#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1s n TYR 2 N 0.00 -1.62 0.17 2.98 9.36 -1.26 -4.94 117.16 121.85 2k1s n TYR 2 Ca 0.00 0.18 0.04 0.00 3.32 0.00 0.00 57.90 61.44 2k1s n TYR 2 Cb 0.00 0.67 0.21 0.00 -0.63 0.00 0.00 39.34 39.59 2k1s n TYR 2 CO 0.00 0.00 0.00 1.98 0.22 0.00 0.00 176.86 179.06 2k1s h MET 3 N 0.00 0.00 -0.62 2.98 4.05 -2.00 -3.01 114.93 116.33 2k1s h MET 3 Ca 0.00 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 2k1s h MET 3 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2k1s h MET 3 CO 0.00 0.45 0.04 0.38 0.23 0.00 0.00 176.91 178.01 2k1s h ASP 4 N 0.00 1.03 1.00 1.39 2.03 -1.92 -2.72 116.42 117.24 2k1s h ASP 4 Ca -0.00 -0.29 -0.06 0.00 -0.73 0.00 0.00 57.03 55.95 2k1s h ASP 4 Cb 1.11 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 2k1s h ASP 4 CO 0.06 1.06 -0.27 1.62 -1.03 0.00 0.00 179.24 180.68 2k1s h VAL 5 N 0.97 0.62 -0.73 4.15 3.04 -1.90 -2.17 116.25 120.23 2k1s h VAL 5 Ca 0.18 -1.29 -0.02 0.00 -1.01 0.00 0.00 66.70 64.57 2k1s h VAL 5 Cb 0.51 1.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.62 2k1s h VAL 5 CO 0.02 0.26 0.39 1.56 -1.01 0.00 0.00 177.57 178.80 2k1s h GLN 6 N 0.00 1.02 -0.60 4.17 4.20 -1.36 -1.54 115.11 121.00 2k1s h GLN 6 Ca -0.00 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.59 2k1s h GLN 6 Cb 0.84 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 2k1s h GLN 6 CO 0.03 0.76 0.39 1.49 -0.67 0.00 0.00 178.83 180.84 2k1s h GLU 7 N 1.00 0.78 -0.89 1.46 4.81 -1.14 -1.33 114.58 119.27 2k1s h GLU 7 Ca 0.25 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2k1s h GLU 7 Cb 0.05 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 2k1s h GLU 7 CO -0.04 0.51 0.57 0.00 -0.73 0.00 0.00 179.01 179.33 2k1s h ALA 8 N 1.22 1.17 -0.75 2.92 0.00 -1.07 0.29 119.26 123.05 2k1s h ALA 8 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2k1s h ALA 8 Cb -0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 2k1s h ALA 8 CO -0.05 0.43 0.31 0.87 0.00 0.00 0.00 179.25 180.81 2k1s h LYS 9 N 1.12 1.11 0.00 0.00 1.79 -0.79 -2.39 116.57 117.42 2k1s h LYS 9 Ca 0.35 -0.20 -0.12 0.00 -2.18 0.00 0.00 60.65 58.50 2k1s h LYS 9 Cb -0.00 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 2k1s h LYS 9 CO -0.12 0.90 -0.59 -0.07 -1.08 0.00 0.00 179.45 178.50 2k1s h LEU 10 N 1.08 0.00 -1.12 2.94 3.38 -0.30 -2.28 115.31 119.01 2k1s h LEU 10 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 2k1s h LEU 10 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2k1s h LEU 10 CO -0.02 0.59 -0.20 0.03 0.09 0.00 0.00 178.44 178.92 2k1s h ARG 11 N 0.00 0.37 0.01 1.13 2.47 -0.18 0.32 114.38 118.50 2k1s h ARG 11 Ca -0.01 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2k1s h ARG 11 Cb 1.19 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2k1s h ARG 11 CO 0.08 0.56 -0.01 0.22 0.56 0.00 0.00 179.97 181.38 2k1s h ASP 12 N 0.34 -0.01 0.02 7.04 3.58 -1.07 -3.11 116.42 123.21 2k1s h ASP 12 Ca 0.06 -0.47 -0.00 0.00 0.42 0.00 0.00 57.03 57.04 2k1s h ASP 12 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2k1s h ASP 12 CO 0.04 0.46 -0.01 0.11 -2.88 0.00 0.00 179.24 176.96 2k1s h LYS 13 N -0.49 -0.03 -1.65 0.28 1.57 -1.35 -3.36 116.57 111.54 2k1s h LYS 13 Ca -0.00 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.07 2k1s h LYS 13 Cb 0.48 0.01 -0.30 0.00 0.08 0.00 0.00 32.23 32.49 2k1s h LYS 13 CO 0.00 0.69 0.68 -1.33 -0.57 0.00 0.00 179.45 178.92 2k1s n MET 14 N -4.73 2.88 -0.04 3.15 2.81 0.11 -4.60 117.12 116.70 2k1s n MET 14 Ca -0.09 -3.64 -0.12 0.00 -1.81 0.00 0.00 57.70 52.04 2k1s n MET 14 Cb 0.36 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 2k1s n MET 14 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2k1s h ARG 15 N 2.68 0.72 -0.17 0.03 2.43 -1.68 -3.39 114.38 115.00 2k1s h ARG 15 Ca 0.53 -0.46 -0.21 0.00 -0.81 0.00 0.00 59.98 59.03 2k1s h ARG 15 Cb 0.40 0.06 -0.23 0.00 -0.42 0.00 0.00 29.97 29.78 2k1s h ARG 15 CO 1.36 1.09 -0.55 0.41 -1.51 0.00 0.00 179.97 180.77 2k1s n GLY 16 N 0.33 1.86 0.10 2.80 0.00 -1.26 -4.92 105.19 104.10 2k1s n GLY 16 Ca -0.04 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.62 2k1s n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k1s n THR 17 N -1.11 0.68 0.00 2.61 -2.24 -1.26 -4.96 114.28 108.00 2k1s n THR 17 Ca -0.08 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2k1s n THR 17 Cb 0.85 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2k1s n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1s n GLY 18 N 1.24 0.80 3.61 3.38 0.00 -1.26 -5.06 105.19 107.90 2k1s n GLY 18 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2k1s n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 19 N -1.26 3.49 -0.44 1.61 1.01 -1.26 -4.69 120.40 118.86 2k1s s VAL 19 Ca 0.00 0.51 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 2k1s s VAL 19 Cb 0.00 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.78 2k1s s VAL 19 CO 0.00 -0.37 1.00 -0.44 0.00 0.00 0.00 175.10 175.28 2k1s s SER 20 N 5.80 6.61 -0.66 3.32 0.01 -0.05 -4.82 113.70 123.90 2k1s s SER 20 Ca 0.79 0.39 -0.27 0.00 1.31 0.00 0.00 55.95 58.17 2k1s s SER 20 Cb -0.24 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.52 2k1s s SER 20 CO 0.33 -1.06 1.46 -0.69 0.41 0.00 0.00 173.24 173.69 2k1s s VAL 21 N 3.90 3.65 -0.44 3.43 1.01 -1.26 -0.18 120.40 130.50 2k1s s VAL 21 Ca 0.41 0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 2k1s s VAL 21 Cb -0.10 -4.55 0.06 0.00 0.00 0.00 0.00 36.38 31.80 2k1s s VAL 21 CO 0.26 -1.44 0.32 -0.89 0.00 0.00 0.00 175.10 173.35 2k1s s THR 22 N 6.65 4.86 -0.36 3.92 2.01 0.15 -4.96 115.64 127.90 2k1s s THR 22 Ca 0.48 -1.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 2k1s s THR 22 Cb -0.10 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.53 2k1s s THR 22 CO 0.19 -0.50 0.71 -0.60 -0.69 0.00 0.00 174.62 173.73 2k1s s ARG 23 N 1.57 3.72 -0.39 4.92 6.06 -1.26 0.10 118.95 133.67 2k1s s ARG 23 Ca 0.04 0.18 -0.00 0.00 -2.50 0.00 0.00 55.73 53.44 2k1s s ARG 23 Cb -0.23 -3.81 0.11 0.00 0.06 0.00 0.00 34.95 31.08 2k1s s ARG 23 CO 0.06 -0.79 0.16 -1.12 -2.50 0.00 0.00 175.30 171.10 2k1s s SER 24 N 1.81 5.07 1.68 -2.12 0.01 -0.41 -4.98 113.70 114.76 2k1s s SER 24 Ca 0.28 -2.12 0.00 0.00 1.31 0.00 0.00 55.95 55.42 2k1s s SER 24 Cb -0.14 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.34 2k1s s SER 24 CO 0.16 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2k1s n GLY 25 N 4.41 1.91 0.13 3.44 0.00 -1.26 -2.16 105.19 111.66 2k1s n GLY 25 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 2k1s n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k1s n ASP 26 N 10.87 2.01 -4.68 1.61 8.00 -1.26 -4.97 116.55 128.13 2k1s n ASP 26 Ca 0.00 0.12 -0.45 0.00 0.71 0.00 0.00 54.79 55.16 2k1s n ASP 26 Cb 0.00 -0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 40.37 2k1s n ASP 26 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k1s n ASN 27 N -3.62 3.28 -4.62 -2.24 4.13 -0.92 -4.89 115.26 106.38 2k1s n ASN 27 Ca -0.41 1.07 -0.38 0.00 1.68 0.00 0.00 54.58 56.54 2k1s n ASN 27 Cb 0.96 -1.45 -0.10 0.00 -1.54 0.00 0.00 39.78 37.65 2k1s n ASN 27 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k1s s ILE 28 N 1.10 5.26 -0.38 2.41 1.01 -1.25 -1.29 121.20 128.06 2k1s s ILE 28 Ca 0.79 0.37 -0.07 0.00 0.00 0.00 0.00 60.65 61.73 2k1s s ILE 28 Cb -0.64 -3.60 0.06 0.00 0.01 0.00 0.00 42.46 38.29 2k1s s ILE 28 CO 0.37 0.24 0.18 -0.63 0.00 0.00 0.00 174.94 175.10 2k1s s ILE 29 N 1.68 3.90 -0.62 2.92 1.01 0.12 -1.66 121.20 128.55 2k1s s ILE 29 Ca 0.11 -1.36 -0.26 0.00 0.00 0.00 0.00 60.65 59.14 2k1s s ILE 29 Cb -0.15 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.01 2k1s s ILE 29 CO 0.09 -0.38 1.12 -0.76 0.00 0.00 0.00 174.94 175.02 2k1s s LEU 30 N 1.38 3.65 -0.58 2.97 1.43 0.93 0.30 118.68 128.76 2k1s s LEU 30 Ca 0.01 -0.25 -0.25 0.00 -1.03 0.00 0.00 54.13 52.62 2k1s s LEU 30 Cb -0.21 -2.87 0.04 0.00 0.03 0.00 0.00 46.19 43.18 2k1s s LEU 30 CO 0.02 -1.49 1.02 0.21 0.23 0.00 0.00 176.35 176.33 2k1s s ASN 31 N 3.17 6.33 -0.28 2.29 3.84 0.74 -0.74 114.94 130.30 2k1s s ASN 31 Ca 0.36 -0.32 -0.14 0.00 0.21 0.00 0.00 52.86 52.97 2k1s s ASN 31 Cb -0.10 -2.47 -0.04 0.00 -0.55 0.00 0.00 41.25 38.10 2k1s s ASN 31 CO 0.20 -1.34 0.31 -0.32 -2.79 0.00 0.00 177.10 173.16 2k1s s MET 32 N 4.29 3.94 0.13 0.43 -2.45 0.14 -0.87 119.30 124.90 2k1s s MET 32 Ca 0.32 -0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 54.33 2k1s s MET 32 Cb -0.12 -3.68 -0.07 0.00 1.25 0.00 0.00 34.83 32.22 2k1s s MET 32 CO 0.19 -0.28 1.26 -2.14 1.05 0.00 0.00 175.02 175.11 2k1s s PRO 33 N 1.97 4.41 0.00 4.11 0.02 -1.26 -0.44 135.00 143.81 2k1s s PRO 33 Ca 0.12 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.08 2k1s s PRO 33 Cb -0.16 -3.27 0.14 0.00 0.02 0.00 0.00 34.50 31.22 2k1s s PRO 33 CO 0.10 -0.26 0.92 0.27 -0.33 0.00 0.00 177.00 177.70 2k1s n ASN 34 N 3.39 0.00 -0.09 2.53 6.94 -1.26 -3.17 115.26 123.59 2k1s n ASN 34 Ca 0.08 -1.57 -0.18 0.00 -0.02 0.00 0.00 54.58 52.89 2k1s n ASN 34 Cb 0.44 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.74 2k1s n ASN 34 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2k1s n ASN 35 N -0.54 1.83 0.01 0.53 5.15 -1.26 -3.59 115.26 117.39 2k1s n ASN 35 Ca 0.02 -0.03 -0.12 0.00 -0.60 0.00 0.00 54.58 53.84 2k1s n ASN 35 Cb 0.01 -0.39 -0.14 0.00 -0.53 0.00 0.00 39.78 38.73 2k1s n ASN 35 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 2k1s h VAL 36 N 0.02 0.95 0.00 3.44 -1.51 -1.97 -3.39 116.25 113.78 2k1s h VAL 36 Ca -0.53 -2.73 -0.39 0.00 -1.23 0.00 0.00 66.70 61.82 2k1s h VAL 36 Cb 1.96 2.54 -0.07 0.00 -2.13 0.00 0.00 31.29 33.59 2k1s h VAL 36 CO -0.04 0.67 -2.46 0.41 -1.23 0.00 0.00 177.57 174.92 2k1s n THR 37 N -3.23 1.47 -3.96 7.19 -1.04 -1.24 -3.33 114.28 110.15 2k1s n THR 37 Ca -0.18 -0.62 -0.24 0.00 -2.04 0.00 0.00 64.05 60.97 2k1s n THR 37 Cb 1.04 -1.26 -0.05 0.00 -1.82 0.00 0.00 70.33 68.25 2k1s n THR 37 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2k1s s PHE 38 N -2.51 2.36 -0.13 -1.42 0.08 -1.24 -1.89 117.98 113.23 2k1s s PHE 38 Ca -0.31 -0.64 -0.07 0.00 0.12 0.00 0.00 56.93 56.03 2k1s s PHE 38 Cb 0.08 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2k1s s PHE 38 CO 0.64 -0.05 0.13 0.34 -0.10 0.00 0.00 175.22 176.18 2k1s s ASP 39 N -4.05 6.32 0.02 1.36 2.15 -0.82 -4.07 116.67 117.58 2k1s s ASP 39 Ca 0.40 0.42 -0.04 0.00 0.43 0.00 0.00 52.55 53.75 2k1s s ASP 39 Cb 0.01 -2.06 -0.01 0.00 -0.30 0.00 0.00 42.92 40.56 2k1s s ASP 39 CO 0.23 0.37 0.99 -0.24 -0.17 0.00 0.00 175.17 176.35 2k1s n SER 40 N 2.24 -0.14 -0.00 -0.34 2.88 -1.25 -0.54 113.62 116.46 2k1s n SER 40 Ca -0.19 1.02 0.07 0.00 -1.33 0.00 0.00 58.87 58.44 2k1s n SER 40 Cb 0.54 -0.42 -0.08 0.00 -0.75 0.00 0.00 64.21 63.50 2k1s n SER 40 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2k1s n SER 41 N -3.24 0.79 0.07 -3.46 3.41 -1.26 -4.38 113.62 105.54 2k1s n SER 41 Ca 0.00 -0.72 -0.05 0.00 -0.26 0.00 0.00 58.87 57.84 2k1s n SER 41 Cb 0.03 1.08 -0.09 0.00 -0.26 0.00 0.00 64.21 64.97 2k1s n SER 41 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2k1s h SER 42 N 0.00 0.00 -1.23 4.04 0.87 -1.95 -3.47 113.55 111.81 2k1s h SER 42 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2k1s h SER 42 Cb 0.36 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.21 2k1s h SER 42 CO 0.00 0.88 -0.35 0.00 -0.53 0.00 0.00 176.83 176.83 2k1s n ALA 43 N -2.35 -0.32 -2.41 6.23 0.00 0.29 -4.92 120.51 117.04 2k1s n ALA 43 Ca -0.02 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 2k1s n ALA 43 Cb 0.91 -1.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 2k1s n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k1s s THR 44 N -2.70 4.66 -0.51 0.00 2.01 -1.26 -4.71 115.64 113.14 2k1s s THR 44 Ca 0.00 1.90 -0.28 0.00 0.31 0.00 0.00 61.69 63.62 2k1s s THR 44 Cb 0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2k1s s THR 44 CO 0.00 0.30 1.41 -0.76 -0.69 0.00 0.00 174.62 174.88 2k1s s LEU 45 N 0.20 3.47 0.42 4.42 1.43 -1.26 -1.94 118.68 125.41 2k1s s LEU 45 Ca 0.45 0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.84 2k1s s LEU 45 Cb -0.22 -3.23 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 2k1s s LEU 45 CO 0.27 -1.61 0.89 -1.59 0.23 0.00 0.00 176.35 174.54 2k1s s LYS 46 N 5.30 4.08 0.24 1.70 -2.85 -0.79 -4.79 119.74 122.63 2k1s s LYS 46 Ca 0.55 0.93 -0.14 0.00 -1.00 0.00 0.00 55.97 56.31 2k1s s LYS 46 Cb -0.11 -2.24 0.31 0.00 -2.06 0.00 0.00 37.83 33.72 2k1s s LYS 46 CO 0.28 -0.04 1.57 -1.35 0.10 0.00 0.00 175.35 175.91 2k1s h PRO 47 N 1.71 -0.02 -0.39 1.78 0.11 -1.93 0.17 132.00 133.43 2k1s h PRO 47 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2k1s h PRO 47 Cb 1.18 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2k1s h PRO 47 CO 0.62 -0.02 0.23 0.00 -0.21 0.00 0.00 178.00 178.63 2k1s h ALA 48 N 1.61 0.49 -0.32 -0.75 0.00 -1.93 -0.76 119.26 117.59 2k1s h ALA 48 Ca 0.38 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 2k1s h ALA 48 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k1s h ALA 48 CO -0.91 -0.10 -0.35 0.78 0.00 0.00 0.00 179.25 178.67 2k1s h GLY 49 N 0.47 0.79 1.01 0.00 0.00 -1.11 -0.83 103.07 103.40 2k1s h GLY 49 Ca 0.15 -0.76 0.01 0.00 0.00 0.00 0.00 47.33 46.72 2k1s h GLY 49 CO -0.06 0.69 0.42 0.00 0.00 0.00 0.00 176.54 177.59 2k1s h ALA 50 N 1.00 0.81 0.00 3.60 0.00 -0.34 0.75 119.26 125.08 2k1s h ALA 50 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2k1s h ALA 50 Cb 0.89 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2k1s h ALA 50 CO 0.08 0.24 -0.52 -0.91 0.00 0.00 0.00 179.25 178.14 2k1s h ASN 51 N 0.87 0.00 -0.28 0.00 -0.26 -0.99 -1.16 115.58 113.75 2k1s h ASN 51 Ca 0.23 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.95 2k1s h ASN 51 Cb -0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 2k1s h ASN 51 CO -0.05 0.52 0.08 0.74 -1.06 0.00 0.00 177.43 177.67 2k1s h THR 52 N 0.00 1.20 -0.27 2.81 2.02 -0.39 -2.26 112.91 116.02 2k1s h THR 52 Ca -0.01 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 2k1s h THR 52 Cb 1.01 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 2k1s h THR 52 CO 0.07 0.21 -0.01 -0.07 0.37 0.00 0.00 175.52 176.09 2k1s h LEU 53 N 0.28 0.37 -0.75 2.58 3.38 -0.61 -2.07 115.31 118.49 2k1s h LEU 53 Ca 0.09 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2k1s h LEU 53 Cb 0.25 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2k1s h LEU 53 CO -0.00 0.45 0.48 0.74 0.09 0.00 0.00 178.44 180.19 2k1s h THR 54 N 0.39 1.11 -0.62 0.22 2.02 -0.90 0.17 112.91 115.31 2k1s h THR 54 Ca 0.09 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 2k1s h THR 54 Cb 0.28 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 2k1s h THR 54 CO 0.01 0.17 0.22 1.23 0.37 0.00 0.00 175.52 177.52 2k1s h GLY 55 N 0.93 1.01 0.94 2.16 0.00 -0.81 -1.41 103.07 105.90 2k1s h GLY 55 Ca 0.30 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2k1s h GLY 55 CO -0.11 0.54 0.16 -2.08 0.00 0.00 0.00 176.54 175.05 2k1s h VAL 56 N 0.87 1.16 -0.54 4.60 2.07 -0.96 -2.57 116.25 120.87 2k1s h VAL 56 Ca 0.20 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2k1s h VAL 56 Cb 0.25 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2k1s h VAL 56 CO -0.01 0.16 0.34 0.00 0.02 0.00 0.00 177.57 178.08 2k1s h ALA 57 N 1.01 1.57 -0.46 1.67 0.00 -0.44 -0.21 119.26 122.39 2k1s h ALA 57 Ca 0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2k1s h ALA 57 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2k1s h ALA 57 CO -0.01 0.38 -0.20 0.52 0.00 0.00 0.00 179.25 179.94 2k1s h MET 58 N 0.74 0.94 -0.54 0.00 2.86 -1.03 0.04 114.93 117.94 2k1s h MET 58 Ca 0.20 -0.39 -0.12 0.00 -2.06 0.00 0.00 59.70 57.33 2k1s h MET 58 Cb -0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 2k1s h MET 58 CO -0.04 1.05 -0.12 0.28 1.06 0.00 0.00 176.91 179.14 2k1s h VAL 59 N 0.81 1.27 0.00 -2.22 2.07 -0.96 -1.25 116.25 115.98 2k1s h VAL 59 Ca 0.11 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2k1s h VAL 59 Cb 0.76 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2k1s h VAL 59 CO 0.06 0.45 -0.01 -0.07 0.02 0.00 0.00 177.57 178.02 2k1s h LEU 60 N 0.92 0.00 0.00 2.57 3.38 -0.86 -2.31 115.31 119.00 2k1s h LEU 60 Ca 0.14 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2k1s h LEU 60 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2k1s h LEU 60 CO 0.05 0.01 -1.05 0.50 0.09 0.00 0.00 178.44 178.05 2k1s h LYS 61 N 0.00 0.00 -0.64 1.13 3.64 -0.47 -3.05 116.57 117.18 2k1s h LYS 61 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2k1s h LYS 61 Cb 0.50 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2k1s h LYS 61 CO 0.00 0.35 0.38 0.93 -2.27 0.00 0.00 179.45 178.84 2k1s h GLU 62 N 0.00 0.87 -2.85 1.90 5.08 -0.66 -3.34 114.58 115.57 2k1s h GLU 62 Ca -0.09 -0.08 -0.61 0.00 -1.00 0.00 0.00 59.36 57.57 2k1s h GLU 62 Cb 1.47 -0.18 -0.40 0.00 0.50 0.00 0.00 28.75 30.14 2k1s h GLU 62 CO 0.05 0.63 -0.74 0.71 -1.00 0.00 0.00 179.01 178.66 2k1s s TYR 63 N -5.95 2.36 -0.42 4.33 2.02 -1.17 -4.97 117.35 113.55 2k1s s TYR 63 Ca -0.13 -2.77 0.00 0.00 -0.37 0.00 0.00 57.07 53.80 2k1s s TYR 63 Cb 0.13 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 2k1s s TYR 63 CO 0.77 -0.70 0.75 -0.35 -1.57 0.00 0.00 175.55 174.45 2k1s n PRO 64 N 2.72 0.95 -0.46 -1.71 -0.04 -1.15 -3.58 135.00 131.73 2k1s n PRO 64 Ca 0.19 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 2k1s n PRO 64 Cb 0.39 -1.21 0.30 0.00 -0.04 0.00 0.00 33.50 32.93 2k1s n PRO 64 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k1s n LYS 65 N 0.31 3.30 -5.20 0.54 4.76 -1.26 -4.90 118.16 115.72 2k1s n LYS 65 Ca 0.00 -2.67 -0.32 0.00 -2.87 0.00 0.00 58.31 52.45 2k1s n LYS 65 Cb 0.38 -1.70 -0.16 0.00 -1.84 0.00 0.00 35.03 31.70 2k1s n LYS 65 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k1s s THR 66 N -1.64 2.20 -0.03 -0.18 -4.23 -1.24 -1.54 115.64 108.98 2k1s s THR 66 Ca 0.44 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.64 2k1s s THR 66 Cb 0.27 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 2k1s s THR 66 CO 0.22 0.57 1.13 0.00 -0.54 0.00 0.00 174.62 176.00 2k1s s ALA 67 N -0.09 3.41 -0.68 3.99 0.00 0.24 -4.81 121.76 123.81 2k1s s ALA 67 Ca -0.05 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 2k1s s ALA 67 Cb -0.14 -3.46 0.12 0.00 0.00 0.00 0.00 23.12 19.64 2k1s s ALA 67 CO 0.04 -0.59 0.81 0.08 0.00 0.00 0.00 175.76 176.11 2k1s s VAL 68 N 1.77 4.85 -0.55 0.00 1.01 0.46 -0.69 120.40 127.25 2k1s s VAL 68 Ca 0.54 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 2k1s s VAL 68 Cb -0.24 -4.56 0.06 0.00 0.00 0.00 0.00 36.38 31.64 2k1s s VAL 68 CO 0.23 -1.22 0.79 0.20 0.00 0.00 0.00 175.10 175.10 2k1s s ASN 69 N 3.47 6.25 -0.71 3.32 0.01 -0.21 -0.32 114.94 126.76 2k1s s ASN 69 Ca 0.17 -0.80 -0.20 0.00 -0.71 0.00 0.00 52.86 51.32 2k1s s ASN 69 Cb -0.19 -2.36 0.10 0.00 0.41 0.00 0.00 41.25 39.22 2k1s s ASN 69 CO 0.02 -1.10 0.92 -0.69 -1.51 0.00 0.00 177.10 174.73 2k1s s VAL 70 N 3.27 4.60 -0.43 1.60 1.01 0.10 -0.15 120.40 130.41 2k1s s VAL 70 Ca 0.21 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 2k1s s VAL 70 Cb -0.17 -4.64 0.02 0.00 0.00 0.00 0.00 36.38 31.59 2k1s s VAL 70 CO 0.13 -1.36 0.57 -0.63 0.00 0.00 0.00 175.10 173.81 2k1s s ILE 71 N 3.22 4.92 -0.15 2.22 1.01 0.14 -0.51 121.20 132.05 2k1s s ILE 71 Ca 0.21 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 2k1s s ILE 71 Cb -0.16 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2k1s s ILE 71 CO 0.04 -0.54 0.56 -0.83 0.00 0.00 0.00 174.94 174.17 2k1s s GLY 72 N 1.94 2.25 0.34 6.18 0.00 0.78 -0.41 107.32 118.39 2k1s s GLY 72 Ca 0.19 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.71 2k1s s GLY 72 CO 0.17 1.06 0.24 -1.72 0.00 0.00 0.00 173.10 172.84 2k1s n TYR 73 N 4.36 -0.83 -3.60 1.90 4.01 -0.11 -0.45 117.16 122.44 2k1s n TYR 73 Ca -0.04 -1.44 0.01 0.00 -0.16 0.00 0.00 57.90 56.27 2k1s n TYR 73 Cb 0.51 -0.27 -0.01 0.00 -0.31 0.00 0.00 39.34 39.26 2k1s n TYR 73 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2k1s s THR 74 N -1.70 0.00 0.79 -0.72 -1.32 -1.04 -4.17 115.64 107.47 2k1s s THR 74 Ca 0.18 -0.13 -0.10 0.00 -1.21 0.00 0.00 61.69 60.43 2k1s s THR 74 Cb -0.01 -1.84 0.17 0.00 -1.51 0.00 0.00 72.50 69.31 2k1s s THR 74 CO 0.11 0.00 1.08 -0.90 -2.21 0.00 0.00 174.62 172.70 2k1s n ASP 75 N -0.43 0.45 -4.06 8.08 5.75 -1.26 -4.16 116.55 120.92 2k1s n ASP 75 Ca -0.07 -1.61 -0.42 0.00 -0.01 0.00 0.00 54.79 52.67 2k1s n ASP 75 Cb 0.62 -0.79 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 2k1s n ASP 75 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2k1s n SER 76 N -3.48 4.31 -4.54 -1.12 7.64 -1.26 -4.84 113.62 110.33 2k1s n SER 76 Ca 0.15 -2.88 -0.42 0.00 1.01 0.00 0.00 58.87 56.73 2k1s n SER 76 Cb 0.51 -1.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.00 2k1s n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k1s s THR 77 N 3.53 4.18 0.00 0.44 2.01 -1.26 -4.89 115.64 119.65 2k1s s THR 77 Ca 0.49 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2k1s s THR 77 Cb 0.10 -5.02 0.00 0.00 0.01 0.00 0.00 72.50 67.58 2k1s s THR 77 CO -0.02 -1.86 0.00 0.61 -0.69 0.00 0.00 174.62 172.66 2k1s n GLY 78 N 6.17 1.20 3.32 4.40 0.00 -1.26 -3.30 105.19 115.72 2k1s n GLY 78 Ca 0.35 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 2k1s n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1s n GLY 79 N 0.00 -1.38 0.12 -0.02 0.00 -1.26 -4.88 105.19 97.77 2k1s n GLY 79 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 2k1s n GLY 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2k1s h HIS 80 N -1.63 -0.17 0.00 1.61 -0.00 -2.00 -2.63 115.15 110.33 2k1s h HIS 80 Ca -0.37 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.93 2k1s h HIS 80 Cb 1.02 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.48 2k1s h HIS 80 CO 0.00 0.28 -0.30 0.38 -0.00 0.00 0.00 177.93 178.29 2k1s h ASP 81 N -0.87 0.00 0.80 2.45 3.04 -1.96 -2.25 116.42 117.63 2k1s h ASP 81 Ca -0.02 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.73 2k1s h ASP 81 Cb 0.53 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.83 2k1s h ASP 81 CO 0.03 0.30 -0.38 -0.07 -2.04 0.00 0.00 179.24 177.08 2k1s h LEU 82 N 0.00 -0.91 -1.25 0.15 -0.00 -1.85 0.04 115.31 111.49 2k1s h LEU 82 Ca -0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 57.82 2k1s h LEU 82 Cb 0.63 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.52 2k1s h LEU 82 CO 0.04 -0.62 -0.37 -0.55 -0.00 0.00 0.00 178.44 176.94 2k1s h ASN 83 N -1.13 0.00 -0.67 -0.43 7.08 -1.41 -1.50 115.58 117.52 2k1s h ASN 83 Ca -0.11 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.05 2k1s h ASN 83 Cb 0.83 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.04 2k1s h ASN 83 CO 0.18 0.37 0.18 0.24 -2.08 0.00 0.00 177.43 176.32 2k1s h MET 84 N 0.00 1.06 -0.05 4.14 2.86 -1.35 0.95 114.93 122.54 2k1s h MET 84 Ca -0.00 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2k1s h MET 84 Cb 0.67 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2k1s h MET 84 CO 0.05 0.94 0.03 -0.09 1.06 0.00 0.00 176.91 178.89 2k1s h ARG 85 N 0.99 0.08 -0.73 1.72 9.65 -0.09 -0.83 114.38 125.17 2k1s h ARG 85 Ca 0.21 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.08 2k1s h ARG 85 Cb 0.35 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 2k1s h ARG 85 CO -0.00 0.18 0.44 -0.07 2.80 0.00 0.00 179.97 183.32 2k1s h LEU 86 N -0.04 0.87 0.57 3.80 -0.00 -1.19 0.12 115.31 119.44 2k1s h LEU 86 Ca 0.02 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2k1s h LEU 86 Cb 0.13 -0.22 0.01 0.00 -0.00 0.00 0.00 40.66 40.58 2k1s h LEU 86 CO -0.00 0.66 -0.28 -1.28 -0.00 0.00 0.00 178.44 177.55 2k1s h SER 87 N 1.00 -0.65 -0.36 -0.43 0.87 -0.40 0.05 113.55 113.63 2k1s h SER 87 Ca 0.26 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 2k1s h SER 87 Cb -0.04 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2k1s h SER 87 CO -0.05 -0.46 -0.02 -0.61 -0.53 0.00 0.00 176.83 175.16 2k1s h GLN 88 N -0.78 0.74 -0.66 2.24 5.75 -0.96 -2.40 115.11 119.04 2k1s h GLN 88 Ca -0.08 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.18 2k1s h GLN 88 Cb 0.59 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 2k1s h GLN 88 CO 0.13 0.77 0.25 0.37 -2.65 0.00 0.00 178.83 177.70 2k1s h GLN 89 N 0.69 1.00 -0.69 1.69 5.75 -0.60 0.18 115.11 123.13 2k1s h GLN 89 Ca 0.13 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2k1s h GLN 89 Cb 0.46 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2k1s h GLN 89 CO 0.02 0.84 0.35 0.00 -2.65 0.00 0.00 178.83 177.40 2k1s h ARG 90 N 0.94 0.98 -0.37 1.69 3.08 -0.72 0.14 114.38 120.13 2k1s h ARG 90 Ca 0.22 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2k1s h ARG 90 Cb 0.23 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2k1s h ARG 90 CO -0.02 0.76 0.11 0.00 -1.07 0.00 0.00 179.97 179.76 2k1s h ALA 91 N 1.17 0.48 -0.94 0.04 0.00 -0.93 -1.91 119.26 117.17 2k1s h ALA 91 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k1s h ALA 91 Cb 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2k1s h ALA 91 CO -0.03 0.12 0.60 0.22 0.00 0.00 0.00 179.25 180.16 2k1s h ASP 92 N 0.44 1.10 -0.69 0.00 3.58 -0.35 -0.11 116.42 120.38 2k1s h ASP 92 Ca 0.12 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2k1s h ASP 92 Cb 0.25 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2k1s h ASP 92 CO -0.00 0.81 0.30 0.28 -2.88 0.00 0.00 179.24 177.75 2k1s h SER 93 N 1.28 0.94 -0.10 2.28 0.02 -0.70 0.22 113.55 117.49 2k1s h SER 93 Ca 0.34 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2k1s h SER 93 Cb -0.11 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 2k1s h SER 93 CO -0.07 0.84 0.04 0.58 -1.14 0.00 0.00 176.83 177.08 2k1s h VAL 94 N 0.98 1.14 -0.35 2.27 2.07 -0.76 -2.36 116.25 119.24 2k1s h VAL 94 Ca 0.23 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.35 2k1s h VAL 94 Cb 0.17 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2k1s h VAL 94 CO -0.02 0.13 0.15 0.00 0.02 0.00 0.00 177.57 177.85 2k1s h ALA 95 N 0.88 0.42 -0.74 1.67 0.00 -0.70 -1.30 119.26 119.49 2k1s h ALA 95 Ca 0.03 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2k1s h ALA 95 Cb 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2k1s h ALA 95 CO -0.00 -0.23 0.41 1.03 0.00 0.00 0.00 179.25 180.46 2k1s h SER 96 N 0.32 0.60 0.19 0.00 0.87 -0.50 0.15 113.55 115.18 2k1s h SER 96 Ca 0.15 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2k1s h SER 96 Cb 0.09 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2k1s h SER 96 CO -0.12 0.37 -0.09 0.00 -0.53 0.00 0.00 176.83 176.45 2k1s h ALA 97 N 1.40 -0.26 -0.05 6.23 0.00 -0.86 -0.23 119.26 125.49 2k1s h ALA 97 Ca 0.34 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2k1s h ALA 97 Cb 0.26 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2k1s h ALA 97 CO -0.21 -0.63 -0.18 -0.07 0.00 0.00 0.00 179.25 178.15 2k1s h LEU 98 N -0.28 -0.55 -0.62 0.00 3.38 -0.53 0.12 115.31 116.83 2k1s h LEU 98 Ca -0.03 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2k1s h LEU 98 Cb 0.22 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2k1s h LEU 98 CO 0.04 -0.24 0.33 0.40 0.09 0.00 0.00 178.44 179.06 2k1s h ILE 99 N -0.27 0.94 0.00 1.22 2.04 -0.64 -0.91 117.51 119.89 2k1s h ILE 99 Ca 0.07 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 2k1s h ILE 99 Cb 0.37 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2k1s h ILE 99 CO -0.21 0.11 -0.42 0.74 0.00 0.00 0.00 178.15 178.37 2k1s h THR 100 N 0.61 1.06 -0.01 -0.27 2.02 -0.52 -2.94 112.91 112.85 2k1s h THR 100 Ca 0.28 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2k1s h THR 100 Cb 0.19 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2k1s h THR 100 CO -0.19 0.42 0.00 0.00 0.37 0.00 0.00 175.52 176.12 2k1s n GLN 101 N -3.68 1.41 0.00 6.66 3.00 0.36 -4.86 117.38 120.28 2k1s n GLN 101 Ca -0.01 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 2k1s n GLN 101 Cb 0.51 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.27 2k1s n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k1s n GLY 102 N 1.10 1.06 3.74 1.08 0.00 -1.03 -4.83 105.19 106.31 2k1s n GLY 102 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2k1s n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 103 N -1.43 4.71 0.29 1.61 1.01 -0.43 -4.98 120.40 121.18 2k1s s VAL 103 Ca 0.00 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 63.42 2k1s s VAL 103 Cb 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 2k1s s VAL 103 CO 0.00 0.33 1.38 -0.62 0.00 0.00 0.00 175.10 176.20 2k1s s ASP 104 N 0.08 6.69 0.49 3.32 -1.08 -1.26 -3.80 116.67 121.12 2k1s s ASP 104 Ca 0.41 2.69 0.29 0.00 -0.52 0.00 0.00 52.55 55.41 2k1s s ASP 104 Cb -0.21 -2.64 0.94 0.00 -1.46 0.00 0.00 42.92 39.56 2k1s s ASP 104 CO 0.24 -0.64 1.83 0.00 0.52 0.00 0.00 175.17 177.12 2k1s h ALA 105 N 4.26 0.99 -1.00 3.66 0.00 -1.95 -3.31 119.26 121.92 2k1s h ALA 105 Ca -0.47 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2k1s h ALA 105 Cb 1.22 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2k1s h ALA 105 CO 0.72 0.05 0.66 0.66 0.00 0.00 0.00 179.25 181.34 2k1s h SER 106 N 0.00 1.13 -0.53 0.00 4.64 -2.04 -2.54 113.55 114.21 2k1s h SER 106 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2k1s h SER 106 Cb 0.73 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2k1s h SER 106 CO 0.01 0.81 0.00 -2.11 -0.87 0.00 0.00 176.83 174.66 2k1s n ARG 107 N -4.40 4.29 -3.63 4.77 0.00 -1.24 -4.79 116.66 111.65 2k1s n ARG 107 Ca 0.12 -3.04 -0.40 0.00 -0.00 0.00 0.00 57.85 54.54 2k1s n ARG 107 Cb 0.03 -2.10 -0.11 0.00 -0.00 0.00 0.00 32.46 30.28 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2k1s s ILE 108 N -2.56 4.22 -0.20 8.89 1.01 -0.96 -0.40 121.20 131.19 2k1s s ILE 108 Ca 0.51 -1.21 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 2k1s s ILE 108 Cb 0.38 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2k1s s ILE 108 CO 0.16 -0.37 0.01 -0.60 0.00 0.00 0.00 174.94 174.14 2k1s s ARG 109 N 1.45 3.66 -0.20 2.79 3.52 0.57 -4.97 118.95 125.77 2k1s s ARG 109 Ca 0.02 -0.50 -0.06 0.00 -0.13 0.00 0.00 55.73 55.06 2k1s s ARG 109 Cb -0.21 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 2k1s s ARG 109 CO 0.03 0.05 0.02 0.95 -0.81 0.00 0.00 175.30 175.55 2k1s s THR 110 N 0.91 4.17 -0.23 4.11 -4.23 -1.26 0.01 115.64 119.12 2k1s s THR 110 Ca 0.01 -0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 2k1s s THR 110 Cb -0.14 -2.90 0.07 0.00 1.34 0.00 0.00 72.50 70.87 2k1s s THR 110 CO 0.02 0.42 0.01 -1.58 -0.54 0.00 0.00 174.62 172.95 2k1s s GLN 111 N 0.98 1.08 -0.23 3.99 0.74 0.33 -4.95 119.66 121.60 2k1s s GLN 111 Ca 0.02 -0.80 -0.22 0.00 0.05 0.00 0.00 55.36 54.41 2k1s s GLN 111 Cb -0.14 -2.32 -0.02 0.00 1.10 0.00 0.00 33.01 31.63 2k1s s GLN 111 CO 0.02 -0.69 0.70 0.20 -0.55 0.00 0.00 175.29 174.97 2k1s s GLY 112 N 1.60 1.87 -0.02 2.59 0.00 -1.26 -0.15 107.32 111.95 2k1s s GLY 112 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.43 2k1s s GLY 112 CO -0.10 1.53 -0.01 1.04 0.00 0.00 0.00 173.10 175.56 2k1s n LEU 113 N 5.60 1.79 0.00 0.66 4.77 0.40 -4.86 117.00 125.35 2k1s n LEU 113 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k1s n LEU 113 Cb 0.49 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2k1s n LEU 113 CO 0.45 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2k1s n GLY 114 N 3.19 1.50 0.10 -0.72 0.00 0.09 -1.65 105.19 107.71 2k1s n GLY 114 Ca -0.03 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.29 2k1s n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k1s n PRO 115 N 0.38 1.14 -2.63 1.61 -0.04 -1.26 -3.00 135.00 131.20 2k1s n PRO 115 Ca 0.00 -0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 62.83 2k1s n PRO 115 Cb 0.00 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 2k1s n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1s s ALA 116 N -2.00 3.56 -0.45 0.55 0.00 -0.66 -4.11 121.76 118.66 2k1s s ALA 116 Ca 0.45 0.32 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 2k1s s ALA 116 Cb 0.21 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.83 2k1s s ALA 116 CO 0.35 -0.87 0.51 -1.71 0.00 0.00 0.00 175.76 174.05 2k1s n ASN 117 N 5.75 -6.71 -4.75 0.00 5.15 -1.26 -4.88 115.26 108.57 2k1s n ASN 117 Ca 0.11 0.23 -0.41 0.00 -0.60 0.00 0.00 54.58 53.91 2k1s n ASN 117 Cb 0.47 -4.49 -0.05 0.00 -0.53 0.00 0.00 39.78 35.19 2k1s n ASN 117 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2k1s s PRO 118 N -2.58 4.69 0.38 1.20 0.02 -1.26 -4.95 135.00 132.50 2k1s s PRO 118 Ca 0.12 1.67 0.21 0.00 0.02 0.00 0.00 61.00 63.01 2k1s s PRO 118 Cb -0.03 -3.26 0.48 0.00 0.02 0.00 0.00 34.50 31.71 2k1s s PRO 118 CO 0.61 0.25 1.64 0.97 -0.33 0.00 0.00 177.00 180.13 2k1s h ILE 119 N 3.40 0.52 -4.73 2.83 2.10 -1.93 -3.47 117.51 116.24 2k1s h ILE 119 Ca -0.45 -1.49 -0.42 0.00 1.08 0.00 0.00 64.86 63.58 2k1s h ILE 119 Cb 1.21 2.06 -0.14 0.00 -1.09 0.00 0.00 36.82 38.87 2k1s h ILE 119 CO 0.69 0.27 -0.52 0.00 -1.08 0.00 0.00 178.15 177.50 2k1s s ALA 120 N -3.28 1.74 -0.67 0.18 0.00 -1.26 -5.06 121.76 113.40 2k1s s ALA 120 Ca 0.03 -1.95 -0.27 0.00 0.00 0.00 0.00 51.96 49.77 2k1s s ALA 120 Cb 0.08 1.43 0.00 0.00 0.00 0.00 0.00 23.12 24.63 2k1s s ALA 120 CO 0.68 -0.63 1.57 -1.54 0.00 0.00 0.00 175.76 175.84 2k1s s SER 121 N -3.33 5.73 0.00 0.00 1.04 -1.26 -4.83 113.70 111.05 2k1s s SER 121 Ca 0.40 -0.04 0.22 0.00 0.48 0.00 0.00 55.95 57.00 2k1s s SER 121 Cb 0.04 -2.54 1.19 0.00 0.10 0.00 0.00 66.02 64.80 2k1s s SER 121 CO 0.23 -2.10 1.70 -0.46 0.98 0.00 0.00 173.24 173.59 2k1s n ASN 122 N 11.03 0.00 -0.17 7.02 0.23 -1.26 -2.65 115.26 129.46 2k1s n ASN 122 Ca 0.12 -0.30 -0.08 0.00 -0.53 0.00 0.00 54.58 53.79 2k1s n ASN 122 Cb 0.50 -0.17 0.01 0.00 -2.08 0.00 0.00 39.78 38.05 2k1s n ASN 122 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2k1s h SER 123 N 0.00 0.61 -2.77 0.53 0.02 -1.93 -3.38 113.55 106.63 2k1s h SER 123 Ca 0.00 -0.08 -0.45 0.00 -0.84 0.00 0.00 61.79 60.43 2k1s h SER 123 Cb 0.12 -0.15 0.05 0.00 0.14 0.00 0.00 62.40 62.55 2k1s h SER 123 CO 0.00 0.51 -0.01 0.42 -1.14 0.00 0.00 176.83 176.60 2k1s s THR 124 N -5.92 3.09 0.49 -2.27 -4.23 -1.15 -4.97 115.64 100.68 2k1s s THR 124 Ca -0.13 -0.53 0.24 0.00 -1.18 0.00 0.00 61.69 60.09 2k1s s THR 124 Cb 0.12 -3.17 0.28 0.00 1.34 0.00 0.00 72.50 71.07 2k1s s THR 124 CO 0.75 -0.13 2.12 0.00 -0.54 0.00 0.00 174.62 176.82 2k1s h ALA 125 N 0.09 1.52 0.25 3.99 0.00 -1.87 -2.65 119.26 120.59 2k1s h ALA 125 Ca -0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2k1s h ALA 125 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k1s h ALA 125 CO 0.55 0.11 -0.12 0.93 0.00 0.00 0.00 179.25 180.72 2k1s h GLU 126 N 0.00 -0.33 -0.15 0.00 5.08 -1.93 -2.14 114.58 115.11 2k1s h GLU 126 Ca -0.00 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2k1s h GLU 126 Cb 0.20 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2k1s h GLU 126 CO 0.01 -0.16 -0.33 0.78 -1.00 0.00 0.00 179.01 178.32 2k1s h GLY 127 N -0.42 0.33 0.99 -3.84 0.00 -1.24 0.02 103.07 98.91 2k1s h GLY 127 Ca -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2k1s h GLY 127 CO 0.06 0.26 0.30 0.50 0.00 0.00 0.00 176.54 177.65 2k1s h LYS 128 N 0.27 0.85 0.00 4.80 1.57 -1.40 0.79 116.57 123.44 2k1s h LYS 128 Ca 0.03 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2k1s h LYS 128 Cb 0.71 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2k1s h LYS 128 CO 0.05 0.68 -0.07 0.00 -0.57 0.00 0.00 179.45 179.54 2k1s n ALA 129 N -2.33 2.44 -0.05 3.86 0.00 -0.81 -3.61 120.51 120.01 2k1s n ALA 129 Ca 0.04 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 2k1s n ALA 129 Cb 0.11 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.99 2k1s n ALA 129 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2k1s n GLN 130 N -1.74 0.69 0.02 0.00 -0.06 -0.05 -4.35 117.38 111.91 2k1s n GLN 130 Ca 0.06 0.21 0.13 0.00 -2.00 0.00 0.00 57.00 55.40 2k1s n GLN 130 Cb 0.37 -1.67 0.50 0.00 -4.06 0.00 0.00 30.24 25.39 2k1s n GLN 130 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2k1s n ASN 131 N -3.20 0.26 -4.57 1.69 5.15 0.22 -4.53 115.26 110.28 2k1s n ASN 131 Ca -0.31 0.39 -0.36 0.00 -0.60 0.00 0.00 54.58 53.71 2k1s n ASN 131 Cb 1.06 -0.42 -0.03 0.00 -0.53 0.00 0.00 39.78 39.85 2k1s n ASN 131 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k1s s ARG 132 N -3.03 3.22 0.25 1.20 1.70 -1.24 -2.51 118.95 118.54 2k1s s ARG 132 Ca 0.13 -1.04 -0.18 0.00 -0.47 0.00 0.00 55.73 54.16 2k1s s ARG 132 Cb 0.17 -5.29 0.02 0.00 -0.57 0.00 0.00 34.95 29.28 2k1s s ARG 132 CO 0.58 -2.78 0.61 -0.98 -1.08 0.00 0.00 175.30 171.65 2k1s s ARG 133 N 5.62 1.61 -0.18 3.89 1.70 -1.26 -4.22 118.95 126.11 2k1s s ARG 133 Ca 0.57 -0.99 0.01 0.00 -0.47 0.00 0.00 55.73 54.85 2k1s s ARG 133 Cb -0.01 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.96 2k1s s ARG 133 CO -0.01 -0.71 -0.13 0.08 -1.08 0.00 0.00 175.30 173.45 2k1s s VAL 134 N -3.92 1.65 -0.44 4.99 1.01 0.42 -0.93 120.40 123.19 2k1s s VAL 134 Ca 0.13 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 2k1s s VAL 134 Cb -0.03 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.75 2k1s s VAL 134 CO 0.04 0.31 0.35 -1.61 0.00 0.00 0.00 175.10 174.20 2k1s s GLU 135 N 1.42 2.99 -0.65 2.72 2.02 0.45 0.28 118.70 127.93 2k1s s GLU 135 Ca 0.02 -1.12 -0.23 0.00 0.02 0.00 0.00 54.97 53.65 2k1s s GLU 135 Cb -0.15 -4.04 0.06 0.00 0.10 0.00 0.00 34.13 30.11 2k1s s GLU 135 CO -0.10 -0.87 0.98 0.42 0.02 0.00 0.00 175.26 175.71 2k1s s ILE 136 N 1.72 4.29 -0.33 -1.63 1.01 0.08 -0.68 121.20 125.66 2k1s s ILE 136 Ca 0.05 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 2k1s s ILE 136 Cb -0.21 -4.68 0.02 0.00 0.01 0.00 0.00 42.46 37.60 2k1s s ILE 136 CO 0.09 -1.43 0.14 -0.89 0.00 0.00 0.00 174.94 172.85 2k1s s THR 137 N 4.16 4.24 0.18 2.92 2.01 0.79 -0.05 115.64 129.89 2k1s s THR 137 Ca 0.24 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 2k1s s THR 137 Cb -0.16 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 2k1s s THR 137 CO 0.12 -0.08 0.66 -1.48 -0.69 0.00 0.00 174.62 173.14 2k1s s LEU 138 N 1.52 4.37 0.06 4.42 0.05 -0.67 -1.04 118.68 127.40 2k1s s LEU 138 Ca 0.02 1.31 0.03 0.00 0.05 0.00 0.00 54.13 55.53 2k1s s LEU 138 Cb -0.18 -3.40 -0.03 0.00 -2.05 0.00 0.00 46.19 40.53 2k1s s LEU 138 CO 0.05 0.09 -0.08 -0.44 -0.55 0.00 0.00 176.35 175.41 2k1s s SER 139 N -1.59 1.07 0.15 1.48 0.01 0.14 -3.84 113.70 111.13 2k1s s SER 139 Ca 0.39 -0.68 -0.31 0.00 1.31 0.00 0.00 55.95 56.66 2k1s s SER 139 Cb -0.17 0.04 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 2k1s s SER 139 CO 0.20 -0.25 1.38 -2.84 0.41 0.00 0.00 173.24 172.14 2k1s s PRO 140 N -2.20 4.33 -0.88 12.44 0.02 -1.26 0.79 135.00 148.24 2k1s s PRO 140 Ca -0.03 2.09 -0.22 0.00 0.02 0.00 0.00 61.00 62.87 2k1s s PRO 140 Cb -0.06 -3.22 0.08 0.00 0.02 0.00 0.00 34.50 31.32 2k1s s PRO 140 CO -0.00 -0.39 1.21 -0.51 -0.33 0.00 0.00 177.00 176.98 2k1s s LEU 141 N 0.65 4.23 -0.06 -5.54 1.43 -0.59 -4.67 118.68 114.13 2k1s s LEU 141 Ca 0.62 -1.48 0.13 0.00 -1.03 0.00 0.00 54.13 52.37 2k1s s LEU 141 Cb -0.37 -2.47 -0.19 0.00 0.03 0.00 0.00 46.19 43.18 2k1s s LEU 141 CO 0.33 -1.36 0.20 0.18 0.23 0.00 0.00 176.35 175.93 2k1s n LEU 142 N 7.81 0.00 0.25 1.79 4.77 -1.26 -4.64 117.00 125.73 2k1s n LEU 142 Ca 0.19 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 2k1s n LEU 142 Cb 0.49 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 2k1s n LEU 142 CO 0.60 0.12 0.60 -0.08 -1.33 0.00 0.00 177.39 177.30 2k1s h GLU 143 N 0.00 -0.61 -5.00 3.23 4.81 -1.99 -3.39 114.58 111.63 2k1s h GLU 143 Ca -0.13 0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.46 2k1s h GLU 143 Cb 1.07 0.14 -0.18 0.00 0.63 0.00 0.00 28.75 30.41 2k1s h GLU 143 CO 0.01 -0.33 0.06 -1.58 -0.73 0.00 0.00 179.01 176.43 2k1s s HIS 144 N -5.39 3.05 0.00 0.92 2.46 -1.26 -4.76 115.29 110.31 2k1s s HIS 144 Ca -0.15 -0.49 0.00 0.00 0.47 0.00 0.00 55.06 54.88 2k1s s HIS 144 Cb 0.03 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 28.96 2k1s s HIS 144 CO 0.57 -1.02 0.00 -2.39 -2.47 0.00 0.00 174.74 169.43 2k1s n HIS 145 N 6.18 0.00 -1.63 3.88 1.44 -1.26 -4.95 115.22 118.89 2k1s n HIS 145 Ca -0.06 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.25 2k1s n HIS 145 Cb 0.46 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.55 2k1s n HIS 145 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k1s n HIS 146 N -0.25 2.77 0.00 -1.40 8.25 -1.25 -4.85 115.22 118.48 2k1s n HIS 146 Ca 0.00 -2.99 0.00 0.00 -0.26 0.00 0.00 57.72 54.47 2k1s n HIS 146 Cb 0.00 -2.35 0.00 0.00 1.12 0.00 0.00 29.99 28.76 2k1s n HIS 146 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k1s n HIS 147 N 3.90 0.00 -3.65 4.41 -0.00 -1.26 -2.42 115.22 116.20 2k1s n HIS 147 Ca 0.66 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 58.10 2k1s n HIS 147 Cb 0.28 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.17 2k1s n HIS 147 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k1s n HIS 148 N 0.00 1.39 -1.02 4.41 -0.00 -1.26 -4.71 115.22 114.03 2k1s n HIS 148 Ca 0.00 -3.86 0.00 0.00 -0.00 0.00 0.00 57.72 53.86 2k1s n HIS 148 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 29.75 2k1s n HIS 148 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92