#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 -1.53 0.21 2.98 9.36 -1.26 -4.87 117.16 122.05 2k1s n TYR 2 Ca 0.00 0.29 0.06 0.00 3.32 0.00 0.00 57.90 61.56 2k1s n TYR 2 Cb 0.00 0.82 0.47 0.00 -0.63 0.00 0.00 39.34 40.00 2k1s n TYR 2 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2k1s h MET 3 N 0.00 0.00 -0.08 2.98 2.86 -2.00 -3.14 114.93 115.56 2k1s h MET 3 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2k1s h MET 3 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 2k1s h MET 3 CO 0.00 0.28 -0.24 0.22 1.06 0.00 0.00 176.91 178.23 2k1s h ASP 4 N 0.00 -0.73 0.34 1.22 1.82 -1.98 0.26 116.42 117.34 2k1s h ASP 4 Ca -0.00 0.11 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 2k1s h ASP 4 Cb 0.55 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 40.86 2k1s h ASP 4 CO 0.04 -0.30 -0.46 1.62 -1.61 0.00 0.00 179.24 178.52 2k1s h VAL 5 N -0.33 1.33 -0.33 2.25 3.04 -1.90 -0.98 116.25 119.34 2k1s h VAL 5 Ca 0.08 -1.64 -0.16 0.00 -1.01 0.00 0.00 66.70 63.98 2k1s h VAL 5 Cb 0.46 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 2k1s h VAL 5 CO -0.27 0.48 -0.42 -0.61 -1.01 0.00 0.00 177.57 175.75 2k1s h GLN 6 N 0.13 0.82 -0.46 4.17 4.15 -1.47 -2.62 115.11 119.82 2k1s h GLN 6 Ca 0.01 -0.44 -0.00 0.00 0.77 0.00 0.00 58.65 58.98 2k1s h GLN 6 Cb 0.87 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 2k1s h GLN 6 CO 0.07 1.08 0.29 1.49 -1.93 0.00 0.00 178.83 179.82 2k1s h GLU 7 N 0.66 0.62 -0.77 1.69 4.81 -0.01 -2.38 114.58 119.21 2k1s h GLU 7 Ca 0.05 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2k1s h GLU 7 Cb 0.99 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 2k1s h GLU 7 CO 0.09 0.44 0.43 0.00 -0.73 0.00 0.00 179.01 179.25 2k1s h ALA 8 N 1.14 1.07 0.21 2.92 0.00 -1.02 0.52 119.26 124.10 2k1s h ALA 8 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2k1s h ALA 8 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2k1s h ALA 8 CO -0.03 0.08 -0.10 0.87 0.00 0.00 0.00 179.25 180.07 2k1s h LYS 9 N 0.75 -0.27 -0.33 0.00 1.57 -1.17 -2.26 116.57 114.86 2k1s h LYS 9 Ca 0.36 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 59.00 2k1s h LYS 9 Cb 0.30 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2k1s h LYS 9 CO -0.23 -0.16 -0.44 -0.07 -0.57 0.00 0.00 179.45 177.98 2k1s h LEU 10 N -0.29 0.93 -1.66 2.94 3.38 -0.91 -0.93 115.31 118.77 2k1s h LEU 10 Ca -0.03 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2k1s h LEU 10 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k1s h LEU 10 CO 0.05 1.23 -0.18 -0.09 0.09 0.00 0.00 178.44 179.53 2k1s h ARG 11 N 0.69 0.00 0.05 1.13 2.43 0.05 0.21 114.38 118.94 2k1s h ARG 11 Ca 0.04 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.90 2k1s h ARG 11 Cb 1.03 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 2k1s h ARG 11 CO 0.10 0.18 -1.79 0.22 -1.51 0.00 0.00 179.97 177.18 2k1s h ASP 12 N 0.00 0.18 0.95 -3.80 3.58 -1.26 -3.26 116.42 112.81 2k1s h ASP 12 Ca -0.00 -0.38 -0.15 0.00 0.42 0.00 0.00 57.03 56.92 2k1s h ASP 12 Cb 0.34 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2k1s h ASP 12 CO 0.02 1.34 -1.12 0.50 -2.88 0.00 0.00 179.24 177.10 2k1s h LYS 13 N 0.03 0.00 -0.38 0.28 3.64 -0.84 -3.27 116.57 116.03 2k1s h LYS 13 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2k1s h LYS 13 Cb 2.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 2k1s h LYS 13 CO 0.09 0.40 0.00 -1.33 -2.27 0.00 0.00 179.45 176.34 2k1s n MET 14 N -3.02 3.66 -0.17 1.90 2.81 0.70 -4.66 117.12 118.35 2k1s n MET 14 Ca -0.06 -2.95 -0.04 0.00 -1.81 0.00 0.00 57.70 52.84 2k1s n MET 14 Cb 0.82 -1.99 0.06 0.00 -0.71 0.00 0.00 33.22 31.40 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 2.65 0.45 -0.04 0.03 2.43 -1.61 -3.15 114.38 115.14 2k1s h ARG 15 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2k1s h ARG 15 Cb 1.63 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2k1s h ARG 15 CO 0.32 0.30 -0.02 0.41 -1.51 0.00 0.00 179.97 179.46 2k1s n GLY 16 N -1.25 4.77 0.10 2.80 0.00 -1.26 -4.56 105.19 105.80 2k1s n GLY 16 Ca 0.05 -1.13 0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.28 0.58 0.00 2.61 -2.24 -1.19 -4.95 114.28 107.80 2k1s n THR 17 Ca 0.17 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2k1s n THR 17 Cb 0.69 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.20 0.53 3.63 3.38 0.00 -1.26 -4.91 105.19 107.76 2k1s n GLY 18 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 4.10 -0.83 1.61 1.01 -1.26 -4.61 120.40 118.41 2k1s s VAL 19 Ca 0.00 1.24 -0.22 0.00 0.00 0.00 0.00 61.98 63.01 2k1s s VAL 19 Cb 0.00 -4.10 0.09 0.00 0.00 0.00 0.00 36.38 32.37 2k1s s VAL 19 CO 0.00 -0.44 1.14 -0.44 0.00 0.00 0.00 175.10 175.36 2k1s s SER 20 N 2.91 6.40 -0.45 3.32 0.01 0.38 -4.80 113.70 121.48 2k1s s SER 20 Ca 0.58 -1.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.13 2k1s s SER 20 Cb -0.18 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2k1s s SER 20 CO 0.23 -1.35 1.30 0.68 0.41 0.00 0.00 173.24 174.51 2k1s s VAL 21 N 3.87 4.02 0.11 3.43 -7.23 -1.26 -1.33 120.40 122.01 2k1s s VAL 21 Ca 0.32 1.03 0.07 0.00 -1.81 0.00 0.00 61.98 61.58 2k1s s VAL 21 Cb -0.08 -4.39 -0.04 0.00 0.56 0.00 0.00 36.38 32.42 2k1s s VAL 21 CO -0.00 -0.90 -0.07 -0.89 -0.31 0.00 0.00 175.10 172.93 2k1s s THR 22 N 5.06 3.55 -0.31 5.32 2.01 0.17 -4.95 115.64 126.49 2k1s s THR 22 Ca 0.55 -1.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 2k1s s THR 22 Cb -0.11 -2.68 0.04 0.00 0.01 0.00 0.00 72.50 69.76 2k1s s THR 22 CO 0.32 0.09 0.05 -0.60 -0.69 0.00 0.00 174.62 173.79 2k1s s ARG 23 N -2.31 2.67 -0.42 4.92 6.06 -1.26 -0.03 118.95 128.57 2k1s s ARG 23 Ca 0.23 -1.13 0.03 0.00 -2.50 0.00 0.00 55.73 52.36 2k1s s ARG 23 Cb -0.11 -3.31 0.12 0.00 0.06 0.00 0.00 34.95 31.71 2k1s s ARG 23 CO 0.15 -0.58 0.18 0.45 -2.50 0.00 0.00 175.30 173.00 2k1s s SER 24 N 1.37 4.22 1.53 -2.12 0.15 -0.91 -5.00 113.70 112.94 2k1s s SER 24 Ca -0.02 -2.50 0.00 0.00 0.70 0.00 0.00 55.95 54.13 2k1s s SER 24 Cb -0.19 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2k1s s SER 24 CO 0.01 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2k1s n GLY 25 N 3.76 3.35 0.30 9.45 0.00 -1.26 -1.79 105.19 119.00 2k1s n GLY 25 Ca 0.05 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 8.91 1.35 -4.79 1.61 9.92 -1.26 -4.91 116.55 127.38 2k1s n ASP 26 Ca 0.00 -1.07 -0.36 0.00 -0.53 0.00 0.00 54.79 52.83 2k1s n ASP 26 Cb 0.00 0.33 -0.07 0.00 -0.64 0.00 0.00 41.12 40.74 2k1s n ASP 26 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2k1s s ASN 27 N -2.57 6.12 -0.26 -2.24 0.01 -0.74 -4.43 114.94 110.83 2k1s s ASN 27 Ca 0.20 0.33 -0.18 0.00 -0.71 0.00 0.00 52.86 52.50 2k1s s ASN 27 Cb 0.18 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 2k1s s ASN 27 CO 0.58 0.32 0.52 -0.63 -1.51 0.00 0.00 177.10 176.38 2k1s s ILE 28 N -0.49 5.07 -0.48 0.60 1.01 -0.67 -2.15 121.20 124.08 2k1s s ILE 28 Ca 0.12 0.88 -0.17 0.00 0.00 0.00 0.00 60.65 61.48 2k1s s ILE 28 Cb -0.12 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.59 2k1s s ILE 28 CO 0.02 0.08 0.47 -0.63 0.00 0.00 0.00 174.94 174.88 2k1s s ILE 29 N 2.32 5.11 -0.91 2.92 -1.09 0.95 -0.77 121.20 129.74 2k1s s ILE 29 Ca 0.21 -0.86 -0.18 0.00 -2.23 0.00 0.00 60.65 57.60 2k1s s ILE 29 Cb -0.16 -4.18 0.15 0.00 -1.58 0.00 0.00 42.46 36.69 2k1s s ILE 29 CO 0.09 -0.65 1.05 -0.76 -1.23 0.00 0.00 174.94 173.44 2k1s s LEU 30 N 1.98 5.44 -0.68 2.97 1.02 0.34 0.44 118.68 130.19 2k1s s LEU 30 Ca 0.08 -2.20 -0.26 0.00 0.02 0.00 0.00 54.13 51.77 2k1s s LEU 30 Cb -0.22 -2.36 0.04 0.00 0.02 0.00 0.00 46.19 43.67 2k1s s LEU 30 CO 0.08 -0.95 1.17 0.21 0.02 0.00 0.00 176.35 176.89 2k1s s ASN 31 N 3.29 6.22 -0.46 2.29 3.84 -0.44 -0.82 114.94 128.86 2k1s s ASN 31 Ca 0.29 -0.47 -0.10 0.00 0.21 0.00 0.00 52.86 52.80 2k1s s ASN 31 Cb -0.06 -2.52 0.11 0.00 -0.55 0.00 0.00 41.25 38.23 2k1s s ASN 31 CO -0.09 -1.65 0.34 -0.04 -2.79 0.00 0.00 177.10 172.86 2k1s s MET 32 N 5.11 2.53 0.45 0.43 -1.94 -0.29 -0.47 119.30 125.12 2k1s s MET 32 Ca 0.33 -1.70 -0.25 0.00 -1.71 0.00 0.00 55.69 52.36 2k1s s MET 32 Cb -0.10 -3.92 -0.08 0.00 2.01 0.00 0.00 34.83 32.75 2k1s s MET 32 CO 0.16 -1.15 1.33 -2.14 -0.01 0.00 0.00 175.02 173.21 2k1s s PRO 33 N 1.39 3.70 0.42 2.03 0.02 -1.26 0.42 135.00 141.72 2k1s s PRO 33 Ca 0.05 2.20 0.14 0.00 0.02 0.00 0.00 61.00 63.41 2k1s s PRO 33 Cb -0.26 -2.59 1.01 0.00 0.02 0.00 0.00 34.50 32.68 2k1s s PRO 33 CO 0.00 -0.73 1.96 -0.97 -0.33 0.00 0.00 177.00 176.93 2k1s h ASN 34 N 2.26 0.41 -0.76 2.53 -1.24 -1.04 -1.46 115.58 116.27 2k1s h ASN 34 Ca -0.50 0.01 0.08 0.00 0.71 0.00 0.00 56.30 56.60 2k1s h ASN 34 Cb 1.26 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 40.18 2k1s h ASN 34 CO 0.61 0.24 0.44 0.78 -1.29 0.00 0.00 177.43 178.20 2k1s h ASN 35 N 0.45 0.64 0.12 1.15 2.35 -1.82 -0.46 115.58 118.00 2k1s h ASN 35 Ca 0.31 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2k1s h ASN 35 Cb 0.61 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2k1s h ASN 35 CO -0.09 0.39 -1.64 1.33 -1.65 0.00 0.00 177.43 175.77 2k1s n VAL 36 N -4.75 0.07 -0.10 2.81 0.24 -0.85 -4.51 118.33 111.23 2k1s n VAL 36 Ca 0.11 -0.38 -0.21 0.00 -2.04 0.00 0.00 64.34 61.82 2k1s n VAL 36 Cb 0.22 0.18 -0.11 0.00 -1.47 0.00 0.00 33.84 32.66 2k1s n VAL 36 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2k1s h THR 37 N 0.00 0.90 -3.09 3.34 2.02 -1.07 -3.37 112.91 111.64 2k1s h THR 37 Ca 0.00 -2.15 -0.63 0.00 0.77 0.00 0.00 66.41 64.41 2k1s h THR 37 Cb 0.88 2.17 -0.08 0.00 -1.74 0.00 0.00 68.15 69.38 2k1s h THR 37 CO 0.00 0.31 -0.59 -0.36 0.37 0.00 0.00 175.52 175.24 2k1s s PHE 38 N -2.35 3.19 0.00 3.16 0.08 -0.20 -3.33 117.98 118.52 2k1s s PHE 38 Ca -0.28 0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.83 2k1s s PHE 38 Cb 0.06 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 2k1s s PHE 38 CO 0.58 0.52 0.56 -3.47 -0.10 0.00 0.00 175.22 173.31 2k1s n ASP 39 N 0.31 0.00 -0.04 1.36 2.03 0.10 -4.64 116.55 115.67 2k1s n ASP 39 Ca -0.08 0.61 -0.03 0.00 0.52 0.00 0.00 54.79 55.80 2k1s n ASP 39 Cb 0.52 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.69 2k1s n ASP 39 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k1s n SER 40 N -1.15 0.86 0.00 1.67 7.64 -1.26 -5.01 113.62 116.36 2k1s n SER 40 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2k1s n SER 40 Cb 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2k1s n SER 40 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k1s n SER 41 N -3.36 0.00 -2.00 6.43 2.88 -1.26 -5.00 113.62 111.31 2k1s n SER 41 Ca -0.05 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.44 2k1s n SER 41 Cb 0.19 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.58 2k1s n SER 41 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k1s n SER 42 N 0.00 3.46 -1.84 -3.46 7.64 -1.26 -4.51 113.62 113.65 2k1s n SER 42 Ca 0.00 -2.07 -0.18 0.00 1.01 0.00 0.00 58.87 57.64 2k1s n SER 42 Cb 0.00 -0.87 -0.05 0.00 -1.01 0.00 0.00 64.21 62.28 2k1s n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1s n ALA 43 N 2.33 -0.42 -2.60 -0.43 0.00 -1.26 -4.90 120.51 113.24 2k1s n ALA 43 Ca 0.19 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 2k1s n ALA 43 Cb 0.51 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.63 4.20 -0.49 0.00 2.01 -1.26 -4.98 115.64 112.49 2k1s s THR 44 Ca 0.00 1.22 -0.27 0.00 0.31 0.00 0.00 61.69 62.95 2k1s s THR 44 Cb 0.00 -4.61 0.03 0.00 0.01 0.00 0.00 72.50 67.93 2k1s s THR 44 CO 0.00 -1.02 1.02 -0.76 -0.69 0.00 0.00 174.62 173.17 2k1s s LEU 45 N 4.47 3.84 0.50 4.42 1.43 -1.26 0.02 118.68 132.10 2k1s s LEU 45 Ca 0.48 0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 53.56 2k1s s LEU 45 Cb -0.07 -3.26 -0.08 0.00 0.03 0.00 0.00 46.19 42.81 2k1s s LEU 45 CO 0.32 -1.18 1.04 -1.59 0.23 0.00 0.00 176.35 175.16 2k1s s LYS 46 N 4.14 3.73 0.25 1.70 -2.85 -1.21 -4.73 119.74 120.76 2k1s s LYS 46 Ca 0.40 1.32 -0.10 0.00 -1.00 0.00 0.00 55.97 56.60 2k1s s LYS 46 Cb -0.09 -2.09 0.37 0.00 -2.06 0.00 0.00 37.83 33.96 2k1s s LYS 46 CO 0.27 -0.49 1.59 -1.00 0.10 0.00 0.00 175.35 175.83 2k1s h PRO 47 N 1.36 0.01 -0.52 1.78 0.13 -1.95 0.39 132.00 133.19 2k1s h PRO 47 Ca -0.49 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2k1s h PRO 47 Cb 1.22 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2k1s h PRO 47 CO 0.59 0.00 0.32 0.00 -0.23 0.00 0.00 178.00 178.68 2k1s h ALA 48 N 1.82 0.67 -0.29 -0.56 0.00 -1.92 0.19 119.26 119.16 2k1s h ALA 48 Ca 0.40 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 2k1s h ALA 48 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k1s h ALA 48 CO -0.84 0.05 -0.22 0.78 0.00 0.00 0.00 179.25 179.02 2k1s h GLY 49 N 0.65 0.72 0.98 0.00 0.00 -1.23 -0.99 103.07 103.20 2k1s h GLY 49 Ca 0.20 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2k1s h GLY 49 CO -0.08 0.63 0.26 0.00 0.00 0.00 0.00 176.54 177.36 2k1s h ALA 50 N 0.72 0.57 -0.23 3.60 0.00 -0.03 0.21 119.26 124.10 2k1s h ALA 50 Ca 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2k1s h ALA 50 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k1s h ALA 50 CO 0.06 0.08 -0.10 -0.91 0.00 0.00 0.00 179.25 178.37 2k1s h ASN 51 N 0.59 0.35 -0.02 0.00 4.21 -0.61 0.73 115.58 120.83 2k1s h ASN 51 Ca 0.16 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.59 2k1s h ASN 51 Cb 0.02 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.13 2k1s h ASN 51 CO -0.03 0.49 -0.00 0.74 -1.29 0.00 0.00 177.43 177.34 2k1s h THR 52 N 0.34 1.27 -0.83 2.81 2.02 -0.38 -0.60 112.91 117.53 2k1s h THR 52 Ca 0.07 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2k1s h THR 52 Cb 0.40 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 2k1s h THR 52 CO 0.02 0.21 0.55 -0.07 0.37 0.00 0.00 175.52 176.61 2k1s h LEU 53 N -0.28 0.96 -0.89 2.58 3.38 -0.25 0.15 115.31 120.95 2k1s h LEU 53 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2k1s h LEU 53 Cb 0.34 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2k1s h LEU 53 CO 0.00 0.69 0.47 0.74 0.09 0.00 0.00 178.44 180.44 2k1s h THR 54 N 1.13 1.26 -0.67 0.22 2.02 -0.83 0.06 112.91 116.10 2k1s h THR 54 Ca 0.31 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 2k1s h THR 54 Cb -0.13 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.32 2k1s h THR 54 CO -0.07 0.30 0.25 1.23 0.37 0.00 0.00 175.52 177.60 2k1s h GLY 55 N 1.25 1.09 1.00 2.16 0.00 0.12 -0.92 103.07 107.78 2k1s h GLY 55 Ca 0.31 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2k1s h GLY 55 CO -0.05 0.58 0.31 -2.08 0.00 0.00 0.00 176.54 175.30 2k1s h VAL 56 N 0.96 1.12 -0.48 4.60 2.07 -0.27 -2.08 116.25 122.18 2k1s h VAL 56 Ca 0.22 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2k1s h VAL 56 Cb 0.24 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2k1s h VAL 56 CO -0.01 0.12 0.26 0.00 0.02 0.00 0.00 177.57 177.96 2k1s h ALA 57 N 1.17 1.56 -0.21 1.67 0.00 -0.63 0.29 119.26 123.11 2k1s h ALA 57 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2k1s h ALA 57 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2k1s h ALA 57 CO -0.04 0.37 0.03 0.52 0.00 0.00 0.00 179.25 180.13 2k1s h MET 58 N 0.66 0.35 -0.16 0.00 2.86 -0.68 0.87 114.93 118.82 2k1s h MET 58 Ca 0.17 -0.10 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 2k1s h MET 58 Cb 0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2k1s h MET 58 CO -0.03 0.50 -0.46 0.28 1.06 0.00 0.00 176.91 178.26 2k1s h VAL 59 N 0.14 1.32 -0.06 -2.22 2.07 -0.92 -1.91 116.25 114.67 2k1s h VAL 59 Ca 0.06 -1.66 -0.09 0.00 0.82 0.00 0.00 66.70 65.84 2k1s h VAL 59 Cb 0.32 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2k1s h VAL 59 CO 0.00 0.51 -0.37 0.25 0.02 0.00 0.00 177.57 177.99 2k1s h LEU 60 N 0.33 0.11 -0.51 2.57 6.46 -0.30 -0.36 115.31 123.62 2k1s h LEU 60 Ca 0.02 -0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.60 2k1s h LEU 60 Cb 0.94 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 2k1s h LEU 60 CO 0.08 0.48 -0.65 0.50 -0.62 0.00 0.00 178.44 178.22 2k1s h LYS 61 N 0.10 0.00 -0.21 1.25 3.64 -0.46 -2.81 116.57 118.09 2k1s h LYS 61 Ca 0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 2k1s h LYS 61 Cb 0.70 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2k1s h LYS 61 CO 0.05 0.65 -0.68 0.93 -2.27 0.00 0.00 179.45 178.13 2k1s h GLU 62 N 0.00 0.83 -3.10 1.90 5.08 -0.70 -3.38 114.58 115.20 2k1s h GLU 62 Ca -0.01 -0.61 -0.62 0.00 -1.00 0.00 0.00 59.36 57.12 2k1s h GLU 62 Cb 1.27 0.11 -0.42 0.00 0.50 0.00 0.00 28.75 30.21 2k1s h GLU 62 CO 0.08 1.23 -0.56 0.71 -1.00 0.00 0.00 179.01 179.48 2k1s s TYR 63 N -3.90 3.58 -2.00 4.33 2.02 -0.21 -4.93 117.35 116.24 2k1s s TYR 63 Ca -0.11 -3.33 0.00 0.00 -0.37 0.00 0.00 57.07 53.27 2k1s s TYR 63 Cb 0.09 -2.73 0.03 0.00 -0.40 0.00 0.00 41.96 38.94 2k1s s TYR 63 CO 0.90 -0.56 0.94 -2.30 -1.57 0.00 0.00 175.55 172.96 2k1s n PRO 64 N 2.02 0.92 -0.88 -1.71 -0.02 -1.07 -3.44 135.00 130.82 2k1s n PRO 64 Ca 0.19 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 2k1s n PRO 64 Cb 0.35 -1.01 0.18 0.00 -0.02 0.00 0.00 33.50 33.00 2k1s n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k1s n LYS 65 N -0.51 2.46 -5.11 -0.52 4.76 -1.26 -4.88 118.16 113.10 2k1s n LYS 65 Ca 0.00 -2.33 -0.29 0.00 -2.87 0.00 0.00 58.31 52.82 2k1s n LYS 65 Cb 0.00 -1.95 -0.16 0.00 -1.84 0.00 0.00 35.03 31.08 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 -2.48 1.82 -0.06 -0.18 -4.23 -1.22 0.33 115.64 109.62 2k1s s THR 66 Ca 0.43 -0.94 -0.19 0.00 -1.18 0.00 0.00 61.69 59.81 2k1s s THR 66 Cb 0.36 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.60 2k1s s THR 66 CO 0.09 0.51 0.52 0.00 -0.54 0.00 0.00 174.62 175.21 2k1s s ALA 67 N -0.11 3.50 -0.82 3.99 0.00 0.23 -4.85 121.76 123.71 2k1s s ALA 67 Ca -0.03 -0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.66 2k1s s ALA 67 Cb -0.13 -2.67 0.16 0.00 0.00 0.00 0.00 23.12 20.48 2k1s s ALA 67 CO 0.03 0.10 0.90 0.08 0.00 0.00 0.00 175.76 176.88 2k1s s VAL 68 N 0.17 5.06 -0.81 0.00 1.01 0.16 -1.48 120.40 124.51 2k1s s VAL 68 Ca 0.28 -1.76 -0.20 0.00 0.00 0.00 0.00 61.98 60.31 2k1s s VAL 68 Cb -0.16 -4.60 0.12 0.00 0.00 0.00 0.00 36.38 31.73 2k1s s VAL 68 CO 0.13 -1.25 1.02 0.20 0.00 0.00 0.00 175.10 175.20 2k1s s ASN 69 N 3.10 6.46 -0.77 3.32 0.02 -0.04 0.07 114.94 127.11 2k1s s ASN 69 Ca 0.23 -1.72 -0.19 0.00 -1.02 0.00 0.00 52.86 50.15 2k1s s ASN 69 Cb -0.11 -2.38 0.12 0.00 0.02 0.00 0.00 41.25 38.89 2k1s s ASN 69 CO -0.06 -1.15 0.96 -0.69 0.02 0.00 0.00 177.10 176.18 2k1s s VAL 70 N 2.94 4.71 -0.36 1.60 1.01 0.80 0.33 120.40 131.44 2k1s s VAL 70 Ca 0.27 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 2k1s s VAL 70 Cb -0.11 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.62 2k1s s VAL 70 CO -0.02 -1.37 0.20 -0.63 0.00 0.00 0.00 175.10 173.27 2k1s s ILE 71 N 2.86 4.66 -0.17 2.22 1.01 -0.21 -0.21 121.20 131.36 2k1s s ILE 71 Ca 0.24 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 2k1s s ILE 71 Cb -0.13 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2k1s s ILE 71 CO -0.01 -0.14 0.23 -0.83 0.00 0.00 0.00 174.94 174.19 2k1s s GLY 72 N 1.59 2.15 0.26 6.18 0.00 0.17 -0.41 107.32 117.26 2k1s s GLY 72 Ca 0.03 -0.54 0.12 0.00 0.00 0.00 0.00 44.72 44.32 2k1s s GLY 72 CO 0.07 0.26 -0.19 -0.19 0.00 0.00 0.00 173.10 173.05 2k1s s TYR 73 N 0.27 2.33 -0.28 1.90 2.02 0.14 -1.92 117.35 121.82 2k1s s TYR 73 Ca 0.14 -0.33 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 2k1s s TYR 73 Cb -0.12 -1.05 0.19 0.00 -0.40 0.00 0.00 41.96 40.58 2k1s s TYR 73 CO 0.02 0.66 1.35 -0.08 -1.57 0.00 0.00 175.55 175.93 2k1s s THR 74 N -2.29 0.00 0.35 -0.71 -1.32 0.33 -0.67 115.64 111.33 2k1s s THR 74 Ca 0.28 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.50 2k1s s THR 74 Cb -0.06 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.84 2k1s s THR 74 CO 0.14 0.00 1.01 -0.62 -2.21 0.00 0.00 174.62 172.95 2k1s s ASP 75 N -1.05 7.06 -0.86 8.08 2.15 -1.26 -1.95 116.67 128.84 2k1s s ASP 75 Ca 0.09 1.99 -0.19 0.00 0.43 0.00 0.00 52.55 54.86 2k1s s ASP 75 Cb -0.01 -2.59 0.12 0.00 -0.30 0.00 0.00 42.92 40.14 2k1s s ASP 75 CO -0.07 -0.28 1.08 -0.44 -0.17 0.00 0.00 175.17 175.29 2k1s s SER 76 N -1.49 6.52 -0.60 -0.34 0.01 -1.26 -4.95 113.70 111.60 2k1s s SER 76 Ca 0.53 -1.81 -0.25 0.00 1.31 0.00 0.00 55.95 55.73 2k1s s SER 76 Cb -0.22 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.65 2k1s s SER 76 CO 0.28 -1.14 1.04 0.42 0.41 0.00 0.00 173.24 174.25 2k1s s THR 77 N 2.96 4.22 0.00 1.44 -4.23 -1.26 -4.67 115.64 114.10 2k1s s THR 77 Ca 0.30 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2k1s s THR 77 Cb -0.08 -4.65 0.00 0.00 1.34 0.00 0.00 72.50 69.11 2k1s s THR 77 CO -0.05 -1.30 0.00 0.61 -0.54 0.00 0.00 174.62 173.34 2k1s n GLY 78 N 5.17 1.02 3.79 3.99 0.00 -1.26 -4.90 105.19 113.00 2k1s n GLY 78 Ca 0.02 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 2k1s n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1s s GLY 79 N 0.00 2.03 0.09 -0.02 0.00 -1.26 -5.01 107.32 103.15 2k1s s GLY 79 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 44.72 43.80 2k1s s GLY 79 CO 0.00 -0.39 1.68 0.45 0.00 0.00 0.00 173.10 174.84 2k1s h HIS 80 N 5.25 0.16 -0.74 1.90 -0.00 -1.92 -2.34 115.15 117.46 2k1s h HIS 80 Ca -0.52 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 59.87 2k1s h HIS 80 Cb 1.21 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.53 2k1s h HIS 80 CO 0.69 0.19 0.48 -0.44 -0.00 0.00 0.00 177.93 178.85 2k1s h ASP 81 N 0.09 0.81 -0.40 2.45 5.19 -1.98 0.33 116.42 122.90 2k1s h ASP 81 Ca 0.04 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 2k1s h ASP 81 Cb 0.08 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 2k1s h ASP 81 CO -0.01 0.57 -0.01 -0.07 -3.12 0.00 0.00 179.24 176.60 2k1s h LEU 82 N 0.95 0.70 -0.89 1.55 4.07 -1.97 0.18 115.31 119.90 2k1s h LEU 82 Ca 0.28 -0.32 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 2k1s h LEU 82 Cb -0.05 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 2k1s h LEU 82 CO -0.08 0.84 -0.51 0.78 -1.08 0.00 0.00 178.44 178.39 2k1s h ASN 83 N 0.53 0.12 -0.15 -0.43 2.35 -1.03 0.26 115.58 117.23 2k1s h ASN 83 Ca 0.11 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2k1s h ASN 83 Cb 0.49 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2k1s h ASN 83 CO 0.02 0.61 0.05 -0.03 -1.65 0.00 0.00 177.43 176.44 2k1s h MET 84 N 0.09 0.22 -0.67 0.81 4.05 -0.01 0.15 114.93 119.58 2k1s h MET 84 Ca 0.00 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2k1s h MET 84 Cb 0.93 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.67 2k1s h MET 84 CO 0.07 0.33 0.24 0.00 0.23 0.00 0.00 176.91 177.78 2k1s h ARG 85 N 0.07 0.99 -0.44 0.39 3.08 -0.34 0.25 114.38 118.39 2k1s h ARG 85 Ca 0.05 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2k1s h ARG 85 Cb 0.20 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2k1s h ARG 85 CO -0.00 0.83 0.22 1.25 -1.07 0.00 0.00 179.97 181.20 2k1s h LEU 86 N 0.97 0.56 -0.72 3.04 5.85 -0.29 0.20 115.31 124.92 2k1s h LEU 86 Ca 0.22 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2k1s h LEU 86 Cb 0.23 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2k1s h LEU 86 CO -0.01 0.51 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.21 2k1s h SER 87 N 0.57 0.86 -0.25 1.25 0.87 -0.26 -0.02 113.55 116.57 2k1s h SER 87 Ca 0.15 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2k1s h SER 87 Cb 0.09 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2k1s h SER 87 CO -0.02 0.99 0.15 -0.61 -0.53 0.00 0.00 176.83 176.81 2k1s h GLN 88 N 0.78 0.34 -0.95 2.24 5.75 -0.16 -0.93 115.11 122.18 2k1s h GLN 88 Ca 0.13 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2k1s h GLN 88 Cb 0.62 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 2k1s h GLN 88 CO 0.04 0.26 0.58 0.37 -2.65 0.00 0.00 178.83 177.43 2k1s h GLN 89 N 0.32 1.28 0.17 1.69 4.15 -0.31 0.19 115.11 122.59 2k1s h GLN 89 Ca 0.09 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2k1s h GLN 89 Cb 0.01 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.40 2k1s h GLN 89 CO -0.02 0.89 -0.23 0.00 -1.93 0.00 0.00 178.83 177.54 2k1s h ARG 90 N 1.30 -0.44 -0.66 1.69 3.08 -0.63 0.27 114.38 118.99 2k1s h ARG 90 Ca 0.34 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 2k1s h ARG 90 Cb -0.07 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2k1s h ARG 90 CO -0.07 -0.29 0.23 0.00 -1.07 0.00 0.00 179.97 178.77 2k1s h ALA 91 N 0.28 0.87 -0.23 0.04 0.00 -0.78 -2.48 119.26 116.95 2k1s h ALA 91 Ca 0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2k1s h ALA 91 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k1s h ALA 91 CO -0.10 0.52 -0.38 0.22 0.00 0.00 0.00 179.25 179.52 2k1s h ASP 92 N 0.95 0.54 -0.33 0.00 3.58 -0.46 -2.30 116.42 118.41 2k1s h ASP 92 Ca 0.22 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2k1s h ASP 92 Cb 0.27 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2k1s h ASP 92 CO -0.01 0.87 0.09 -1.28 -2.88 0.00 0.00 179.24 176.03 2k1s h SER 93 N 0.43 0.56 -0.42 2.28 0.87 -0.19 0.96 113.55 118.04 2k1s h SER 93 Ca 0.04 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2k1s h SER 93 Cb 0.86 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 2k1s h SER 93 CO 0.07 0.56 0.10 0.58 -0.53 0.00 0.00 176.83 177.61 2k1s h VAL 94 N 0.59 1.23 -0.46 2.23 2.07 -1.07 -2.43 116.25 118.41 2k1s h VAL 94 Ca 0.14 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2k1s h VAL 94 Cb 0.24 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2k1s h VAL 94 CO -0.00 0.29 0.29 0.00 0.02 0.00 0.00 177.57 178.16 2k1s h ALA 95 N 0.95 0.58 -0.95 1.67 0.00 -0.76 -1.75 119.26 119.01 2k1s h ALA 95 Ca 0.13 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2k1s h ALA 95 Cb 0.33 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2k1s h ALA 95 CO 0.00 0.05 0.62 0.77 0.00 0.00 0.00 179.25 180.69 2k1s h SER 96 N 0.61 0.96 -0.29 0.00 0.02 -0.73 0.14 113.55 114.26 2k1s h SER 96 Ca 0.17 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2k1s h SER 96 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2k1s h SER 96 CO -0.03 0.61 0.04 0.00 -1.14 0.00 0.00 176.83 176.30 2k1s h ALA 97 N 1.49 0.38 -0.38 3.77 0.00 -0.93 -1.18 119.26 122.42 2k1s h ALA 97 Ca 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2k1s h ALA 97 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k1s h ALA 97 CO -0.16 0.08 0.18 -0.07 0.00 0.00 0.00 179.25 179.28 2k1s h LEU 98 N 0.30 0.50 -0.90 0.00 3.38 -0.54 -2.54 115.31 115.51 2k1s h LEU 98 Ca 0.09 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2k1s h LEU 98 Cb 0.35 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2k1s h LEU 98 CO 0.01 0.49 0.59 0.40 0.09 0.00 0.00 178.44 180.02 2k1s h ILE 99 N 0.48 1.17 -0.51 1.22 2.04 -0.67 -1.37 117.51 119.87 2k1s h ILE 99 Ca 0.13 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2k1s h ILE 99 Cb 0.13 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 2k1s h ILE 99 CO -0.02 0.21 0.34 0.74 0.00 0.00 0.00 178.15 179.42 2k1s h THR 100 N 1.16 1.10 0.00 -0.27 2.02 -0.84 -0.89 112.91 115.18 2k1s h THR 100 Ca 0.35 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2k1s h THR 100 Cb -0.03 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2k1s h THR 100 CO -0.11 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.90 2k1s n GLN 101 N -4.47 0.14 0.00 6.66 1.13 -0.61 -4.85 117.38 115.37 2k1s n GLN 101 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2k1s n GLN 101 Cb 0.09 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.94 2k1s n GLN 101 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k1s n GLY 102 N 1.41 1.17 3.72 1.08 0.00 -0.34 -5.04 105.19 107.19 2k1s n GLY 102 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 4.83 0.18 1.61 1.01 -0.65 -4.98 120.40 120.41 2k1s s VAL 103 Ca 0.00 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 2k1s s VAL 103 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 2k1s s VAL 103 CO 0.00 0.22 0.99 -1.81 0.00 0.00 0.00 175.10 174.49 2k1s s ASP 104 N 0.73 7.49 0.27 3.32 1.11 -1.26 -3.73 116.67 124.60 2k1s s ASP 104 Ca 0.48 1.94 0.23 0.00 0.18 0.00 0.00 52.55 55.38 2k1s s ASP 104 Cb -0.21 -2.60 1.01 0.00 1.07 0.00 0.00 42.92 42.19 2k1s s ASP 104 CO 0.26 -0.02 1.70 0.00 1.18 0.00 0.00 175.17 178.29 2k1s n ALA 105 N 2.14 1.55 0.34 5.23 0.00 -1.26 -2.28 120.51 126.24 2k1s n ALA 105 Ca 0.01 0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2k1s n ALA 105 Cb 0.48 -1.37 0.30 0.00 0.00 0.00 0.00 19.45 18.85 2k1s n ALA 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k1s n SER 106 N -2.24 0.17 -0.36 0.00 7.64 -1.26 -1.26 113.62 116.31 2k1s n SER 106 Ca 0.01 0.55 0.03 0.00 1.01 0.00 0.00 58.87 60.48 2k1s n SER 106 Cb 0.20 -0.58 0.09 0.00 -1.01 0.00 0.00 64.21 62.90 2k1s n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k1s n ARG 107 N -1.70 2.89 -4.95 1.43 1.74 -0.96 -5.01 116.66 110.10 2k1s n ARG 107 Ca 0.02 -1.85 -0.32 0.00 -0.77 0.00 0.00 57.85 54.92 2k1s n ARG 107 Cb 0.13 -1.18 -0.14 0.00 -1.02 0.00 0.00 32.46 30.25 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k1s s ILE 108 N -1.11 2.82 -0.17 0.55 1.01 -0.39 0.38 121.20 124.28 2k1s s ILE 108 Ca 0.14 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 2k1s s ILE 108 Cb 0.08 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.48 2k1s s ILE 108 CO 0.08 0.57 -0.04 -0.60 0.00 0.00 0.00 174.94 174.95 2k1s s ARG 109 N -0.27 1.33 -0.18 2.79 3.52 0.11 -4.94 118.95 121.30 2k1s s ARG 109 Ca 0.01 -0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 54.99 2k1s s ARG 109 Cb -0.13 -2.00 -0.05 0.00 -1.56 0.00 0.00 34.95 31.22 2k1s s ARG 109 CO 0.03 -0.45 0.23 0.95 -0.81 0.00 0.00 175.30 175.24 2k1s s THR 110 N 1.66 5.35 -0.25 4.11 -4.23 -1.26 -0.14 115.64 120.87 2k1s s THR 110 Ca 0.00 0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2k1s s THR 110 Cb -0.15 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 70.19 2k1s s THR 110 CO -0.08 0.40 0.01 -1.10 -0.54 0.00 0.00 174.62 173.31 2k1s s GLN 111 N 0.51 1.18 -1.19 3.99 -0.21 0.71 -4.97 119.66 119.68 2k1s s GLN 111 Ca 0.13 -0.95 -0.08 0.00 0.02 0.00 0.00 55.36 54.48 2k1s s GLN 111 Cb -0.12 -2.39 0.23 0.00 1.00 0.00 0.00 33.01 31.72 2k1s s GLN 111 CO 0.02 -0.72 1.64 0.41 -2.12 0.00 0.00 175.29 174.52 2k1s n GLY 112 N 4.77 4.75 0.07 3.09 0.00 -1.26 0.43 105.19 117.03 2k1s n GLY 112 Ca -0.08 -2.33 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 2k1s n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k1s h LEU 113 N 7.07 0.07 0.00 0.99 3.38 -1.72 -3.39 115.31 121.70 2k1s h LEU 113 Ca 0.30 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2k1s h LEU 113 Cb 0.66 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2k1s h LEU 113 CO 1.44 0.57 0.00 0.61 0.09 0.00 0.00 178.44 181.16 2k1s n GLY 114 N 0.31 1.27 0.78 0.83 0.00 -0.81 -4.32 105.19 103.25 2k1s n GLY 114 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 1.66 1.56 -2.69 1.61 -0.04 -0.82 -0.51 135.00 135.76 2k1s n PRO 115 Ca 0.00 -0.49 -0.40 0.00 -0.04 0.00 0.00 63.50 62.57 2k1s n PRO 115 Cb 0.00 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.18 3.35 -0.54 0.55 0.00 -1.26 -4.41 121.76 118.28 2k1s s ALA 116 Ca 0.09 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 2k1s s ALA 116 Cb 0.07 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.97 2k1s s ALA 116 CO 0.02 0.12 0.52 0.27 0.00 0.00 0.00 175.76 176.70 2k1s n ASN 117 N 1.50 -4.20 -4.73 0.00 6.94 -1.26 -4.87 115.26 108.64 2k1s n ASN 117 Ca -0.02 -0.50 -0.42 0.00 -0.02 0.00 0.00 54.58 53.63 2k1s n ASN 117 Cb 0.47 -1.31 -0.03 0.00 -2.36 0.00 0.00 39.78 36.55 2k1s n ASN 117 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 2k1s s PRO 118 N -3.32 4.35 0.35 -0.53 0.02 -1.26 -4.93 135.00 129.68 2k1s s PRO 118 Ca 0.15 2.09 0.17 0.00 0.02 0.00 0.00 61.00 63.43 2k1s s PRO 118 Cb -0.02 -3.21 0.57 0.00 0.02 0.00 0.00 34.50 31.87 2k1s s PRO 118 CO 0.73 -0.35 1.68 -0.84 -0.33 0.00 0.00 177.00 177.90 2k1s h ILE 119 N 3.93 0.94 -2.40 2.83 3.07 -1.90 -3.46 117.51 120.53 2k1s h ILE 119 Ca -0.44 -1.68 -0.53 0.00 1.55 0.00 0.00 64.86 63.76 2k1s h ILE 119 Cb 1.21 2.02 -0.13 0.00 -0.27 0.00 0.00 36.82 39.65 2k1s h ILE 119 CO 0.81 0.41 -0.57 0.00 -1.05 0.00 0.00 178.15 177.75 2k1s s ALA 120 N -3.52 2.79 0.38 0.16 0.00 -1.26 -5.11 121.76 115.19 2k1s s ALA 120 Ca 0.00 -1.66 -0.28 0.00 0.00 0.00 0.00 51.96 50.02 2k1s s ALA 120 Cb 0.11 0.57 -0.11 0.00 0.00 0.00 0.00 23.12 23.69 2k1s s ALA 120 CO 0.70 -0.27 1.48 0.45 0.00 0.00 0.00 175.76 178.12 2k1s s SER 121 N -3.58 6.32 0.00 0.00 0.15 -1.26 -4.86 113.70 110.47 2k1s s SER 121 Ca 0.29 3.04 0.28 0.00 0.70 0.00 0.00 55.95 60.26 2k1s s SER 121 Cb 0.06 -2.67 0.97 0.00 -1.71 0.00 0.00 66.02 62.68 2k1s s SER 121 CO 0.14 -0.89 1.74 -3.20 1.20 0.00 0.00 173.24 172.24 2k1s n ASN 122 N 0.43 0.19 0.04 5.45 2.85 -1.26 -3.44 115.26 119.52 2k1s n ASN 122 Ca 0.01 0.20 0.12 0.00 -0.11 0.00 0.00 54.58 54.80 2k1s n ASN 122 Cb 0.39 -0.22 0.27 0.00 1.24 0.00 0.00 39.78 41.47 2k1s n ASN 122 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2k1s n SER 123 N -1.49 0.59 -4.76 1.20 2.88 -1.26 -4.75 113.62 106.03 2k1s n SER 123 Ca 0.07 0.13 -0.31 0.00 -1.33 0.00 0.00 58.87 57.43 2k1s n SER 123 Cb 0.34 -0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.72 2k1s n SER 123 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2k1s s THR 124 N -3.10 4.47 0.20 2.46 -4.23 -1.22 -5.02 115.64 109.20 2k1s s THR 124 Ca 0.09 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 2k1s s THR 124 Cb 0.15 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.90 2k1s s THR 124 CO 0.68 0.15 1.63 0.00 -0.54 0.00 0.00 174.62 176.54 2k1s h ALA 125 N 3.41 0.84 -0.51 3.99 0.00 -1.89 -1.53 119.26 123.58 2k1s h ALA 125 Ca -0.47 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.02 2k1s h ALA 125 Cb 1.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2k1s h ALA 125 CO 0.65 0.65 -0.01 1.05 0.00 0.00 0.00 179.25 181.59 2k1s h GLU 126 N 0.84 0.86 -0.59 0.00 4.11 -1.95 0.76 114.58 118.61 2k1s h GLU 126 Ca 0.13 -0.25 -0.03 0.00 0.07 0.00 0.00 59.36 59.28 2k1s h GLU 126 Cb 0.65 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2k1s h GLU 126 CO 0.05 0.87 0.24 0.78 0.07 0.00 0.00 179.01 181.02 2k1s h GLY 127 N 0.99 0.94 0.94 1.06 0.00 -1.61 0.24 103.07 105.63 2k1s h GLY 127 Ca 0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2k1s h GLY 127 CO 0.02 0.48 -0.06 0.50 0.00 0.00 0.00 176.54 177.48 2k1s h LYS 128 N 0.81 -0.17 -0.49 4.80 1.57 -0.96 -2.03 116.57 120.10 2k1s h LYS 128 Ca 0.20 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2k1s h LYS 128 Cb 0.19 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2k1s h LYS 128 CO -0.02 -0.06 0.20 0.00 -0.57 0.00 0.00 179.45 179.00 2k1s h ALA 129 N 0.62 0.64 0.00 3.86 0.00 -0.63 -2.24 119.26 121.52 2k1s h ALA 129 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2k1s h ALA 129 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k1s h ALA 129 CO 0.03 0.24 -0.16 1.96 0.00 0.00 0.00 179.25 181.32 2k1s h GLN 130 N 0.65 0.00 0.00 0.00 4.20 -0.53 -1.97 115.11 117.47 2k1s h GLN 130 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2k1s h GLN 130 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2k1s h GLN 130 CO -0.01 0.16 -0.22 -0.97 -0.67 0.00 0.00 178.83 177.12 2k1s h ASN 131 N 0.00 0.00 -1.58 1.46 -1.24 -0.79 -3.41 115.58 110.02 2k1s h ASN 131 Ca -0.00 -0.05 -0.49 0.00 0.71 0.00 0.00 56.30 56.47 2k1s h ASN 131 Cb 0.51 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.49 2k1s h ASN 131 CO 0.02 0.02 1.17 -0.13 -1.29 0.00 0.00 177.43 177.23 2k1s s ARG 132 N -3.16 3.01 -0.06 6.67 0.52 -0.74 -2.49 118.95 122.69 2k1s s ARG 132 Ca 0.08 -0.27 -0.20 0.00 -0.52 0.00 0.00 55.73 54.82 2k1s s ARG 132 Cb 0.10 -4.73 0.04 0.00 0.52 0.00 0.00 34.95 30.89 2k1s s ARG 132 CO 0.66 -2.58 0.46 -0.98 0.02 0.00 0.00 175.30 172.88 2k1s s ARG 133 N 6.15 0.77 -0.39 3.54 1.70 0.15 -0.41 118.95 130.46 2k1s s ARG 133 Ca 0.53 0.12 -0.09 0.00 -0.47 0.00 0.00 55.73 55.83 2k1s s ARG 133 Cb -0.07 0.36 0.06 0.00 -0.57 0.00 0.00 34.95 34.73 2k1s s ARG 133 CO 0.07 -0.21 0.21 0.08 -1.08 0.00 0.00 175.30 174.37 2k1s s VAL 134 N -0.97 4.15 -0.48 4.99 1.01 0.17 0.27 120.40 129.53 2k1s s VAL 134 Ca -0.10 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 2k1s s VAL 134 Cb -0.03 -3.46 0.09 0.00 0.00 0.00 0.00 36.38 32.98 2k1s s VAL 134 CO 0.05 -0.38 0.40 -0.70 0.00 0.00 0.00 175.10 174.47 2k1s s GLU 135 N 1.43 2.90 -0.52 2.72 2.12 0.45 -1.14 118.70 126.66 2k1s s GLU 135 Ca 0.02 -1.47 -0.23 0.00 0.36 0.00 0.00 54.97 53.65 2k1s s GLU 135 Cb -0.21 -4.11 0.04 0.00 0.26 0.00 0.00 34.13 30.11 2k1s s GLU 135 CO 0.03 -1.09 0.86 0.42 -0.54 0.00 0.00 175.26 174.93 2k1s s ILE 136 N 1.58 4.52 -0.43 -3.70 1.01 -0.00 -1.05 121.20 123.14 2k1s s ILE 136 Ca 0.04 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 2k1s s ILE 136 Cb -0.25 -4.46 0.02 0.00 0.01 0.00 0.00 42.46 37.78 2k1s s ILE 136 CO 0.05 -0.99 0.57 -0.89 0.00 0.00 0.00 174.94 173.68 2k1s s THR 137 N 3.60 4.93 -0.53 2.92 2.01 0.15 -0.51 115.64 128.21 2k1s s THR 137 Ca 0.28 -0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 2k1s s THR 137 Cb -0.14 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.28 2k1s s THR 137 CO 0.19 -0.51 0.87 -0.76 -0.69 0.00 0.00 174.62 173.72 2k1s s LEU 138 N 2.56 4.27 -0.17 4.42 1.43 0.05 -0.86 118.68 130.38 2k1s s LEU 138 Ca 0.19 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2k1s s LEU 138 Cb -0.15 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2k1s s LEU 138 CO 0.17 -1.14 0.01 -0.55 0.23 0.00 0.00 176.35 175.06 2k1s s SER 139 N 2.76 5.10 0.14 2.29 0.15 -0.55 -1.67 113.70 121.93 2k1s s SER 139 Ca 0.28 -0.07 -0.33 0.00 0.70 0.00 0.00 55.95 56.53 2k1s s SER 139 Cb -0.14 -1.86 -0.13 0.00 -1.71 0.00 0.00 66.02 62.19 2k1s s SER 139 CO 0.18 0.15 1.69 -0.81 1.20 0.00 0.00 173.24 175.66 2k1s n PRO 140 N 3.66 2.44 -0.43 5.44 -0.04 -1.26 0.76 135.00 145.57 2k1s n PRO 140 Ca -0.17 0.88 0.02 0.00 -0.04 0.00 0.00 63.50 64.19 2k1s n PRO 140 Cb 0.52 -2.70 0.18 0.00 -0.04 0.00 0.00 33.50 31.46 2k1s n PRO 140 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k1s n LEU 141 N 4.26 3.33 -0.35 1.53 4.77 0.15 -4.27 117.00 126.43 2k1s n LEU 141 Ca 0.17 -1.69 0.07 0.00 -0.03 0.00 0.00 56.01 54.53 2k1s n LEU 141 Cb 0.32 -0.59 0.24 0.00 -2.33 0.00 0.00 43.42 41.06 2k1s n LEU 141 CO 0.65 0.45 1.24 -0.07 -1.33 0.00 0.00 177.39 178.33 2k1s h LEU 142 N 1.81 0.92 -5.00 2.23 3.38 -1.90 -3.34 115.31 113.41 2k1s h LEU 142 Ca 0.02 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 2k1s h LEU 142 Cb 1.24 -0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.70 2k1s h LEU 142 CO 0.25 0.50 -0.32 1.21 0.09 0.00 0.00 178.44 180.18 2k1s n GLU 143 N -4.59 1.12 0.09 1.13 2.13 -1.26 -4.95 120.64 114.32 2k1s n GLU 143 Ca 0.18 -1.75 0.12 0.00 0.66 0.00 0.00 57.16 56.37 2k1s n GLU 143 Cb 0.34 -0.08 0.13 0.00 0.27 0.00 0.00 31.44 32.11 2k1s n GLU 143 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2k1s h HIS 144 N 1.98 0.00 -2.53 4.31 2.76 -1.74 -3.42 115.15 116.51 2k1s h HIS 144 Ca -0.29 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.51 2k1s h HIS 144 Cb 1.29 0.00 -0.36 0.00 1.55 0.00 0.00 27.41 29.88 2k1s h HIS 144 CO 0.13 0.00 -0.66 -1.01 -1.30 0.00 0.00 177.93 175.08 2k1s s HIS 145 N -3.23 -0.18 -0.58 5.26 3.76 -1.26 -5.09 115.29 113.97 2k1s s HIS 145 Ca 0.05 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 2k1s s HIS 145 Cb 0.11 -0.50 0.14 0.00 1.11 0.00 0.00 32.58 33.45 2k1s s HIS 145 CO 0.73 -0.70 0.34 -1.58 -0.85 0.00 0.00 174.74 172.68 2k1s s HIS 146 N 2.28 3.23 0.00 1.40 5.04 -1.26 -4.60 115.29 121.38 2k1s s HIS 146 Ca 0.07 -3.19 0.00 0.00 -1.54 0.00 0.00 55.06 50.40 2k1s s HIS 146 Cb -0.15 -2.72 0.00 0.00 0.04 0.00 0.00 32.58 29.75 2k1s s HIS 146 CO -0.20 -0.68 0.00 1.58 -2.34 0.00 0.00 174.74 173.10 2k1s n HIS 147 N 2.74 0.00 -3.60 3.88 -0.00 -1.26 -5.13 115.22 111.85 2k1s n HIS 147 Ca 0.10 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.16 2k1s n HIS 147 Cb 0.33 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.14 2k1s n HIS 147 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k1s s HIS 148 N 0.00 -0.57 -0.11 1.57 5.65 -1.26 -5.33 115.29 115.23 2k1s s HIS 148 Ca 0.00 1.23 0.01 0.00 0.25 0.00 0.00 55.06 56.54 2k1s s HIS 148 Cb 0.00 0.37 0.01 0.00 -1.18 0.00 0.00 32.58 31.78 2k1s s HIS 148 CO 0.00 -0.38 0.53 -2.39 -0.65 0.00 0.00 174.74 171.85