb 0.00 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.09 2rto s ALA 38 CO 0.00 0.63 -0.14 -0.51 0.00 0.00 0.00 175.76 175.73 2rto s LEU 39 N -2.83 1.73 0.03 0.00 1.43 -0.31 0.25 118.68 118.97 2rto s LEU 39 Ca 0.39 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 2rto s LEU 39 Cb -0.12 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 2rto s LEU 39 CO 0.27 0.06 0.09 0.42 0.23 0.00 0.00 176.35 177.41 2rto s THR 40 N 0.59 0.12 -3.31 5.49 -4.23 -1.05 -1.38 115.64 111.87 2rto s THR 40 Ca -0.15 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2rto s THR 40 Cb -0.16 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2rto s THR 40 CO 0.05 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2rto n GLY 41 N 0.98 -0.52 3.05 3.99 0.00 -0.91 -1.44 105.19 110.32 2rto n GLY 41 Ca -0.20 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 2rto n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rto s THR 42 N -3.12 0.41 -0.03 2.61 -4.23 -0.60 -1.53 115.64 109.16 2rto s THR 42 Ca 0.00 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2rto s THR 42 Cb 0.00 -0.69 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 2rto s THR 42 CO 0.00 -0.51 -0.18 -0.47 -0.54 0.00 0.00 174.62 172.91 2rto s TYR 43 N -1.82 1.72 -0.30 3.99 6.14 -0.12 -0.78 117.35 126.17 2rto s TYR 43 Ca -0.08 -0.39 0.02 0.00 0.64 0.00 0.00 57.07 57.26 2rto s TYR 43 Cb -0.07 -1.13 0.09 0.00 0.42 0.00 0.00 41.96 41.27 2rto s TYR 43 CO -0.01 -0.08 0.02 -2.00 0.64 0.00 0.00 175.55 174.12 2rto s GLU 44 N -0.27 1.43 0.30 4.97 2.12 0.60 -1.07 118.70 126.77 2rto s GLU 44 Ca 0.03 -1.48 -0.10 0.00 0.36 0.00 0.00 54.97 53.78 2rto s GLU 44 Cb -0.09 -2.80 -0.07 0.00 0.26 0.00 0.00 34.13 31.43 2rto s GLU 44 CO 0.00 -0.84 0.64 0.45 -0.54 0.00 0.00 175.26 174.97 2rto s SER 45 N 1.17 6.61 -0.01 -1.70 0.15 -1.26 -0.64 113.70 118.03 2rto s SER 45 Ca 0.05 1.01 0.21 0.00 0.70 0.00 0.00 55.95 57.92 2rto s SER 45 Cb -0.19 -2.27 -0.24 0.00 -1.71 0.00 0.00 66.02 61.61 2rto s SER 45 CO -0.11 -0.19 0.55 0.00 1.20 0.00 0.00 173.24 174.69 2rto n ALA 46 N -0.55 2.44 -2.49 5.45 0.00 -1.26 -4.86 120.51 119.25 2rto n ALA 46 Ca 0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.61 2rto n ALA 46 Cb 0.53 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 19.13 2rto n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2rto s VAL 47 N -3.26 1.75 0.00 0.00 -7.23 -1.26 -5.06 120.40 105.35 2rto s VAL 47 Ca -0.06 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 2rto s VAL 47 Cb 0.11 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2rto s VAL 47 CO 0.86 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 176.10 2rto n GLY 48 N -0.72 -2.30 2.82 2.32 0.00 -1.26 -4.52 105.19 101.52 2rto n GLY 48 Ca -0.05 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2rto n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rto n ASN 49 N 0.22 6.08 -3.64 1.61 5.15 -1.26 -4.87 115.26 118.56 2rto n ASN 49 Ca 0.00 -3.23 -0.22 0.00 -0.60 0.00 0.00 54.58 50.53 2rto n ASN 49 Cb 0.00 -1.39 -0.17 0.00 -0.53 0.00 0.00 39.78 37.69 2rto n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rto s ALA 50 N -1.00 0.25 -0.18 5.20 0.00 -1.26 -4.34 121.76 120.43 2rto s ALA 50 Ca 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 2rto s ALA 50 Cb 0.11 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2rto s ALA 50 CO 0.01 -0.79 -0.16 -1.83 0.00 0.00 0.00 175.76 172.99 2rto s GLU 51 N 2.18 3.13 1.34 0.00 -1.05 -1.26 -4.87 118.70 118.16 2rto s GLU 51 Ca 0.04 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 2rto s GLU 51 Cb -0.14 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 2rto s GLU 51 CO -0.06 -0.14 0.00 0.45 0.95 0.00 0.00 175.26 176.46 2rto n SER 52 N 4.48 0.00 -4.91 0.83 2.88 -1.26 -4.64 113.62 111.00 2rto n SER 52 Ca -0.20 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.03 2rto n SER 52 Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 2rto n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rto s ARG 53 N 0.00 3.56 0.03 -1.46 0.52 -1.26 -4.21 118.95 116.13 2rto s ARG 53 Ca 0.00 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 2rto s ARG 53 Cb 0.00 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 2rto s ARG 53 CO 0.00 0.51 -0.09 0.71 0.02 0.00 0.00 175.30 176.45 2rto s TYR 54 N -1.62 0.82 0.25 -0.53 1.51 -0.24 -4.87 117.35 112.68 2rto s TYR 54 Ca 0.39 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.81 2rto s TYR 54 Cb -0.12 -0.49 -0.09 0.00 -0.11 0.00 0.00 41.96 41.14 2rto s TYR 54 CO 0.26 -0.02 1.05 0.08 -1.11 0.00 0.00 175.55 175.81 2rto s VAL 55 N -0.86 3.71 0.05 0.71 1.01 -1.26 -0.95 120.40 122.80 2rto s VAL 55 Ca -0.03 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.69 2rto s VAL 55 Cb -0.07 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2rto s VAL 55 CO 0.01 0.39 -0.15 -1.48 0.00 0.00 0.00 175.10 173.86 2rto s LEU 56 N -1.21 2.19 0.00 3.92 0.05 -0.58 -4.42 118.68 118.63 2rto s LEU 56 Ca 0.44 -0.50 0.00 0.00 0.05 0.00 0.00 54.13 54.12 2rto s LEU 56 Cb -0.30 -0.66 -0.00 0.00 -2.05 0.00 0.00 46.19 43.18 2rto s LEU 56 CO 0.38 0.04 -0.00 0.28 -0.55 0.00 0.00 176.35 176.49 2rto s THR 57 N -0.92 0.02 0.03 5.48 -1.32 -1.01 -2.15 115.64 115.76 2rto s THR 57 Ca 0.02 -0.04 -0.01 0.00 -1.21 0.00 0.00 61.69 60.44 2rto s THR 57 Cb -0.08 -0.03 0.01 0.00 -1.51 0.00 0.00 72.50 70.88 2rto s THR 57 CO 0.02 -0.02 0.07 0.61 -2.21 0.00 0.00 174.62 173.09 2rto n GLY 58 N 3.02 1.86 3.09 6.08 0.00 -0.48 -1.23 105.19 117.53 2rto n GLY 58 Ca -0.13 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 2rto n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rto s ARG 59 N -2.01 0.59 0.25 1.61 1.81 -1.01 -1.17 118.95 119.02 2rto s ARG 59 Ca 0.01 -0.96 -0.03 0.00 -1.72 0.00 0.00 55.73 53.03 2rto s ARG 59 Cb -0.00 0.22 -0.02 0.00 -0.45 0.00 0.00 34.95 34.69 2rto s ARG 59 CO 0.01 -0.13 0.29 1.52 -0.68 0.00 0.00 175.30 176.31 2rto s TYR 60 N -3.16 1.01 -0.69 -0.53 1.13 -0.08 -2.40 117.35 112.63 2rto s TYR 60 Ca -0.00 -1.23 -0.21 0.00 -1.41 0.00 0.00 57.07 54.21 2rto s TYR 60 Cb 0.02 -0.32 0.09 0.00 -1.10 0.00 0.00 41.96 40.65 2rto s TYR 60 CO -0.07 -0.83 0.95 0.34 -2.51 0.00 0.00 175.55 173.43 2rto s ASP 61 N -3.16 6.25 0.62 -0.18 3.68 -0.72 -4.69 116.67 118.48 2rto s ASP 61 Ca 0.34 -1.24 0.37 0.00 2.13 0.00 0.00 52.55 54.14 2rto s ASP 61 Cb 0.03 -2.40 2.05 0.00 -1.45 0.00 0.00 42.92 41.16 2rto s ASP 61 CO 0.14 -1.33 2.28 0.77 0.13 0.00 0.00 175.17 177.17 2rto h SER 62 N 9.39 0.00 -2.74 -0.34 4.64 -1.91 -3.23 113.55 119.36 2rto h SER 62 Ca -0.21 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.48 2rto h SER 62 Cb 1.07 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.74 2rto h SER 62 CO 1.16 0.01 -0.51 0.00 -0.87 0.00 0.00 176.83 176.62 2rto n ALA 63 N -2.20 3.76 -1.00 5.18 0.00 -1.26 -4.56 120.51 120.43 2rto n ALA 63 Ca -0.03 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.77 2rto n ALA 63 Cb 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2rto n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2rto n PRO 64 N 1.51 0.37 -4.10 0.00 -0.04 -1.22 -5.04 135.00 126.48 2rto n PRO 64 Ca 0.24 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.48 2rto n PRO 64 Cb 0.37 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.79 2rto n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rto s ALA 65 N -2.04 3.61 -1.26 0.55 0.00 -1.26 -5.02 121.76 116.34 2rto s ALA 65 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.45 2rto s ALA 65 Cb 0.00 -1.31 0.18 0.00 0.00 0.00 0.00 23.12 21.99 2rto s ALA 65 CO 0.00 0.24 1.82 0.25 0.00 0.00 0.00 175.76 178.08 2rto n THR 66 N -1.19 4.46 -3.31 0.00 -2.24 -1.26 -4.75 114.28 105.99 2rto n THR 66 Ca -0.08 -4.59 -0.02 0.00 -2.27 0.00 0.00 64.05 57.10 2rto n THR 66 Cb 0.58 -2.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 2rto n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2rto n ASP 67 N 3.60 -0.40 -3.20 3.42 5.68 -1.26 -5.02 116.55 119.37 2rto n ASP 67 Ca 0.38 -1.33 -0.37 0.00 -0.50 0.00 0.00 54.79 52.96 2rto n ASP 67 Cb 0.36 0.68 -0.00 0.00 -1.14 0.00 0.00 41.12 41.02 2rto n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rto n GLY 68 N -0.11 5.30 3.98 6.12 0.00 -1.26 -4.91 105.19 114.31 2rto n GLY 68 Ca -0.01 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.60 2rto n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rto s SER 69 N -0.31 5.78 0.43 1.61 0.01 -1.26 -5.11 113.70 114.86 2rto s SER 69 Ca 0.51 -0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.53 2rto s SER 69 Cb 0.27 -1.00 0.01 0.00 0.21 0.00 0.00 66.02 65.51 2rto s SER 69 CO -0.19 -0.54 0.60 -0.83 0.41 0.00 0.00 173.24 172.69 2rto s GLY 70 N -4.21 1.89 -0.27 3.44 0.00 -1.26 -4.91 107.32 102.00 2rto s GLY 70 Ca 0.48 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 2rto s GLY 70 CO 0.31 -1.39 0.18 -1.59 0.00 0.00 0.00 173.10 170.61 2rto s THR 71 N -2.41 5.29 0.21 0.90 2.01 0.01 -4.80 115.64 116.85 2rto s THR 71 Ca 0.54 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 2rto s THR 71 Cb -0.10 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 2rto s THR 71 CO 0.34 0.28 0.99 0.00 -0.69 0.00 0.00 174.62 175.54 2rto s ALA 72 N 1.54 3.33 0.28 7.40 0.00 -1.26 -0.42 121.76 132.63 2rto s ALA 72 Ca 0.07 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.61 2rto s ALA 72 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2rto s ALA 72 CO 0.09 0.05 0.49 -0.48 0.00 0.00 0.00 175.76 175.90 2rto s LEU 73 N -0.82 0.52 0.00 0.00 0.05 -0.91 -1.75 118.68 115.78 2rto s LEU 73 Ca 0.44 -1.12 -0.28 0.00 0.05 0.00 0.00 54.13 53.21 2rto s LEU 73 Cb -0.27 1.71 0.10 0.00 -2.05 0.00 0.00 46.19 45.69 2rto s LEU 73 CO 0.33 -1.22 0.85 -0.83 -0.55 0.00 0.00 176.35 174.93 2rto s GLY 74 N -3.09 -0.47 0.20 -3.48 0.00 -1.01 -2.20 107.32 97.26 2rto s GLY 74 Ca 0.25 1.04 -0.20 0.00 0.00 0.00 0.00 44.72 45.80 2rto s GLY 74 CO 0.13 0.39 0.60 0.66 0.00 0.00 0.00 173.10 174.88 2rto s TRP 75 N -2.97 -0.30 0.05 1.90 -2.14 -0.82 -2.40 118.94 112.25 2rto s TRP 75 Ca 0.03 -0.02 0.06 0.00 2.66 0.00 0.00 56.10 58.83 2rto s TRP 75 Cb -0.01 0.54 -0.02 0.00 -3.10 0.00 0.00 33.47 30.87 2rto s TRP 75 CO -0.08 -0.97 -0.17 0.99 -2.66 0.00 0.00 176.95 174.07 2rto s THR 76 N -3.84 1.32 -0.04 0.66 2.01 -0.36 -1.27 115.64 114.13 2rto s THR 76 Ca 0.06 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 60.95 2rto s THR 76 Cb -0.02 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.33 2rto s THR 76 CO -0.04 0.04 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.21 2rto s VAL 77 N -0.89 0.35 -0.16 3.82 1.01 -0.82 -2.41 120.40 121.30 2rto s VAL 77 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 2rto s VAL 77 Cb -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2rto s VAL 77 CO 0.02 0.18 0.00 0.00 0.00 0.00 0.00 175.10 175.30 2rto s ALA 78 N 0.94 3.18 -1.41 5.51 0.00 -1.26 -1.21 121.76 127.51 2rto s ALA 78 Ca -0.11 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 2rto s ALA 78 Cb -0.14 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 2rto s ALA 78 CO -0.01 0.25 2.76 0.91 0.00 0.00 0.00 175.76 179.67 2rto n TRP 79 N 3.36 2.37 -4.10 0.00 7.02 -0.43 -4.80 117.44 120.87 2rto n TRP 79 Ca -0.17 -2.89 -0.17 0.00 -1.02 0.00 0.00 57.50 53.24 2rto n TRP 79 Cb 0.52 -2.17 -0.15 0.00 -2.42 0.00 0.00 31.31 27.09 2rto n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2rto s LYS 80 N 0.68 0.50 0.00 -0.99 2.20 -1.26 -0.62 119.74 120.25 2rto s LYS 80 Ca 0.63 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 2rto s LYS 80 Cb 0.19 -0.55 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 2rto s LYS 80 CO -0.08 -0.01 0.00 0.27 -0.36 0.00 0.00 175.35 175.17 2rto n ASN 81 N 3.60 0.00 0.05 1.43 0.23 0.11 -4.84 115.26 115.84 2rto n ASN 81 Ca -0.21 -0.72 0.11 0.00 -0.53 0.00 0.00 54.58 53.23 2rto n ASN 81 Cb 0.54 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.69 2rto n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2rto n ASN 82 N -1.54 0.32 -0.08 0.53 5.03 -1.26 -3.75 115.26 114.51 2rto n ASN 82 Ca 0.00 0.56 -0.11 0.00 0.87 0.00 0.00 54.58 55.90 2rto n ASN 82 Cb 0.00 -0.63 -0.08 0.00 -1.02 0.00 0.00 39.78 38.04 2rto n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2rto n TYR 83 N -1.83 0.00 -4.29 3.10 4.01 -1.26 -5.07 117.16 111.82 2rto n TYR 83 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.62 2rto n TYR 83 Cb 0.28 -0.66 -0.10 0.00 -0.31 0.00 0.00 39.34 38.55 2rto n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rto s ARG 84 N -2.34 1.43 -0.29 -0.72 0.52 -1.25 -5.02 118.95 111.28 2rto s ARG 84 Ca -0.20 -1.79 0.04 0.00 -0.52 0.00 0.00 55.73 53.26 2rto s ARG 84 Cb 0.06 -0.06 0.18 0.00 0.52 0.00 0.00 34.95 35.65 2rto s ARG 84 CO 0.43 -0.38 0.51 1.21 0.02 0.00 0.00 175.30 177.09 2rto s ASN 85 N -3.30 -0.77 0.00 0.23 3.84 -1.26 -0.71 114.94 112.98 2rto s ASN 85 Ca 0.37 0.00 0.29 0.00 0.21 0.00 0.00 52.86 53.73 2rto s ASN 85 Cb 0.07 1.65 1.19 0.00 -0.55 0.00 0.00 41.25 43.60 2rto s ASN 85 CO 0.15 -0.32 1.82 0.00 -2.79 0.00 0.00 177.10 175.96 2rto n ALA 86 N 5.39 2.65 -3.85 1.71 0.00 0.21 -4.95 120.51 121.67 2rto n ALA 86 Ca 0.03 -0.39 -0.25 0.00 0.00 0.00 0.00 53.44 52.83 2rto n ALA 86 Cb 0.52 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.75 2rto n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rto n HIS 87 N -0.17 -1.91 -3.87 0.00 8.25 -1.26 -4.88 115.22 111.38 2rto n HIS 87 Ca 0.19 0.83 -0.09 0.00 -0.26 0.00 0.00 57.72 58.38 2rto n HIS 87 Cb 0.31 -4.04 -0.05 0.00 1.12 0.00 0.00 29.99 27.33 2rto n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2rto s SER 88 N -4.09 -0.12 -0.02 0.41 1.04 -1.26 -1.44 113.70 108.22 2rto s SER 88 Ca 0.18 -0.71 -0.14 0.00 0.48 0.00 0.00 55.95 55.76 2rto s SER 88 Cb -0.09 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2rto s SER 88 CO 0.84 -1.02 0.29 0.00 0.98 0.00 0.00 173.24 174.34 2rto s ALA 89 N -3.94 -0.74 0.09 5.32 0.00 -0.36 -1.31 121.76 120.82 2rto s ALA 89 Ca 0.15 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.51 2rto s ALA 89 Cb 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 2rto s ALA 89 CO 0.01 -0.25 -0.21 0.99 0.00 0.00 0.00 175.76 176.30 2rto s THR 90 N -1.23 1.69 -0.04 0.00 2.01 -0.35 -1.21 115.64 116.51 2rto s THR 90 Ca -0.13 -1.47 0.03 0.00 0.31 0.00 0.00 61.69 60.43 2rto s THR 90 Cb -0.05 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.93 2rto s THR 90 CO 0.04 -0.01 -0.12 0.42 -0.69 0.00 0.00 174.62 174.26 2rto s THR 91 N -1.09 1.03 -0.10 -0.82 -4.23 -0.71 -1.95 115.64 107.76 2rto s THR 91 Ca 0.06 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2rto s THR 91 Cb -0.10 -0.91 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 2rto s THR 91 CO 0.04 0.31 -0.09 0.26 -0.54 0.00 0.00 174.62 174.60 2rto s TRP 92 N 0.24 2.88 -0.09 3.99 0.51 -0.39 -1.90 118.94 124.17 2rto s TRP 92 Ca -0.05 -0.28 0.02 0.00 -2.12 0.00 0.00 56.10 53.67 2rto s TRP 92 Cb -0.11 -1.79 0.02 0.00 -0.81 0.00 0.00 33.47 30.78 2rto s TRP 92 CO 0.01 0.07 -0.13 0.45 -0.51 0.00 0.00 176.95 176.84 2rto s SER 93 N -0.20 2.11 0.00 2.95 0.15 0.07 -1.95 113.70 116.83 2rto s SER 93 Ca 0.02 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2rto s SER 93 Cb -0.13 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2rto s SER 93 CO 0.03 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2rto n GLY 94 N 4.16 2.15 3.08 9.45 0.00 -0.94 -1.40 105.19 121.70 2rto n GLY 94 Ca -0.20 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 2rto n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rto s GLN 95 N 1.04 0.74 -0.13 1.61 -0.21 -0.81 -2.13 119.66 119.76 2rto s GLN 95 Ca 0.00 -0.61 -0.07 0.00 0.02 0.00 0.00 55.36 54.70 2rto s GLN 95 Cb 0.00 -0.69 -0.04 0.00 1.00 0.00 0.00 33.01 33.28 2rto s GLN 95 CO 0.00 0.17 0.11 -0.47 -2.12 0.00 0.00 175.29 172.98 2rto s TYR 96 N -0.77 3.45 -0.09 0.91 5.04 0.44 -2.01 117.35 124.32 2rto s TYR 96 Ca -0.01 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 2rto s TYR 96 Cb -0.07 -1.97 0.02 0.00 0.35 0.00 0.00 41.96 40.30 2rto s TYR 96 CO 0.01 0.55 -0.08 0.08 -1.34 0.00 0.00 175.55 174.77 2rto s VAL 97 N -0.61 0.92 0.32 3.14 1.01 -0.42 -0.81 120.40 123.95 2rto s VAL 97 Ca 0.12 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2rto s VAL 97 Cb -0.12 -0.92 0.05 0.00 0.00 0.00 0.00 36.38 35.39 2rto s VAL 97 CO 0.02 0.33 0.44 0.61 0.00 0.00 0.00 175.10 176.50 2rto n GLY 98 N 4.55 1.79 0.00 4.51 0.00 -1.26 -1.43 105.19 113.35 2rto n GLY 98 Ca -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.70 2rto n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rto n GLY 99 N 1.23 0.81 0.16 -0.02 0.00 -1.26 -4.71 105.19 101.40 2rto n GLY 99 Ca 0.09 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 2rto n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rto h ALA 100 N 0.00 0.13 -2.82 4.61 0.00 -2.07 -3.37 119.26 115.75 2rto h ALA 100 Ca 0.00 -0.56 -0.73 0.00 0.00 0.00 0.00 54.91 53.62 2rto h ALA 100 Cb 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.50 2rto h ALA 100 CO 0.00 0.41 -0.30 -1.21 0.00 0.00 0.00 179.25 178.15 2rto s GLU 101 N -3.42 2.69 0.01 0.00 2.02 -1.26 -5.05 118.70 113.69 2rto s GLU 101 Ca -0.13 -2.09 -0.24 0.00 0.02 0.00 0.00 54.97 52.54 2rto s GLU 101 Cb 0.05 -3.96 -0.05 0.00 0.10 0.00 0.00 34.13 30.27 2rto s GLU 101 CO 0.84 -1.21 0.72 0.00 0.02 0.00 0.00 175.26 175.63 2rto s ALA 102 N 0.77 3.38 0.11 5.21 0.00 -1.26 -4.80 121.76 125.18 2rto s ALA 102 Ca 0.11 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.29 2rto s ALA 102 Cb -0.22 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2rto s ALA 102 CO -0.03 0.04 -0.08 1.03 0.00 0.00 0.00 175.76 176.72 2rto s ARG 103 N 0.13 0.89 -0.12 0.00 1.81 -0.51 -3.35 118.95 117.79 2rto s ARG 103 Ca 0.37 -1.32 -0.01 0.00 -1.72 0.00 0.00 55.73 53.05 2rto s ARG 103 Cb -0.19 -0.38 0.03 0.00 -0.45 0.00 0.00 34.95 33.96 2rto s ARG 103 CO 0.21 0.03 -0.05 0.42 -0.68 0.00 0.00 175.30 175.22 2rto s ILE 104 N -3.27 0.92 -0.18 1.52 1.01 -0.97 -1.30 121.20 118.93 2rto s ILE 104 Ca 0.11 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2rto s ILE 104 Cb 0.03 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 2rto s ILE 104 CO -0.02 0.26 0.01 0.20 0.00 0.00 0.00 174.94 175.39 2rto s ASN 105 N 1.74 5.14 0.24 3.58 0.01 -0.85 -0.55 114.94 124.24 2rto s ASN 105 Ca 0.04 -0.06 0.01 0.00 -0.71 0.00 0.00 52.86 52.13 2rto s ASN 105 Cb -0.13 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 2rto s ASN 105 CO -0.08 0.15 0.14 0.42 -1.51 0.00 0.00 177.10 176.22 2rto s THR 106 N 0.50 0.15 0.01 1.60 -4.23 0.32 -1.91 115.64 112.07 2rto s THR 106 Ca -0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2rto s THR 106 Cb -0.14 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 2rto s THR 106 CO 0.02 0.00 -0.10 -1.10 -0.54 0.00 0.00 174.62 172.89 2rto s GLN 107 N -4.03 0.79 0.16 3.99 -0.21 -0.49 -2.29 119.66 117.59 2rto s GLN 107 Ca 0.39 -0.46 0.03 0.00 0.02 0.00 0.00 55.36 55.34 2rto s GLN 107 Cb 0.06 -0.76 -0.05 0.00 1.00 0.00 0.00 33.01 33.27 2rto s GLN 107 CO 0.14 0.20 -0.06 1.67 -2.12 0.00 0.00 175.29 175.12 2rto s TRP 108 N -0.44 1.26 -0.06 0.91 1.48 -0.56 -0.75 118.94 120.78 2rto s TRP 108 Ca 0.02 -0.85 0.02 0.00 -1.06 0.00 0.00 56.10 54.23 2rto s TRP 108 Cb -0.05 -0.68 0.02 0.00 -1.16 0.00 0.00 33.47 31.59 2rto s TRP 108 CO 0.00 -0.02 -0.08 -0.51 -4.06 0.00 0.00 176.95 172.28 2rto s LEU 109 N -3.18 1.50 -0.24 -4.66 1.43 -0.80 -2.36 118.68 110.37 2rto s LEU 109 Ca 0.19 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2rto s LEU 109 Cb 0.04 -0.65 0.04 0.00 0.03 0.00 0.00 46.19 45.65 2rto s LEU 109 CO 0.02 -0.01 -0.09 -0.22 0.23 0.00 0.00 176.35 176.28 2rto s LEU 110 N 0.78 3.13 -0.11 1.79 0.20 0.03 -1.74 118.68 122.76 2rto s LEU 110 Ca -0.13 -1.01 -0.01 0.00 0.69 0.00 0.00 54.13 53.67 2rto s LEU 110 Cb -0.15 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 43.98 2rto s LEU 110 CO 0.02 -0.13 -0.07 -0.89 -0.29 0.00 0.00 176.35 174.98 2rto s THR 111 N 1.25 3.61 0.03 3.68 2.01 -0.35 -0.52 115.64 125.35 2rto s THR 111 Ca -0.02 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.53 2rto s THR 111 Cb -0.17 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2rto s THR 111 CO -0.06 0.55 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.93 2rto s SER 112 N -0.18 4.74 0.29 3.53 0.01 -0.33 -1.23 113.70 120.53 2rto s SER 112 Ca 0.02 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 2rto s SER 112 Cb -0.13 -1.11 -0.10 0.00 0.21 0.00 0.00 66.02 64.90 2rto s SER 112 CO 0.03 0.25 1.13 -0.83 0.41 0.00 0.00 173.24 174.23 2rto s GLY 113 N -1.68 3.05 0.32 3.44 0.00 -0.52 -4.80 107.32 107.12 2rto s GLY 113 Ca 0.19 0.95 0.06 0.00 0.00 0.00 0.00 44.72 45.93 2rto s GLY 113 CO 0.10 1.57 0.29 -1.30 0.00 0.00 0.00 173.10 173.76 2rto n THR 114 N 1.14 0.00 -2.34 0.90 -2.24 -1.26 -5.04 114.28 105.44 2rto n THR 114 Ca -0.01 -2.23 -0.26 0.00 -2.27 0.00 0.00 64.05 59.28 2rto n THR 114 Cb 0.44 1.14 0.05 0.00 -2.10 0.00 0.00 70.33 69.86 2rto n THR 114 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2rto s THR 115 N -3.22 3.06 0.19 4.28 -4.23 -1.26 -4.90 115.64 109.57 2rto s THR 115 Ca 0.37 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.61 2rto s THR 115 Cb 0.02 -3.25 0.10 0.00 1.34 0.00 0.00 72.50 70.71 2rto s THR 115 CO 0.26 -0.26 1.79 -0.08 -0.54 0.00 0.00 174.62 175.80 2rto h GLU 116 N -0.32 0.55 -0.95 3.99 4.81 -2.01 -2.21 114.58 118.45 2rto h GLU 116 Ca -0.45 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 58.91 2rto h GLU 116 Cb 1.28 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 2rto h GLU 116 CO 0.60 0.36 0.60 0.00 -0.73 0.00 0.00 179.01 179.85 2rto h ALA 117 N 1.31 1.78 -0.47 2.92 0.00 -2.06 -2.50 119.26 120.22 2rto h ALA 117 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2rto h ALA 117 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2rto h ALA 117 CO -0.17 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.11 2rto n ASN 118 N -4.62 4.10 0.25 0.00 3.02 -0.87 -4.45 115.26 112.68 2rto n ASN 118 Ca 0.20 -2.48 0.07 0.00 -0.03 0.00 0.00 54.58 52.34 2rto n ASN 118 Cb 0.50 -0.48 0.60 0.00 -0.61 0.00 0.00 39.78 39.79 2rto n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rto h ALA 119 N 2.99 1.80 0.00 5.41 0.00 -0.97 -1.41 119.26 127.08 2rto h ALA 119 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rto h ALA 119 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2rto h ALA 119 CO 0.17 0.11 0.00 0.11 0.00 0.00 0.00 179.25 179.65 2rto h TRP 120 N 0.00 0.00 -0.10 0.00 5.08 -1.79 -2.18 115.95 116.95 2rto h TRP 120 Ca -0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.91 2rto h TRP 120 Cb 0.17 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.29 2rto h TRP 120 CO 0.00 0.00 -0.39 0.36 -1.28 0.00 0.00 178.44 177.13 2rto n LYS 121 N -2.66 1.67 0.10 0.12 2.85 -0.53 -4.75 118.16 114.95 2rto n LYS 121 Ca -0.02 -3.29 0.12 0.00 -1.05 0.00 0.00 58.31 54.08 2rto n LYS 121 Cb 0.09 -1.68 0.16 0.00 -0.65 0.00 0.00 35.03 32.95 2rto n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2rto h SER 122 N 1.01 0.00 -3.28 -5.58 4.64 -1.42 -3.47 113.55 105.45 2rto h SER 122 Ca 0.06 -0.11 -0.67 0.00 -0.47 0.00 0.00 61.79 60.61 2rto h SER 122 Cb 1.19 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.97 2rto h SER 122 CO 0.11 0.05 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.43 2rto s THR 123 N -3.21 2.64 0.14 2.95 2.01 -1.26 -1.19 115.64 117.73 2rto s THR 123 Ca 0.05 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2rto s THR 123 Cb 0.11 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2rto s THR 123 CO 0.71 0.52 0.19 -0.76 -0.69 0.00 0.00 174.62 174.60 2rto s LEU 124 N 0.77 4.07 0.05 4.42 1.43 0.32 -4.89 118.68 124.85 2rto s LEU 124 Ca -0.06 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 2rto s LEU 124 Cb -0.15 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 2rto s LEU 124 CO 0.01 0.09 -0.12 0.54 0.23 0.00 0.00 176.35 177.09 2rto s VAL 125 N -1.68 0.96 0.00 -1.59 0.11 -1.26 -0.79 120.40 116.15 2rto s VAL 125 Ca 0.33 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 2rto s VAL 125 Cb -0.11 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2rto s VAL 125 CO 0.26 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 2rto n GLY 126 N 1.61 1.52 3.11 6.54 0.00 -0.99 -4.99 105.19 111.97 2rto n GLY 126 Ca -0.20 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2rto n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rto s HIS 127 N -5.34 0.01 0.03 1.61 -3.43 -1.26 -1.50 115.29 105.40 2rto s HIS 127 Ca 0.00 -0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.23 2rto s HIS 127 Cb 0.00 -0.03 -0.02 0.00 -1.43 0.00 0.00 32.58 31.10 2rto s HIS 127 CO 0.00 -0.27 -0.06 -0.51 -2.00 0.00 0.00 174.74 171.89 2rto s ASP 128 N -1.23 0.70 -0.06 7.38 1.01 -0.97 -4.97 116.67 118.52 2rto s ASP 128 Ca -0.13 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 52.76 2rto s ASP 128 Cb -0.07 0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.88 2rto s ASP 128 CO 0.02 -0.14 -0.18 -0.89 0.21 0.00 0.00 175.17 174.19 2rto s THR 129 N -1.02 1.53 0.02 -1.27 2.01 -1.26 -0.52 115.64 115.13 2rto s THR 129 Ca -0.07 -0.74 0.06 0.00 0.31 0.00 0.00 61.69 61.25 2rto s THR 129 Cb -0.08 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 2rto s THR 129 CO 0.00 0.44 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.86 2rto s PHE 130 N 0.29 2.64 -0.07 4.92 0.40 0.29 -3.67 117.98 122.78 2rto s PHE 130 Ca -0.11 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 2rto s PHE 130 Cb -0.15 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 2rto s PHE 130 CO 0.04 0.26 -0.17 0.99 0.70 0.00 0.00 175.22 177.05 2rto s THR 131 N -0.91 2.76 0.23 0.64 2.01 0.40 -2.30 115.64 118.47 2rto s THR 131 Ca 0.15 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 2rto s THR 131 Cb -0.11 -2.08 -0.08 0.00 0.01 0.00 0.00 72.50 70.24 2rto s THR 131 CO 0.05 0.57 0.74 -0.75 -0.69 0.00 0.00 174.62 174.54 2rto s LYS 132 N -0.28 4.27 0.10 4.92 2.20 -1.21 -1.37 119.74 128.37 2rto s LYS 132 Ca 0.01 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 2rto s LYS 132 Cb -0.13 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 2rto s LYS 132 CO 0.03 0.38 0.00 1.55 -0.36 0.00 0.00 175.35 176.95 2rto n VAL 133 N 0.70 1.14 -4.20 4.02 3.14 -0.06 -4.96 118.33 118.10 2rto n VAL 133 Ca -0.02 0.38 -0.24 0.00 -2.96 0.00 0.00 64.34 61.50 2rto n VAL 133 Cb 0.51 -1.53 -0.06 0.00 -1.06 0.00 0.00 33.84 31.70 2rto n VAL 133 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2rto s LYS 134 N -1.94 2.55 0.00 1.45 1.02 -1.16 -4.96 119.74 116.70 2rto s LYS 134 Ca 0.00 -1.19 0.28 0.00 0.02 0.00 0.00 55.97 55.08 2rto s LYS 134 Cb 0.00 -2.37 1.67 0.00 -0.52 0.00 0.00 37.83 36.61 2rto s LYS 134 CO 0.00 0.41 2.01 -0.35 -0.92 0.00 0.00 175.35 176.50