#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 -1.73 0.00 2.98 4.19 -1.26 -4.70 117.16 116.63 2k1s n TYR 2 Ca 0.00 0.91 0.00 0.00 3.31 0.00 0.00 57.90 62.12 2k1s n TYR 2 Cb 0.00 -2.15 0.00 0.00 0.49 0.00 0.00 39.34 37.68 2k1s n TYR 2 CO 0.00 0.00 0.00 -0.12 0.91 0.00 0.00 176.86 177.65 2k1s n MET 3 N -0.50 0.00 0.05 2.98 1.56 -1.26 -4.46 117.12 115.49 2k1s n MET 3 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.31 2k1s n MET 3 Cb 0.00 -0.05 -0.09 0.00 2.15 0.00 0.00 33.22 35.23 2k1s n MET 3 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 2k1s h ASP 4 N 0.00 -0.14 0.22 6.12 3.04 -1.98 -2.86 116.42 120.82 2k1s h ASP 4 Ca 0.00 -0.37 -0.01 0.00 -3.24 0.00 0.00 57.03 53.41 2k1s h ASP 4 Cb 0.00 0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.32 2k1s h ASP 4 CO 0.00 0.33 -0.05 1.62 -2.04 0.00 0.00 179.24 179.10 2k1s h VAL 5 N -0.66 0.44 -0.09 4.15 3.04 -1.92 -2.06 116.25 119.15 2k1s h VAL 5 Ca -0.02 -0.27 -0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2k1s h VAL 5 Cb 0.50 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 2k1s h VAL 5 CO 0.03 0.05 0.05 -0.61 -1.01 0.00 0.00 177.57 176.08 2k1s h GLN 6 N 0.00 0.13 -0.25 4.17 4.15 -1.86 -2.33 115.11 119.11 2k1s h GLN 6 Ca -0.00 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 2k1s h GLN 6 Cb 0.18 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2k1s h GLN 6 CO 0.01 0.16 0.02 1.49 -1.93 0.00 0.00 178.83 178.57 2k1s h GLU 7 N 0.06 0.37 -0.49 1.69 4.81 -1.16 -1.76 114.58 118.11 2k1s h GLU 7 Ca 0.03 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2k1s h GLU 7 Cb 0.07 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2k1s h GLU 7 CO -0.01 0.39 0.24 0.00 -0.73 0.00 0.00 179.01 178.90 2k1s h ALA 8 N 1.66 0.62 0.00 2.92 0.00 -1.01 0.47 119.26 123.93 2k1s h ALA 8 Ca 0.09 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2k1s h ALA 8 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k1s h ALA 8 CO 0.00 -0.12 -0.46 0.87 0.00 0.00 0.00 179.25 179.54 2k1s h LYS 9 N 0.46 0.00 -0.37 0.00 1.57 -0.88 -1.38 116.57 115.98 2k1s h LYS 9 Ca 0.22 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.84 2k1s h LYS 9 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2k1s h LYS 9 CO -0.16 0.46 -0.38 -0.07 -0.57 0.00 0.00 179.45 178.73 2k1s h LEU 10 N 0.00 0.94 -0.08 2.94 3.38 -0.44 -1.37 115.31 120.68 2k1s h LEU 10 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2k1s h LEU 10 Cb 0.82 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k1s h LEU 10 CO 0.06 1.21 0.00 0.54 0.09 0.00 0.00 178.44 180.34 2k1s n ARG 11 N -4.06 0.03 0.03 1.13 1.74 0.16 0.24 116.66 115.93 2k1s n ARG 11 Ca -0.02 0.21 -0.20 0.00 -0.77 0.00 0.00 57.85 57.07 2k1s n ARG 11 Cb 0.54 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.28 2k1s n ARG 11 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2k1s h ASP 12 N 0.00 0.43 0.28 0.55 3.58 -0.82 -3.35 116.42 117.09 2k1s h ASP 12 Ca 0.00 -0.81 -0.33 0.00 0.42 0.00 0.00 57.03 56.31 2k1s h ASP 12 Cb 0.34 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 2k1s h ASP 12 CO 0.00 1.71 -1.95 0.29 -2.88 0.00 0.00 179.24 176.42 2k1s n LYS 13 N -3.47 0.68 -0.90 0.28 5.02 -0.56 -4.11 118.16 115.10 2k1s n LYS 13 Ca -0.27 0.23 0.05 0.00 -2.02 0.00 0.00 58.31 56.31 2k1s n LYS 13 Cb 1.06 -1.71 0.39 0.00 -0.02 0.00 0.00 35.03 34.74 2k1s n LYS 13 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2k1s n MET 14 N -3.15 4.68 -0.06 1.97 2.81 0.14 -4.48 117.12 119.03 2k1s n MET 14 Ca -0.26 -3.08 -0.04 0.00 -1.81 0.00 0.00 57.70 52.51 2k1s n MET 14 Cb 1.06 -2.25 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 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 3.74 0.00 -0.05 0.03 2.43 -1.71 -3.27 114.38 115.54 2k1s h ARG 15 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2k1s h ARG 15 Cb 2.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2k1s h ARG 15 CO 0.52 0.23 0.00 0.41 -1.51 0.00 0.00 179.97 179.62 2k1s n GLY 16 N 1.73 -0.66 0.11 2.80 0.00 -1.26 -3.42 105.19 104.49 2k1s n GLY 16 Ca -0.03 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 2k1s n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k1s h THR 17 N 0.53 0.75 0.00 2.61 1.35 -1.82 -3.48 112.91 112.85 2k1s h THR 17 Ca 0.00 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.34 2k1s h THR 17 Cb 0.12 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2k1s h THR 17 CO 0.00 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 2k1s n GLY 18 N 1.80 0.97 3.73 5.82 0.00 -1.22 -4.98 105.19 111.30 2k1s n GLY 18 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 3.47 -0.39 1.61 1.01 -1.23 -4.89 120.40 117.97 2k1s s VAL 19 Ca 0.00 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 2k1s s VAL 19 Cb 0.00 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2k1s s VAL 19 CO 0.00 0.15 0.39 -0.94 0.00 0.00 0.00 175.10 174.70 2k1s s SER 20 N 0.53 6.17 -0.38 3.32 1.04 -1.04 -4.72 113.70 118.63 2k1s s SER 20 Ca 0.57 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 56.24 2k1s s SER 20 Cb -0.34 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.58 2k1s s SER 20 CO 0.35 -0.47 0.71 -0.69 0.98 0.00 0.00 173.24 174.11 2k1s s VAL 21 N 2.02 4.80 -0.22 5.02 1.01 -1.26 -0.59 120.40 131.18 2k1s s VAL 21 Ca 0.11 0.61 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 2k1s s VAL 21 Cb -0.17 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2k1s s VAL 21 CO 0.12 -0.44 0.00 -0.89 0.00 0.00 0.00 175.10 173.90 2k1s s THR 22 N 2.93 3.84 -0.21 3.92 2.01 0.14 -4.95 115.64 123.31 2k1s s THR 22 Ca 0.27 -0.34 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 2k1s s THR 22 Cb -0.14 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 2k1s s THR 22 CO 0.17 0.40 0.63 -0.60 -0.69 0.00 0.00 174.62 174.53 2k1s s ARG 23 N 1.31 4.19 -0.38 4.92 6.06 -1.26 -0.38 118.95 133.41 2k1s s ARG 23 Ca 0.04 0.59 0.01 0.00 -2.50 0.00 0.00 55.73 53.87 2k1s s ARG 23 Cb -0.15 -3.59 0.13 0.00 0.06 0.00 0.00 34.95 31.40 2k1s s ARG 23 CO 0.01 -0.28 0.19 0.45 -2.50 0.00 0.00 175.30 173.17 2k1s s SER 24 N 1.26 3.64 1.63 -2.12 0.15 0.18 -5.01 113.70 113.44 2k1s s SER 24 Ca 0.28 -2.24 0.00 0.00 0.70 0.00 0.00 55.95 54.68 2k1s s SER 24 Cb -0.16 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2k1s s SER 24 CO 0.10 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2k1s n GLY 25 N 4.03 2.54 1.07 9.45 0.00 -1.26 -0.43 105.19 120.60 2k1s n GLY 25 Ca 0.06 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 10.12 3.56 -4.60 1.61 9.92 -1.26 -4.92 116.55 130.97 2k1s n ASP 26 Ca 0.00 -2.00 -0.39 0.00 -0.53 0.00 0.00 54.79 51.87 2k1s n ASP 26 Cb 0.00 -0.39 -0.09 0.00 -0.64 0.00 0.00 41.12 40.00 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 -1.00 6.27 -0.51 -2.24 0.02 0.43 -4.39 114.94 113.52 2k1s s ASN 27 Ca 0.39 0.27 -0.17 0.00 -1.02 0.00 0.00 52.86 52.33 2k1s s ASN 27 Cb 0.20 -2.22 0.09 0.00 0.02 0.00 0.00 41.25 39.34 2k1s s ASN 27 CO 0.26 -0.21 0.49 -0.63 0.02 0.00 0.00 177.10 177.03 2k1s s ILE 28 N 2.10 5.13 -0.47 0.60 1.01 0.11 -0.65 121.20 129.03 2k1s s ILE 28 Ca 0.15 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 2k1s s ILE 28 Cb -0.16 -4.24 0.07 0.00 0.01 0.00 0.00 42.46 38.15 2k1s s ILE 28 CO 0.10 -0.74 0.40 -0.63 0.00 0.00 0.00 174.94 174.07 2k1s s ILE 29 N 1.90 5.23 -0.58 2.92 1.01 0.49 -0.06 121.20 132.12 2k1s s ILE 29 Ca 0.06 -1.08 -0.21 0.00 0.00 0.00 0.00 60.65 59.43 2k1s s ILE 29 Cb -0.25 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.17 2k1s s ILE 29 CO 0.07 -0.59 0.80 -0.76 0.00 0.00 0.00 174.94 174.47 2k1s s LEU 30 N 1.64 4.74 -0.66 2.97 1.02 0.79 0.24 118.68 129.42 2k1s s LEU 30 Ca 0.04 -0.96 -0.27 0.00 0.02 0.00 0.00 54.13 52.96 2k1s s LEU 30 Cb -0.24 -2.47 0.03 0.00 0.02 0.00 0.00 46.19 43.53 2k1s s LEU 30 CO 0.07 -1.17 1.21 0.20 0.02 0.00 0.00 176.35 176.67 2k1s s ASN 31 N 3.25 6.28 -0.26 2.29 -0.87 0.24 -1.13 114.94 124.74 2k1s s ASN 31 Ca 0.19 -0.26 -0.06 0.00 -1.57 0.00 0.00 52.86 51.16 2k1s s ASN 31 Cb -0.19 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.49 2k1s s ASN 31 CO 0.11 -1.65 0.05 -0.04 -2.57 0.00 0.00 177.10 173.00 2k1s s MET 32 N 5.26 3.39 0.28 -0.60 -1.94 0.68 -2.48 119.30 123.89 2k1s s MET 32 Ca 0.37 -0.65 -0.29 0.00 -1.71 0.00 0.00 55.69 53.41 2k1s s MET 32 Cb -0.08 -3.27 -0.10 0.00 2.01 0.00 0.00 34.83 33.39 2k1s s MET 32 CO 0.19 -0.28 1.09 -2.14 -0.01 0.00 0.00 175.02 173.87 2k1s s PRO 33 N 1.54 4.64 0.46 2.03 0.02 -1.26 -0.47 135.00 141.95 2k1s s PRO 33 Ca 0.05 1.78 0.31 0.00 0.02 0.00 0.00 61.00 63.15 2k1s s PRO 33 Cb -0.16 -3.17 1.60 0.00 0.02 0.00 0.00 34.50 32.79 2k1s s PRO 33 CO 0.02 0.22 1.95 -2.95 -0.33 0.00 0.00 177.00 175.90 2k1s h ASN 34 N 3.79 0.00 -0.95 2.53 -1.07 -1.90 -2.25 115.58 115.72 2k1s h ASN 34 Ca -0.47 0.00 0.15 0.00 0.07 0.00 0.00 56.30 56.05 2k1s h ASN 34 Cb 1.21 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.37 2k1s h ASN 34 CO 0.67 0.00 0.57 -1.13 0.07 0.00 0.00 177.43 177.60 2k1s h ASN 35 N 0.00 0.77 -0.20 6.14 -0.00 -1.83 0.36 115.58 120.81 2k1s h ASN 35 Ca 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 56.30 56.33 2k1s h ASN 35 Cb 0.10 -0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 38.32 2k1s h ASN 35 CO 0.00 0.35 -0.05 1.33 -0.00 0.00 0.00 177.43 179.07 2k1s n VAL 36 N -4.73 2.25 0.10 2.57 0.24 -0.85 -4.72 118.33 113.18 2k1s n VAL 36 Ca 0.19 -2.26 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 2k1s n VAL 36 Cb 0.43 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 2k1s n VAL 36 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2k1s n THR 37 N -0.92 0.05 -2.51 3.34 -1.04 -0.92 -3.33 114.28 108.94 2k1s n THR 37 Ca 0.23 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 2k1s n THR 37 Cb 0.86 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2k1s n THR 37 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2k1s n PHE 38 N -3.18 -0.24 -0.27 -1.42 3.72 0.07 -1.66 117.46 114.48 2k1s n PHE 38 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2k1s n PHE 38 Cb 0.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2k1s n PHE 38 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2k1s n ASP 39 N -0.29 0.00 0.10 4.37 5.75 0.00 -4.47 116.55 122.01 2k1s n ASP 39 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 2k1s n ASP 39 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 2k1s n ASP 39 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2k1s h SER 40 N 0.00 0.00 0.00 -1.12 0.02 -1.92 -3.42 113.55 107.12 2k1s h SER 40 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k1s h SER 40 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k1s h SER 40 CO 0.00 0.81 0.00 -1.20 -1.14 0.00 0.00 176.83 175.30 2k1s n SER 41 N -3.56 0.00 0.00 3.07 7.64 -1.26 -4.98 113.62 114.52 2k1s n SER 41 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2k1s n SER 41 Cb 0.78 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2k1s n SER 41 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k1s n SER 42 N -0.98 0.00 -0.29 6.43 7.64 -1.26 -5.02 113.62 120.14 2k1s n SER 42 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k1s n SER 42 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -3.00 0.84 -2.64 -0.43 0.00 -1.26 -4.83 120.51 109.19 2k1s n ALA 43 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2k1s n ALA 43 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 4.75 -0.03 0.00 2.01 -1.26 -4.85 115.64 116.25 2k1s s THR 44 Ca 0.00 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.28 2k1s s THR 44 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2k1s s THR 44 CO 0.00 -0.20 1.30 -0.76 -0.69 0.00 0.00 174.62 174.27 2k1s s LEU 45 N 3.06 4.29 0.28 4.42 1.43 -1.26 -0.82 118.68 130.09 2k1s s LEU 45 Ca 0.37 1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 55.38 2k1s s LEU 45 Cb -0.14 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 2k1s s LEU 45 CO 0.10 -0.66 0.54 -1.59 0.23 0.00 0.00 176.35 174.97 2k1s s LYS 46 N 2.37 3.61 0.28 1.70 -2.85 -0.67 -4.88 119.74 119.30 2k1s s LYS 46 Ca 0.60 -0.05 0.01 0.00 -1.00 0.00 0.00 55.97 55.52 2k1s s LYS 46 Cb -0.28 -2.67 0.65 0.00 -2.06 0.00 0.00 37.83 33.48 2k1s s LYS 46 CO 0.24 0.23 1.67 -1.35 0.10 0.00 0.00 175.35 176.24 2k1s h PRO 47 N 1.66 0.29 -0.58 1.78 0.11 -1.96 0.19 132.00 133.48 2k1s h PRO 47 Ca -0.48 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.65 2k1s h PRO 47 Cb 1.19 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2k1s h PRO 47 CO 0.66 0.19 0.33 0.00 -0.21 0.00 0.00 178.00 178.97 2k1s h ALA 48 N 1.71 0.75 -0.35 -0.75 0.00 -1.92 0.20 119.26 118.90 2k1s h ALA 48 Ca 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 2k1s h ALA 48 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k1s h ALA 48 CO -0.57 0.03 -0.13 0.78 0.00 0.00 0.00 179.25 179.37 2k1s h GLY 49 N 0.65 0.77 0.94 0.00 0.00 -0.93 -2.45 103.07 102.04 2k1s h GLY 49 Ca 0.24 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.93 2k1s h GLY 49 CO -0.13 0.60 0.51 0.00 0.00 0.00 0.00 176.54 177.52 2k1s h ALA 50 N 0.80 1.00 -0.59 3.60 0.00 -0.27 0.05 119.26 123.85 2k1s h ALA 50 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k1s h ALA 50 Cb 0.65 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2k1s h ALA 50 CO 0.04 0.35 0.29 -0.91 0.00 0.00 0.00 179.25 179.02 2k1s h ASN 51 N 1.01 0.75 -0.20 0.00 -0.26 -0.55 0.77 115.58 117.09 2k1s h ASN 51 Ca 0.30 -0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.93 2k1s h ASN 51 Cb -0.06 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 2k1s h ASN 51 CO -0.09 0.63 -0.01 0.74 -1.06 0.00 0.00 177.43 177.65 2k1s h THR 52 N 0.83 1.26 -0.05 2.81 2.02 -0.75 -2.52 112.91 116.50 2k1s h THR 52 Ca 0.21 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 2k1s h THR 52 Cb 0.08 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2k1s h THR 52 CO -0.03 0.27 -0.23 -0.07 0.37 0.00 0.00 175.52 175.83 2k1s h LEU 53 N 0.11 0.08 -0.70 2.58 4.07 -0.62 -1.71 115.31 119.13 2k1s h LEU 53 Ca 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2k1s h LEU 53 Cb 0.41 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 2k1s h LEU 53 CO 0.01 0.32 0.36 0.74 -1.08 0.00 0.00 178.44 178.79 2k1s h THR 54 N 0.08 1.22 -0.70 0.22 2.02 -0.68 0.55 112.91 115.62 2k1s h THR 54 Ca 0.01 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 2k1s h THR 54 Cb 0.46 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2k1s h THR 54 CO 0.03 0.26 0.30 1.23 0.37 0.00 0.00 175.52 177.71 2k1s h GLY 55 N 0.96 1.09 0.97 2.16 0.00 -0.90 -1.33 103.07 106.03 2k1s h GLY 55 Ca 0.24 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2k1s h GLY 55 CO -0.03 0.53 0.10 -2.08 0.00 0.00 0.00 176.54 175.05 2k1s h VAL 56 N 1.01 1.07 -0.52 4.60 2.07 -0.83 -2.67 116.25 120.98 2k1s h VAL 56 Ca 0.24 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2k1s h VAL 56 Cb 0.16 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2k1s h VAL 56 CO -0.02 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.89 2k1s h ALA 57 N 1.02 0.67 -0.53 1.67 0.00 -0.36 0.13 119.26 121.85 2k1s h ALA 57 Ca 0.06 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2k1s h ALA 57 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2k1s h ALA 57 CO -0.01 -0.09 0.32 0.52 0.00 0.00 0.00 179.25 179.99 2k1s h MET 58 N 0.50 0.63 -0.27 0.00 2.86 -1.17 0.12 114.93 117.60 2k1s h MET 58 Ca 0.23 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 2k1s h MET 58 Cb 0.15 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2k1s h MET 58 CO -0.17 0.41 -0.30 0.28 1.06 0.00 0.00 176.91 178.19 2k1s h VAL 59 N 0.65 1.28 -0.26 -2.22 2.07 -1.07 -2.21 116.25 114.49 2k1s h VAL 59 Ca 0.21 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 2k1s h VAL 59 Cb 0.01 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2k1s h VAL 59 CO -0.09 0.45 -0.16 0.25 0.02 0.00 0.00 177.57 178.04 2k1s h LEU 60 N 0.48 0.44 -0.83 2.57 6.46 -0.08 0.67 115.31 125.03 2k1s h LEU 60 Ca 0.06 -0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 2k1s h LEU 60 Cb 0.77 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 2k1s h LEU 60 CO 0.06 0.62 -0.08 0.11 -0.62 0.00 0.00 178.44 178.53 2k1s h LYS 61 N 0.42 0.79 0.04 1.25 1.57 -0.42 -3.19 116.57 117.03 2k1s h LYS 61 Ca 0.07 -0.25 -0.24 0.00 -1.87 0.00 0.00 60.65 58.36 2k1s h LYS 61 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2k1s h LYS 61 CO 0.03 0.85 -1.03 1.49 -0.57 0.00 0.00 179.45 180.22 2k1s h GLU 62 N 0.72 0.39 -3.25 3.15 4.81 -0.75 -3.38 114.58 116.27 2k1s h GLU 62 Ca 0.13 -0.47 -0.63 0.00 -0.13 0.00 0.00 59.36 58.25 2k1s h GLU 62 Cb 0.56 0.15 -0.41 0.00 0.63 0.00 0.00 28.75 29.67 2k1s h GLU 62 CO 0.03 1.15 -0.60 0.71 -0.73 0.00 0.00 179.01 179.57 2k1s s TYR 63 N -3.10 3.35 -0.08 0.92 2.02 0.16 -4.96 117.35 115.65 2k1s s TYR 63 Ca -0.06 -3.25 0.00 0.00 -0.37 0.00 0.00 57.07 53.40 2k1s s TYR 63 Cb 0.08 -2.77 0.10 0.00 -0.40 0.00 0.00 41.96 38.98 2k1s s TYR 63 CO 0.87 -0.65 1.30 -0.35 -1.57 0.00 0.00 175.55 175.15 2k1s n PRO 64 N 2.60 1.22 -0.30 -1.71 -0.04 -1.22 -3.66 135.00 131.89 2k1s n PRO 64 Ca 0.11 -0.50 0.07 0.00 -0.04 0.00 0.00 63.50 63.14 2k1s n PRO 64 Cb 0.33 -1.20 0.22 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.38 2.98 -4.11 0.54 4.76 -1.26 -5.00 118.16 116.45 2k1s n LYS 65 Ca 0.10 -2.37 -0.36 0.00 -2.87 0.00 0.00 58.31 52.82 2k1s n LYS 65 Cb 0.66 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.30 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 -1.40 4.92 -0.25 -0.18 -4.23 -1.24 -0.70 115.64 112.56 2k1s s THR 66 Ca 0.33 -0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.74 2k1s s THR 66 Cb 0.20 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2k1s s THR 66 CO 0.18 0.60 0.11 0.00 -0.54 0.00 0.00 174.62 174.97 2k1s s ALA 67 N -0.83 3.32 -0.77 3.99 0.00 0.30 -4.76 121.76 123.02 2k1s s ALA 67 Ca 0.13 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 50.81 2k1s s ALA 67 Cb -0.12 -2.20 0.09 0.00 0.00 0.00 0.00 23.12 20.90 2k1s s ALA 67 CO 0.03 -0.43 1.03 0.08 0.00 0.00 0.00 175.76 176.47 2k1s s VAL 68 N 1.51 4.48 -0.91 0.00 1.01 0.12 -1.24 120.40 125.37 2k1s s VAL 68 Ca 0.06 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 2k1s s VAL 68 Cb -0.15 -4.72 0.14 0.00 0.00 0.00 0.00 36.38 31.65 2k1s s VAL 68 CO 0.06 -1.48 1.08 0.20 0.00 0.00 0.00 175.10 174.96 2k1s s ASN 69 N 3.71 6.64 -0.53 3.32 0.01 -0.22 -0.08 114.94 127.80 2k1s s ASN 69 Ca 0.26 -2.12 -0.19 0.00 -0.71 0.00 0.00 52.86 50.10 2k1s s ASN 69 Cb -0.12 -2.37 0.07 0.00 0.41 0.00 0.00 41.25 39.23 2k1s s ASN 69 CO 0.02 -1.00 0.66 0.54 -1.51 0.00 0.00 177.10 175.80 2k1s s VAL 70 N 2.37 4.84 -0.52 1.60 0.11 -0.85 0.25 120.40 128.19 2k1s s VAL 70 Ca 0.31 -0.56 -0.15 0.00 -2.93 0.00 0.00 61.98 58.64 2k1s s VAL 70 Cb -0.06 -4.35 0.12 0.00 -1.53 0.00 0.00 36.38 30.56 2k1s s VAL 70 CO -0.09 -0.89 0.46 -0.63 -3.33 0.00 0.00 175.10 170.62 2k1s s ILE 71 N 2.71 5.14 -0.46 7.04 -1.09 -0.01 -2.86 121.20 131.67 2k1s s ILE 71 Ca 0.15 -1.41 -0.21 0.00 -2.23 0.00 0.00 60.65 56.94 2k1s s ILE 71 Cb -0.20 -4.24 0.03 0.00 -1.58 0.00 0.00 42.46 36.47 2k1s s ILE 71 CO 0.11 -0.79 0.69 -0.83 -1.23 0.00 0.00 174.94 172.89 2k1s s GLY 72 N 3.29 1.68 0.72 6.18 0.00 -1.21 -0.49 107.32 117.48 2k1s s GLY 72 Ca 0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 2k1s s GLY 72 CO 0.04 1.61 0.98 -1.72 0.00 0.00 0.00 173.10 174.00 2k1s n TYR 73 N 6.42 -3.22 -3.85 1.90 4.01 0.23 -4.37 117.16 118.28 2k1s n TYR 73 Ca -0.01 -1.48 -0.09 0.00 -0.16 0.00 0.00 57.90 56.16 2k1s n TYR 73 Cb 0.48 -0.73 -0.04 0.00 -0.31 0.00 0.00 39.34 38.74 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 -2.99 0.02 0.09 -0.72 -1.32 -1.19 -4.40 115.64 105.12 2k1s s THR 74 Ca 0.62 -1.04 -0.26 0.00 -1.21 0.00 0.00 61.69 59.79 2k1s s THR 74 Cb -0.03 -1.83 -0.06 0.00 -1.51 0.00 0.00 72.50 69.07 2k1s s THR 74 CO 0.42 -0.09 0.82 -0.62 -2.21 0.00 0.00 174.62 172.94 2k1s s ASP 75 N -2.93 7.34 -0.55 8.08 2.15 -1.26 -4.14 116.67 125.35 2k1s s ASP 75 Ca 0.14 1.59 -0.26 0.00 0.43 0.00 0.00 52.55 54.45 2k1s s ASP 75 Cb -0.01 -2.51 -0.07 0.00 -0.30 0.00 0.00 42.92 40.03 2k1s s ASP 75 CO 0.02 0.04 2.30 -0.44 -0.17 0.00 0.00 175.17 176.91 2k1s s SER 76 N -0.29 4.55 0.48 -0.34 0.01 -1.26 -4.93 113.70 111.93 2k1s s SER 76 Ca 0.40 0.81 0.08 0.00 1.31 0.00 0.00 55.95 58.56 2k1s s SER 76 Cb -0.22 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.53 2k1s s SER 76 CO 0.26 -2.88 0.60 0.42 0.41 0.00 0.00 173.24 172.05 2k1s s THR 77 N 11.82 2.56 0.13 1.44 -4.23 -1.26 -5.05 115.64 121.05 2k1s s THR 77 Ca 0.91 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.27 2k1s s THR 77 Cb -0.16 -2.64 -0.17 0.00 1.34 0.00 0.00 72.50 70.87 2k1s s THR 77 CO 0.23 0.00 1.32 1.23 -0.54 0.00 0.00 174.62 176.86 2k1s h GLY 78 N 0.55 0.54 -7.32 3.99 0.00 -2.02 -3.42 103.07 95.39 2k1s h GLY 78 Ca -0.36 -0.88 -0.52 0.00 0.00 0.00 0.00 47.33 45.56 2k1s h GLY 78 CO 0.46 0.78 1.32 -0.32 0.00 0.00 0.00 176.54 178.78 2k1s s GLY 79 N -4.35 0.39 0.12 4.60 0.00 -1.26 -4.86 107.32 101.96 2k1s s GLY 79 Ca -0.07 -0.45 -0.21 0.00 0.00 0.00 0.00 44.72 43.99 2k1s s GLY 79 CO 0.87 3.33 1.71 0.45 0.00 0.00 0.00 173.10 179.46 2k1s h HIS 80 N 14.18 -0.11 -0.78 1.90 -0.00 -2.01 0.83 115.15 129.16 2k1s h HIS 80 Ca -0.28 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.07 2k1s h HIS 80 Cb 1.16 0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 28.60 2k1s h HIS 80 CO 1.02 -0.08 0.36 0.38 -0.00 0.00 0.00 177.93 179.61 2k1s h ASP 81 N -0.02 1.05 -0.86 2.45 2.03 -1.97 -2.57 116.42 116.53 2k1s h ASP 81 Ca 0.08 -0.15 0.02 0.00 -0.73 0.00 0.00 57.03 56.25 2k1s h ASP 81 Cb 0.13 -0.27 -0.05 0.00 -0.83 0.00 0.00 39.33 38.32 2k1s h ASP 81 CO -0.17 0.90 0.57 -0.07 -1.03 0.00 0.00 179.24 179.45 2k1s h LEU 82 N 1.12 0.96 0.53 0.15 3.38 -1.63 0.31 115.31 120.14 2k1s h LEU 82 Ca 0.27 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2k1s h LEU 82 Cb 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2k1s h LEU 82 CO -0.03 0.68 -0.28 0.78 0.09 0.00 0.00 178.44 179.68 2k1s h ASN 83 N 1.13 -0.69 -0.50 -0.43 2.35 -0.50 -2.64 115.58 114.30 2k1s h ASN 83 Ca 0.33 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 56.01 2k1s h ASN 83 Cb -0.07 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2k1s h ASN 83 CO -0.08 -0.47 -0.03 0.24 -1.65 0.00 0.00 177.43 175.44 2k1s h MET 84 N -0.76 0.96 -0.01 0.81 2.86 -1.09 -0.55 114.93 117.14 2k1s h MET 84 Ca -0.07 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 2k1s h MET 84 Cb 0.60 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k1s h MET 84 CO 0.10 0.96 -0.01 0.00 1.06 0.00 0.00 176.91 179.02 2k1s h ARG 85 N 0.87 -0.01 -0.31 1.72 3.08 -0.39 0.29 114.38 119.63 2k1s h ARG 85 Ca 0.15 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 2k1s h ARG 85 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 2k1s h ARG 85 CO 0.03 -0.01 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.36 2k1s h LEU 86 N -0.01 0.94 0.18 3.04 3.38 -1.41 -1.76 115.31 119.66 2k1s h LEU 86 Ca 0.01 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.51 2k1s h LEU 86 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2k1s h LEU 86 CO -0.02 1.27 -0.22 -1.28 0.09 0.00 0.00 178.44 178.28 2k1s h SER 87 N 0.68 -0.61 -0.59 -0.43 0.87 -0.80 -0.01 113.55 112.65 2k1s h SER 87 Ca 0.03 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 2k1s h SER 87 Cb 1.08 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.24 2k1s h SER 87 CO 0.11 -0.32 0.13 -0.61 -0.53 0.00 0.00 176.83 175.61 2k1s h GLN 88 N -0.45 0.95 -0.77 2.24 5.75 -0.46 -2.61 115.11 119.77 2k1s h GLN 88 Ca 0.01 -0.24 0.02 0.00 -0.15 0.00 0.00 58.65 58.30 2k1s h GLN 88 Cb 0.44 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 2k1s h GLN 88 CO -0.08 0.89 0.50 0.37 -2.65 0.00 0.00 178.83 177.85 2k1s h GLN 89 N 0.86 0.96 -0.68 1.69 4.15 -1.09 -1.09 115.11 119.90 2k1s h GLN 89 Ca 0.18 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.57 2k1s h GLN 89 Cb 0.37 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 2k1s h GLN 89 CO 0.00 0.63 0.44 0.00 -1.93 0.00 0.00 178.83 177.97 2k1s h ARG 90 N 0.99 0.85 0.03 1.69 3.08 -0.72 0.26 114.38 120.55 2k1s h ARG 90 Ca 0.30 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 2k1s h ARG 90 Cb -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.82 2k1s h ARG 90 CO -0.09 0.56 -0.02 0.00 -1.07 0.00 0.00 179.97 179.35 2k1s h ALA 91 N 1.27 -0.04 0.00 0.04 0.00 -1.03 -2.50 119.26 117.00 2k1s h ALA 91 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2k1s h ALA 91 Cb -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k1s h ALA 91 CO -0.08 -0.45 -0.33 -0.44 0.00 0.00 0.00 179.25 177.95 2k1s h ASP 92 N -0.19 0.00 -0.43 0.00 3.32 -1.00 -1.91 116.42 116.21 2k1s h ASP 92 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2k1s h ASP 92 Cb 0.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2k1s h ASP 92 CO 0.01 0.33 0.15 -1.28 -1.72 0.00 0.00 179.24 176.72 2k1s h SER 93 N 0.00 0.62 -0.31 6.45 0.87 -0.29 0.14 113.55 121.04 2k1s h SER 93 Ca -0.00 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 2k1s h SER 93 Cb 0.71 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2k1s h SER 93 CO 0.04 0.65 0.03 0.58 -0.53 0.00 0.00 176.83 177.60 2k1s h VAL 94 N 0.56 1.24 -0.42 2.23 2.07 -1.12 -2.35 116.25 118.46 2k1s h VAL 94 Ca 0.14 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2k1s h VAL 94 Cb 0.24 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2k1s h VAL 94 CO -0.01 0.28 0.22 0.00 0.02 0.00 0.00 177.57 178.09 2k1s h ALA 95 N 0.86 0.53 -0.74 1.67 0.00 -1.15 -1.84 119.26 118.59 2k1s h ALA 95 Ca 0.09 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2k1s h ALA 95 Cb 0.38 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2k1s h ALA 95 CO 0.01 -0.12 0.49 0.77 0.00 0.00 0.00 179.25 180.39 2k1s h SER 96 N 0.45 0.84 -0.69 0.00 0.02 -0.63 0.12 113.55 113.66 2k1s h SER 96 Ca 0.18 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2k1s h SER 96 Cb 0.06 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 2k1s h SER 96 CO -0.11 0.60 0.43 0.00 -1.14 0.00 0.00 176.83 176.61 2k1s h ALA 97 N 1.28 1.45 -0.21 3.77 0.00 -0.94 0.11 119.26 124.72 2k1s h ALA 97 Ca 0.28 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2k1s h ALA 97 Cb -0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2k1s h ALA 97 CO -0.07 0.48 -0.31 -0.07 0.00 0.00 0.00 179.25 179.28 2k1s h LEU 98 N 0.95 0.63 -1.06 0.00 3.38 -0.52 -2.93 115.31 115.77 2k1s h LEU 98 Ca 0.25 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2k1s h LEU 98 Cb -0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 2k1s h LEU 98 CO -0.05 1.03 0.64 0.40 0.09 0.00 0.00 178.44 180.55 2k1s h ILE 99 N 0.26 1.24 -0.50 1.22 2.04 -0.17 -0.67 117.51 120.92 2k1s h ILE 99 Ca 0.02 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.47 2k1s h ILE 99 Cb 0.89 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2k1s h ILE 99 CO 0.07 0.24 0.33 0.74 0.00 0.00 0.00 178.15 179.53 2k1s h THR 100 N 1.29 1.06 0.00 -0.27 2.02 -0.76 -0.59 112.91 115.66 2k1s h THR 100 Ca 0.36 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2k1s h THR 100 Cb -0.13 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2k1s h THR 100 CO -0.08 0.10 0.00 0.00 0.37 0.00 0.00 175.52 175.91 2k1s n GLN 101 N -4.47 0.09 0.00 6.66 1.13 -0.39 -4.88 117.38 115.52 2k1s n GLN 101 Ca 0.06 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2k1s n GLN 101 Cb 0.14 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.89 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 1.36 1.21 3.72 1.08 0.00 -0.23 -5.04 105.19 107.29 2k1s n GLY 102 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 3.89 0.31 1.61 1.01 -0.45 -4.97 120.40 119.80 2k1s s VAL 103 Ca 0.00 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 2k1s s VAL 103 Cb 0.00 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 2k1s s VAL 103 CO 0.00 0.12 1.41 -0.62 0.00 0.00 0.00 175.10 176.01 2k1s s ASP 104 N 0.95 6.61 0.13 3.32 2.15 -1.26 -4.04 116.67 124.51 2k1s s ASP 104 Ca 0.59 2.79 0.05 0.00 0.43 0.00 0.00 52.55 56.40 2k1s s ASP 104 Cb -0.31 -2.64 -0.17 0.00 -0.30 0.00 0.00 42.92 39.50 2k1s s ASP 104 CO 0.30 -0.69 1.28 0.00 -0.17 0.00 0.00 175.17 175.89 2k1s h ALA 105 N 3.91 0.36 0.00 3.66 0.00 -1.95 -3.30 119.26 121.94 2k1s h ALA 105 Ca -0.48 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.56 2k1s h ALA 105 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k1s h ALA 105 CO 0.70 1.13 0.00 0.66 0.00 0.00 0.00 179.25 181.74 2k1s h SER 106 N 0.03 0.00 -0.63 0.00 4.64 -2.03 -0.95 113.55 114.61 2k1s h SER 106 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2k1s h SER 106 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 2k1s h SER 106 CO 0.14 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.99 2k1s n ARG 107 N -2.68 2.53 -4.68 4.77 1.85 -1.24 -4.88 116.66 112.34 2k1s n ARG 107 Ca 0.02 -2.30 -0.33 0.00 -1.00 0.00 0.00 57.85 54.23 2k1s n ARG 107 Cb 0.28 -1.52 -0.12 0.00 -1.05 0.00 0.00 32.46 30.06 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2k1s s ILE 108 N -1.20 3.48 -0.12 8.89 1.01 -0.36 0.14 121.20 133.04 2k1s s ILE 108 Ca 0.43 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 2k1s s ILE 108 Cb 0.23 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 40.31 2k1s s ILE 108 CO 0.28 0.55 0.01 -0.60 0.00 0.00 0.00 174.94 175.19 2k1s s ARG 109 N -0.91 0.66 -0.25 2.79 3.52 0.89 -4.91 118.95 120.74 2k1s s ARG 109 Ca 0.13 -0.10 -0.10 0.00 -0.13 0.00 0.00 55.73 55.53 2k1s s ARG 109 Cb -0.11 -1.43 -0.05 0.00 -1.56 0.00 0.00 34.95 31.81 2k1s s ARG 109 CO 0.02 -0.43 0.14 0.95 -0.81 0.00 0.00 175.30 175.18 2k1s s THR 110 N 1.92 5.10 -0.20 4.11 -4.23 -1.26 -2.01 115.64 119.07 2k1s s THR 110 Ca 0.03 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2k1s s THR 110 Cb -0.14 -3.39 0.05 0.00 1.34 0.00 0.00 72.50 70.36 2k1s s THR 110 CO -0.06 0.33 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.18 2k1s s GLN 111 N 1.28 1.64 -0.94 3.99 -0.21 -1.14 -4.98 119.66 119.30 2k1s s GLN 111 Ca 0.07 -0.74 -0.15 0.00 0.02 0.00 0.00 55.36 54.56 2k1s s GLN 111 Cb -0.14 -2.29 0.19 0.00 1.00 0.00 0.00 33.01 31.76 2k1s s GLN 111 CO 0.06 -0.48 1.02 0.20 -2.12 0.00 0.00 175.29 173.96 2k1s s GLY 112 N 1.51 2.43 0.51 3.09 0.00 -1.26 -3.33 107.32 110.27 2k1s s GLY 112 Ca -0.02 -3.19 0.30 0.00 0.00 0.00 0.00 44.72 41.82 2k1s s GLY 112 CO -0.07 1.64 1.85 1.41 0.00 0.00 0.00 173.10 177.93 2k1s h LEU 113 N 8.85 0.00 0.00 0.66 3.38 -1.89 -3.41 115.31 122.90 2k1s h LEU 113 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2k1s h LEU 113 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2k1s h LEU 113 CO 0.97 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.11 2k1s n GLY 114 N 0.41 1.89 1.21 0.83 0.00 -1.26 -2.94 105.19 105.33 2k1s n GLY 114 Ca 0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 13.02 2.04 -0.07 1.61 -0.04 -1.26 -3.96 135.00 146.34 2k1s n PRO 115 Ca 0.00 -1.15 -0.14 0.00 -0.04 0.00 0.00 63.50 62.17 2k1s n PRO 115 Cb 0.00 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.76 2k1s n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1s h ALA 116 N 2.27 0.34 -3.46 0.55 0.00 -1.91 -3.39 119.26 113.66 2k1s h ALA 116 Ca 0.10 -0.45 -0.64 0.00 0.00 0.00 0.00 54.91 53.92 2k1s h ALA 116 Cb 1.33 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.65 2k1s h ALA 116 CO 0.28 0.43 -0.66 1.21 0.00 0.00 0.00 179.25 180.51 2k1s s ASN 117 N -6.62 4.43 -0.08 0.00 3.04 -1.26 -5.09 114.94 109.36 2k1s s ASN 117 Ca -0.12 -2.72 -0.21 0.00 0.04 0.00 0.00 52.86 49.86 2k1s s ASN 117 Cb 0.08 -1.61 -0.04 0.00 -1.54 0.00 0.00 41.25 38.14 2k1s s ASN 117 CO 0.83 -0.28 0.58 -2.16 -3.04 0.00 0.00 177.10 173.03 2k1s s PRO 118 N 0.13 4.37 0.16 0.43 0.05 -1.26 -4.96 135.00 133.92 2k1s s PRO 118 Ca 0.15 0.66 0.18 0.00 0.05 0.00 0.00 61.00 62.04 2k1s s PRO 118 Cb -0.24 -3.42 -0.03 0.00 0.05 0.00 0.00 34.50 30.86 2k1s s PRO 118 CO -0.03 0.16 1.07 0.97 0.05 0.00 0.00 177.00 179.22 2k1s h ILE 119 N 4.62 0.48 -3.57 0.56 2.10 -1.92 -3.47 117.51 116.32 2k1s h ILE 119 Ca -0.42 -1.83 -0.29 0.00 1.08 0.00 0.00 64.86 63.41 2k1s h ILE 119 Cb 1.19 2.04 -0.15 0.00 -1.09 0.00 0.00 36.82 38.81 2k1s h ILE 119 CO 0.74 0.27 -0.70 0.00 -1.08 0.00 0.00 178.15 177.39 2k1s s ALA 120 N -3.03 1.29 0.24 0.18 0.00 -1.26 -5.09 121.76 114.09 2k1s s ALA 120 Ca -0.00 -1.46 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 2k1s s ALA 120 Cb 0.08 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 2k1s s ALA 120 CO 0.78 -0.17 1.27 -1.12 0.00 0.00 0.00 175.76 176.52 2k1s s SER 121 N -3.13 6.94 0.00 0.00 0.01 -1.26 -4.81 113.70 111.46 2k1s s SER 121 Ca 0.16 2.43 0.24 0.00 1.31 0.00 0.00 55.95 60.09 2k1s s SER 121 Cb 0.04 -2.62 1.17 0.00 0.21 0.00 0.00 66.02 64.82 2k1s s SER 121 CO -0.01 -0.46 1.79 0.59 0.41 0.00 0.00 173.24 175.56 2k1s n ASN 122 N 2.03 0.76 0.17 2.44 3.02 -1.26 -3.32 115.26 119.10 2k1s n ASN 122 Ca 0.04 -1.42 0.03 0.00 -0.03 0.00 0.00 54.58 53.19 2k1s n ASN 122 Cb 0.43 -0.03 0.28 0.00 -0.61 0.00 0.00 39.78 39.85 2k1s n ASN 122 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2k1s h SER 123 N 1.08 0.00 -2.59 6.41 0.87 -1.97 -3.44 113.55 113.91 2k1s h SER 123 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2k1s h SER 123 Cb 0.23 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.12 2k1s h SER 123 CO 0.00 0.46 -0.58 0.42 -0.53 0.00 0.00 176.83 176.60 2k1s s THR 124 N -3.68 4.23 0.35 2.23 -4.23 -1.21 -5.02 115.64 108.31 2k1s s THR 124 Ca -0.01 -1.29 0.09 0.00 -1.18 0.00 0.00 61.69 59.30 2k1s s THR 124 Cb 0.12 -3.19 0.09 0.00 1.34 0.00 0.00 72.50 70.86 2k1s s THR 124 CO 0.72 -0.18 1.81 0.00 -0.54 0.00 0.00 174.62 176.42 2k1s h ALA 125 N 2.23 1.32 -0.46 3.99 0.00 -1.88 -2.39 119.26 122.07 2k1s h ALA 125 Ca -0.47 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 2k1s h ALA 125 Cb 1.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2k1s h ALA 125 CO 0.61 0.47 -0.08 1.05 0.00 0.00 0.00 179.25 181.30 2k1s h GLU 126 N 0.16 0.81 -0.12 0.00 4.11 -1.95 -0.88 114.58 116.71 2k1s h GLU 126 Ca 0.02 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.17 2k1s h GLU 126 Cb 0.62 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k1s h GLU 126 CO 0.04 0.87 -0.00 0.78 0.07 0.00 0.00 179.01 180.77 2k1s h GLY 127 N 0.98 0.23 2.00 1.06 0.00 -1.55 -1.67 103.07 104.11 2k1s h GLY 127 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2k1s h GLY 127 CO 0.03 0.15 -0.02 0.50 0.00 0.00 0.00 176.54 177.21 2k1s h LYS 128 N -0.06 0.00 0.00 4.80 1.57 -1.33 0.59 116.57 122.14 2k1s h LYS 128 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 2k1s h LYS 128 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2k1s h LYS 128 CO 0.01 0.02 -0.72 0.00 -0.57 0.00 0.00 179.45 178.19 2k1s h ALA 129 N 1.98 0.56 0.00 3.86 0.00 -0.89 -3.22 119.26 121.55 2k1s h ALA 129 Ca -0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 54.91 53.99 2k1s h ALA 129 Cb 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2k1s h ALA 129 CO 0.00 0.90 -1.62 1.96 0.00 0.00 0.00 179.25 180.49 2k1s h GLN 130 N 0.00 0.00 0.00 0.00 4.20 -0.28 -3.35 115.11 115.68 2k1s h GLN 130 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2k1s h GLN 130 Cb 1.52 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.30 2k1s h GLN 130 CO 0.09 0.47 -0.07 -0.91 -0.67 0.00 0.00 178.83 177.74 2k1s h ASN 131 N 0.00 0.00 -0.10 1.46 2.35 -1.02 -3.21 115.58 115.05 2k1s h ASN 131 Ca -0.25 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.44 2k1s h ASN 131 Cb 1.92 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 40.26 2k1s h ASN 131 CO 0.07 0.07 0.08 -2.11 -1.65 0.00 0.00 177.43 173.90 2k1s n ARG 132 N -3.14 1.16 -2.79 0.81 1.85 -1.22 -3.18 116.66 110.14 2k1s n ARG 132 Ca 0.02 -0.33 -0.21 0.00 -1.00 0.00 0.00 57.85 56.34 2k1s n ARG 132 Cb 0.47 -1.13 0.07 0.00 -1.05 0.00 0.00 32.46 30.81 2k1s n ARG 132 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2k1s s ARG 133 N -0.37 2.20 -0.09 2.89 1.70 -1.22 -4.30 118.95 119.76 2k1s s ARG 133 Ca 0.06 -1.23 -0.01 0.00 -0.47 0.00 0.00 55.73 54.09 2k1s s ARG 133 Cb 0.05 -2.52 0.03 0.00 -0.57 0.00 0.00 34.95 31.94 2k1s s ARG 133 CO 0.00 -0.96 -0.05 0.08 -1.08 0.00 0.00 175.30 173.30 2k1s s VAL 134 N -2.81 0.77 -0.26 4.99 1.01 0.38 -0.60 120.40 123.89 2k1s s VAL 134 Ca 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 2k1s s VAL 134 Cb -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.50 2k1s s VAL 134 CO 0.40 0.32 -0.04 -1.61 0.00 0.00 0.00 175.10 174.17 2k1s s GLU 135 N 1.70 2.87 -0.43 2.72 2.02 0.35 -0.23 118.70 127.71 2k1s s GLU 135 Ca 0.03 -0.96 -0.20 0.00 0.02 0.00 0.00 54.97 53.86 2k1s s GLU 135 Cb -0.13 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.08 2k1s s GLU 135 CO -0.06 -0.41 0.58 0.42 0.02 0.00 0.00 175.26 175.81 2k1s s ILE 136 N 1.35 4.91 -0.44 -1.63 1.01 -0.29 -0.83 121.20 125.29 2k1s s ILE 136 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.51 2k1s s ILE 136 Cb -0.17 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.20 2k1s s ILE 136 CO -0.03 -0.53 0.34 -0.89 0.00 0.00 0.00 174.94 173.82 2k1s s THR 137 N 2.62 5.16 -0.30 2.92 2.01 0.14 -0.15 115.64 128.04 2k1s s THR 137 Ca 0.20 -0.90 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 2k1s s THR 137 Cb -0.15 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.38 2k1s s THR 137 CO 0.17 -0.44 0.87 -0.76 -0.69 0.00 0.00 174.62 173.77 2k1s s LEU 138 N 1.64 4.05 0.32 4.42 1.43 0.92 -1.06 118.68 130.40 2k1s s LEU 138 Ca 0.04 0.83 0.10 0.00 -1.03 0.00 0.00 54.13 54.07 2k1s s LEU 138 Cb -0.22 -3.22 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 2k1s s LEU 138 CO 0.08 -0.67 -0.10 -0.44 0.23 0.00 0.00 176.35 175.45 2k1s s SER 139 N 1.58 3.86 0.26 2.29 0.01 -0.37 -0.71 113.70 120.62 2k1s s SER 139 Ca 0.36 -1.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 2k1s s SER 139 Cb -0.14 -0.42 -0.09 0.00 0.21 0.00 0.00 66.02 65.58 2k1s s SER 139 CO 0.12 -0.12 1.04 -2.84 0.41 0.00 0.00 173.24 171.86 2k1s s PRO 140 N -3.61 4.72 -0.83 12.44 0.02 -1.26 0.11 135.00 146.59 2k1s s PRO 140 Ca 0.32 1.69 -0.25 0.00 0.02 0.00 0.00 61.00 62.78 2k1s s PRO 140 Cb -0.01 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 2k1s s PRO 140 CO 0.17 0.32 1.85 -0.51 -0.33 0.00 0.00 177.00 178.50 2k1s s LEU 141 N -1.32 3.23 0.00 -5.54 1.43 0.13 -4.51 118.68 112.10 2k1s s LEU 141 Ca 0.43 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2k1s s LEU 141 Cb -0.30 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.37 2k1s s LEU 141 CO 0.38 -2.49 0.00 -0.11 0.23 0.00 0.00 176.35 174.36 2k1s n LEU 142 N 12.95 1.03 -0.26 1.79 0.00 -1.26 -4.80 117.00 126.46 2k1s n LEU 142 Ca 0.32 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.46 2k1s n LEU 142 Cb 0.49 0.00 0.39 0.00 0.00 0.00 0.00 43.42 44.30 2k1s n LEU 142 CO 0.64 0.17 1.22 -0.33 0.00 0.00 0.00 177.39 179.09 2k1s h GLU 143 N 0.00 0.64 -3.08 1.96 5.08 -2.02 -3.42 114.58 113.74 2k1s h GLU 143 Ca 0.00 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 2k1s h GLU 143 Cb 0.72 -0.14 -0.27 0.00 0.50 0.00 0.00 28.75 29.56 2k1s h GLU 143 CO 0.00 0.42 -0.43 -3.38 -1.00 0.00 0.00 179.01 174.62 2k1s s HIS 144 N -5.65 -0.30 -0.24 4.33 -3.43 -1.26 -5.13 115.29 103.61 2k1s s HIS 144 Ca -0.10 0.73 -0.01 0.00 -0.80 0.00 0.00 55.06 54.88 2k1s s HIS 144 Cb 0.22 0.09 0.07 0.00 -1.43 0.00 0.00 32.58 31.53 2k1s s HIS 144 CO 0.79 -0.16 0.03 -1.01 -2.00 0.00 0.00 174.74 172.39 2k1s s HIS 145 N 0.44 1.58 -0.02 0.38 3.76 -1.26 -4.98 115.29 115.20 2k1s s HIS 145 Ca -0.03 -1.36 -0.20 0.00 -0.15 0.00 0.00 55.06 53.32 2k1s s HIS 145 Cb -0.04 -1.38 -0.27 0.00 1.11 0.00 0.00 32.58 31.99 2k1s s HIS 145 CO -0.02 -0.73 1.01 1.25 -0.85 0.00 0.00 174.74 175.39 2k1s h HIS 146 N 8.12 0.60 -3.59 1.40 2.76 -2.00 -3.41 115.15 119.03 2k1s h HIS 146 Ca -0.16 -0.38 -0.70 0.00 -2.20 0.00 0.00 60.37 56.93 2k1s h HIS 146 Cb 1.08 -0.05 -0.23 0.00 1.55 0.00 0.00 27.41 29.75 2k1s h HIS 146 CO 0.36 1.24 -0.51 -1.58 -1.30 0.00 0.00 177.93 176.14 2k1s s HIS 147 N -2.84 3.23 -0.09 5.26 5.65 -1.26 -4.79 115.29 120.45 2k1s s HIS 147 Ca -0.13 -0.81 -0.06 0.00 0.25 0.00 0.00 55.06 54.30 2k1s s HIS 147 Cb 0.02 -2.45 0.02 0.00 -1.18 0.00 0.00 32.58 29.00 2k1s s HIS 147 CO 0.83 -0.60 0.12 0.72 -0.65 0.00 0.00 174.74 175.17 2k1s n HIS 148 N 5.02 -3.43 -0.85 3.88 8.25 -1.26 -5.24 115.22 121.59 2k1s n HIS 148 Ca -0.12 2.02 0.00 0.00 -0.26 0.00 0.00 57.72 59.36 2k1s n HIS 148 Cb 0.47 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.25 2k1s n HIS 148 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59