#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k36 s ALA 2 N 0.00 2.57 -0.42 3.17 0.00 -1.26 -5.04 121.76 120.78 2k36 s ALA 2 Ca 0.00 -2.33 0.02 0.00 0.00 0.00 0.00 51.96 49.65 2k36 s ALA 2 Cb 0.00 -1.89 0.12 0.00 0.00 0.00 0.00 23.12 21.36 2k36 s ALA 2 CO 0.00 -1.68 0.20 0.99 0.00 0.00 0.00 175.76 175.26 2k36 s THR 3 N 1.07 1.61 -0.37 0.00 2.01 -1.26 -5.04 115.64 113.67 2k36 s THR 3 Ca 0.11 -2.46 0.00 0.00 0.31 0.00 0.00 61.69 59.65 2k36 s THR 3 Cb -0.19 -2.14 0.13 0.00 0.01 0.00 0.00 72.50 70.31 2k36 s THR 3 CO -0.12 -0.81 0.21 -0.75 -0.69 0.00 0.00 174.62 172.46 2k36 s LYS 4 N 0.52 0.71 0.00 4.92 2.20 -1.26 -4.85 119.74 121.99 2k36 s LYS 4 Ca 0.15 -1.43 0.00 0.00 -0.36 0.00 0.00 55.97 54.34 2k36 s LYS 4 Cb -0.23 -1.57 0.00 0.00 -1.51 0.00 0.00 37.83 34.52 2k36 s LYS 4 CO -0.05 -1.18 0.21 -0.11 -0.36 0.00 0.00 175.35 173.87 2k36 n LEU 5 N 4.04 0.10 0.00 5.43 7.94 -1.26 -5.10 117.00 128.15 2k36 n LEU 5 Ca 0.09 -0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k36 n LEU 5 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 2k36 n LEU 5 CO 0.16 0.02 0.00 -0.90 -1.11 0.00 0.00 177.39 175.56 2k36 n ASP 6 N -0.01 0.00 -0.25 1.96 5.75 -1.26 -4.91 116.55 117.83 2k36 n ASP 6 Ca 0.00 -0.04 -0.03 0.00 -0.01 0.00 0.00 54.79 54.71 2k36 n ASP 6 Cb 0.32 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.40 2k36 n ASP 6 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k36 n TYR 7 N 0.00 0.00 -0.06 2.11 9.36 -1.26 -4.86 117.16 122.45 2k36 n TYR 7 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 2k36 n TYR 7 Cb 0.00 -1.51 -0.03 0.00 -0.63 0.00 0.00 39.34 37.16 2k36 n TYR 7 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2k36 h GLU 8 N 0.29 0.00 0.00 2.98 5.08 -2.01 -3.28 114.58 117.64 2k36 h GLU 8 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k36 h GLU 8 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k36 h GLU 8 CO 0.10 0.23 0.00 -0.40 -1.00 0.00 0.00 179.01 177.94 2k36 n ASP 9 N -4.68 0.00 -4.55 1.42 5.75 -1.26 -4.66 116.55 108.57 2k36 n ASP 9 Ca -0.06 -0.52 -0.17 0.00 -0.01 0.00 0.00 54.79 54.02 2k36 n ASP 9 Cb 0.20 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.16 2k36 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k36 n ALA 10 N -1.04 0.49 0.00 2.12 0.00 -1.24 -4.68 120.51 116.16 2k36 n ALA 10 Ca 0.14 -1.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.11 2k36 n ALA 10 Cb 0.08 -3.14 -0.14 0.00 0.00 0.00 0.00 19.45 16.25 2k36 n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2k36 h VAL 11 N 7.61 0.66 -2.74 0.00 3.04 -1.91 -3.48 116.25 119.44 2k36 h VAL 11 Ca -0.02 -2.34 -0.59 0.00 -1.01 0.00 0.00 66.70 62.74 2k36 h VAL 11 Cb 1.05 2.50 0.11 0.00 -2.01 0.00 0.00 31.29 32.95 2k36 h VAL 11 CO 1.11 0.85 0.20 2.22 -1.01 0.00 0.00 177.57 180.94 2k36 n PHE 12 N -3.57 1.42 -0.09 3.17 1.16 -1.26 -4.94 117.46 113.34 2k36 n PHE 12 Ca -0.32 0.65 -0.16 0.00 -1.87 0.00 0.00 57.45 55.76 2k36 n PHE 12 Cb 1.02 -2.27 -0.08 0.00 -1.61 0.00 0.00 39.48 36.54 2k36 n PHE 12 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 2k36 n TYR 13 N 0.10 0.00 1.48 2.97 9.36 -1.26 -4.47 117.16 125.33 2k36 n TYR 13 Ca 0.09 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.45 2k36 n TYR 13 Cb 0.34 -0.68 0.77 0.00 -0.63 0.00 0.00 39.34 39.14 2k36 n TYR 13 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2k36 n PHE 14 N -3.35 0.00 -0.33 2.98 3.72 -1.26 -3.62 117.46 115.59 2k36 n PHE 14 Ca -0.34 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.15 2k36 n PHE 14 Cb 0.80 -0.23 0.19 0.00 -0.94 0.00 0.00 39.48 39.30 2k36 n PHE 14 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2k36 h VAL 15 N 0.00 0.06 -0.12 -4.37 3.04 -1.98 -1.43 116.25 111.46 2k36 h VAL 15 Ca 0.00 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2k36 h VAL 15 Cb 0.23 0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 29.56 2k36 h VAL 15 CO 0.00 0.00 -0.01 -0.67 -1.01 0.00 0.00 177.57 175.89 2k36 n ASP 16 N -5.54 3.01 -0.33 3.17 2.03 -1.24 0.07 116.55 117.73 2k36 n ASP 16 Ca 0.18 -3.08 0.15 0.00 0.52 0.00 0.00 54.79 52.56 2k36 n ASP 16 Cb 0.57 -0.48 0.38 0.00 -0.72 0.00 0.00 41.12 40.87 2k36 n ASP 16 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k36 h ASP 17 N 0.80 0.67 0.00 1.67 3.58 -1.38 -3.40 116.42 118.37 2k36 h ASP 17 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2k36 h ASP 17 Cb 1.20 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2k36 h ASP 17 CO 0.10 0.23 0.00 -0.67 -2.88 0.00 0.00 179.24 176.02 2k36 n ASP 18 N -4.70 0.00 -4.62 2.28 2.03 -1.26 -4.88 116.55 105.41 2k36 n ASP 18 Ca 0.23 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.25 2k36 n ASP 18 Cb 0.63 -0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.73 2k36 n ASP 18 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2k36 s LYS 19 N 0.00 1.98 0.14 -0.67 -2.85 -1.26 -4.25 119.74 112.83 2k36 s LYS 19 Ca 0.00 -2.16 -0.30 0.00 -1.00 0.00 0.00 55.97 52.51 2k36 s LYS 19 Cb 0.00 -1.50 -0.07 0.00 -2.06 0.00 0.00 37.83 34.20 2k36 s LYS 19 CO 0.00 -0.15 1.01 -1.50 0.10 0.00 0.00 175.35 174.81 2k36 s ILE 20 N -2.83 4.24 0.00 3.79 1.10 -1.26 -4.69 121.20 121.55 2k36 s ILE 20 Ca 0.28 1.91 0.00 0.00 -0.51 0.00 0.00 60.65 62.33 2k36 s ILE 20 Cb 0.08 -4.22 0.00 0.00 0.15 0.00 0.00 42.46 38.47 2k36 s ILE 20 CO 0.14 0.32 0.00 0.00 -2.11 0.00 0.00 174.94 173.29 2k36 s SER 22 N -0.99 4.48 0.24 0.00 0.15 -1.26 -4.94 113.70 111.39 2k36 s SER 22 Ca 0.00 1.40 -0.05 0.00 0.70 0.00 0.00 55.95 58.00 2k36 s SER 22 Cb 0.00 -2.14 0.44 0.00 -1.71 0.00 0.00 66.02 62.61 2k36 s SER 22 CO 0.00 -1.99 1.73 0.03 1.20 0.00 0.00 173.24 174.21 2k36 h ARG 23 N -1.10 0.43 0.00 5.44 3.08 -2.00 -1.83 114.38 118.41 2k36 h ARG 23 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2k36 h ARG 23 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2k36 h ARG 23 CO 0.58 0.29 0.00 -3.47 -1.07 0.00 0.00 179.97 176.29 2k36 n ASP 24 N -5.00 0.00 -0.05 7.04 2.03 -1.26 -1.98 116.55 117.34 2k36 n ASP 24 Ca 0.14 0.29 -0.09 0.00 0.52 0.00 0.00 54.79 55.65 2k36 n ASP 24 Cb 0.40 -0.40 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 2k36 n ASP 24 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k36 n SER 25 N -1.40 0.58 0.19 1.67 2.88 -0.69 -3.61 113.62 113.24 2k36 n SER 25 Ca 0.06 0.28 0.14 0.00 -1.33 0.00 0.00 58.87 58.01 2k36 n SER 25 Cb 0.16 0.31 0.47 0.00 -0.75 0.00 0.00 64.21 64.40 2k36 n SER 25 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2k36 h ILE 26 N 0.00 0.00 0.45 2.46 1.08 -1.33 0.19 117.51 120.37 2k36 h ILE 26 Ca -0.37 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 2k36 h ILE 26 Cb 2.08 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 2k36 h ILE 26 CO 0.06 0.00 -0.22 0.40 -0.69 0.00 0.00 178.15 177.70 2k36 h ILE 27 N 0.00 0.49 -0.06 -0.67 1.08 -1.60 -2.75 117.51 114.00 2k36 h ILE 27 Ca 0.00 -0.38 -0.18 0.00 -0.39 0.00 0.00 64.86 63.90 2k36 h ILE 27 Cb 0.62 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2k36 h ILE 27 CO 0.00 0.06 -0.75 -0.78 -0.69 0.00 0.00 178.15 176.00 2k36 h ASP 28 N -0.85 0.45 -0.35 1.72 1.82 -1.60 -3.33 116.42 114.26 2k36 h ASP 28 Ca -0.06 -0.30 0.08 0.00 -0.39 0.00 0.00 57.03 56.36 2k36 h ASP 28 Cb 0.57 -0.13 -0.08 0.00 0.68 0.00 0.00 39.33 40.37 2k36 h ASP 28 CO 0.10 1.04 -0.18 0.25 -1.61 0.00 0.00 179.24 178.84 2k36 h LEU 29 N 0.25 -0.60 -1.64 2.28 5.85 -0.57 -1.20 115.31 119.68 2k36 h LEU 29 Ca -0.03 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2k36 h LEU 29 Cb 1.32 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 2k36 h LEU 29 CO 0.13 -0.21 0.10 0.40 -0.34 0.00 0.00 178.44 178.51 2k36 h ILE 30 N -0.12 1.10 -0.22 4.05 1.08 -1.60 0.24 117.51 122.04 2k36 h ILE 30 Ca 0.18 -0.30 -0.15 0.00 -0.39 0.00 0.00 64.86 64.19 2k36 h ILE 30 Cb 0.39 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2k36 h ILE 30 CO -0.43 0.12 -0.46 -0.78 -0.69 0.00 0.00 178.15 175.90 2k36 h ASP 31 N 0.34 0.79 -0.03 1.72 3.58 -1.47 -2.18 116.42 119.17 2k36 h ASP 31 Ca 0.09 -0.55 0.01 0.00 0.42 0.00 0.00 57.03 57.00 2k36 h ASP 31 Cb 0.07 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2k36 h ASP 31 CO -0.01 1.20 -0.04 -0.33 -2.88 0.00 0.00 179.24 177.17 2k36 h GLU 32 N 0.42 -0.06 -0.06 0.28 4.39 0.04 -1.87 114.58 117.72 2k36 h GLU 32 Ca 0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2k36 h GLU 32 Cb 1.07 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2k36 h GLU 32 CO 0.10 -0.04 -0.02 -0.92 -1.16 0.00 0.00 179.01 176.97 2k36 h TYR 33 N -0.06 0.14 -0.48 4.33 3.20 -0.61 0.64 116.97 124.14 2k36 h TYR 33 Ca 0.03 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2k36 h TYR 33 Cb 0.10 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2k36 h TYR 33 CO -0.13 0.48 0.32 0.82 -1.64 0.00 0.00 178.16 178.00 2k36 h ILE 34 N -0.23 1.04 0.01 1.81 1.08 -1.44 0.29 117.51 120.07 2k36 h ILE 34 Ca 0.02 -0.18 -0.20 0.00 -0.39 0.00 0.00 64.86 64.11 2k36 h ILE 34 Cb 0.43 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 2k36 h ILE 34 CO 0.01 0.10 -0.93 0.74 -0.69 0.00 0.00 178.15 177.37 2k36 h THR 35 N 0.52 1.59 -0.42 -0.27 2.02 -0.88 -3.30 112.91 112.17 2k36 h THR 35 Ca 0.19 -2.96 -0.11 0.00 0.77 0.00 0.00 66.41 64.30 2k36 h THR 35 Cb 0.13 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 2k36 h THR 35 CO -0.05 0.85 -0.18 -0.25 0.37 0.00 0.00 175.52 176.26 2k36 h TRP 36 N 0.04 0.99 -0.94 3.16 7.01 0.23 -0.95 115.95 125.49 2k36 h TRP 36 Ca -0.03 -0.24 0.25 0.00 2.11 0.00 0.00 58.89 60.98 2k36 h TRP 36 Cb 1.61 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 28.39 2k36 h TRP 36 CO 0.01 1.01 0.65 0.00 -2.79 0.00 0.00 178.44 177.33 2k36 h ARG 37 N 0.68 0.13 0.14 2.65 2.47 -0.61 -1.34 114.38 118.50 2k36 h ARG 37 Ca 0.10 -0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.58 2k36 h ARG 37 Cb 0.74 -0.03 0.02 0.00 -1.65 0.00 0.00 29.97 29.05 2k36 h ARG 37 CO 0.06 0.09 -1.04 -0.97 0.56 0.00 0.00 179.97 178.67 2k36 h ASN 38 N 0.14 0.47 -0.26 7.04 -0.73 -1.34 -3.34 115.58 117.56 2k36 h ASN 38 Ca 0.47 -0.92 -0.02 0.00 1.87 0.00 0.00 56.30 57.70 2k36 h ASN 38 Cb 1.61 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 40.03 2k36 h ASN 38 CO -0.08 1.48 0.11 0.45 -0.37 0.00 0.00 177.43 179.02 2k36 h HIS 39 N -0.32 0.44 -0.06 0.67 3.86 -0.13 0.96 115.15 120.58 2k36 h HIS 39 Ca -0.20 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.01 2k36 h HIS 39 Cb 1.71 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 30.04 2k36 h HIS 39 CO 0.17 0.37 0.04 0.28 0.86 0.00 0.00 177.93 179.65 2k36 h VAL 40 N 0.45 0.85 0.00 2.45 2.07 -1.50 -2.90 116.25 117.67 2k36 h VAL 40 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2k36 h VAL 40 Cb 0.12 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2k36 h VAL 40 CO -0.01 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 177.80 2k36 h ILE 41 N 0.00 0.00 -0.56 4.57 1.08 -0.98 -0.00 117.51 121.62 2k36 h ILE 41 Ca 0.03 -0.60 0.11 0.00 -0.39 0.00 0.00 64.86 64.00 2k36 h ILE 41 Cb 0.12 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.75 2k36 h ILE 41 CO -0.00 0.00 -0.22 -0.37 -0.69 0.00 0.00 178.15 176.87 2k36 h VAL 42 N -0.60 0.31 -0.00 1.67 -1.51 -1.42 -1.12 116.25 113.57 2k36 h VAL 42 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2k36 h VAL 42 Cb 0.18 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 2k36 h VAL 42 CO 0.00 0.00 -0.56 0.49 -1.23 0.00 0.00 177.57 176.27 2k36 n PHE 43 N -5.43 0.00 -3.50 5.19 3.01 -1.09 -4.84 117.46 110.80 2k36 n PHE 43 Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.31 2k36 n PHE 43 Cb 0.33 -0.12 0.06 0.00 -0.01 0.00 0.00 39.48 39.74 2k36 n PHE 43 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k36 n ASN 44 N -1.07 -4.00 0.00 4.37 2.85 -0.43 -4.75 115.26 112.22 2k36 n ASN 44 Ca 0.07 -0.79 0.00 0.00 -0.11 0.00 0.00 54.58 53.75 2k36 n ASN 44 Cb 0.36 -4.50 0.00 0.00 1.24 0.00 0.00 39.78 36.88 2k36 n ASN 44 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2k36 n LYS 45 N -3.88 3.56 -4.11 1.20 5.02 -0.06 -4.96 118.16 114.94 2k36 n LYS 45 Ca -0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.97 2k36 n LYS 45 Cb 0.64 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.52 2k36 n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k36 s ASP 46 N -1.32 0.79 0.14 4.39 -1.08 -1.26 -4.94 116.67 113.39 2k36 s ASP 46 Ca 0.00 -0.37 0.12 0.00 -0.52 0.00 0.00 52.55 51.77 2k36 s ASP 46 Cb 0.00 -0.01 -0.11 0.00 -1.46 0.00 0.00 42.92 41.34 2k36 s ASP 46 CO 0.00 -0.10 1.19 -0.29 0.52 0.00 0.00 175.17 176.49 2k36 h ILE 47 N 4.69 1.13 0.00 4.11 6.09 -1.98 -3.25 117.51 128.31 2k36 h ILE 47 Ca -0.33 -2.71 0.00 0.00 -1.37 0.00 0.00 64.86 60.45 2k36 h ILE 47 Cb 1.20 2.53 0.00 0.00 0.47 0.00 0.00 36.82 41.02 2k36 h ILE 47 CO 0.44 0.65 -0.25 0.35 -3.07 0.00 0.00 178.15 176.27 2k36 n THR 48 N -3.20 0.32 -2.67 2.19 -2.24 -1.26 -4.41 114.28 103.01 2k36 n THR 48 Ca -0.03 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 2k36 n THR 48 Cb 0.87 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 2k36 n THR 48 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k36 s SER 49 N -3.91 6.81 0.01 3.42 0.15 -1.23 -4.83 113.70 114.13 2k36 s SER 49 Ca 0.10 -2.34 -0.03 0.00 0.70 0.00 0.00 55.95 54.37 2k36 s SER 49 Cb 0.15 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2k36 s SER 49 CO 0.63 -1.15 0.16 0.00 1.20 0.00 0.00 173.24 174.09 2k36 n GLY 51 N -0.12 3.14 0.22 0.00 0.00 0.11 -4.80 105.19 103.75 2k36 n GLY 51 Ca 0.00 -2.11 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 2k36 n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k36 h ARG 52 N 0.00 0.73 -0.52 1.61 2.47 -1.83 -3.05 114.38 113.78 2k36 h ARG 52 Ca 0.00 -0.44 0.10 0.00 -1.26 0.00 0.00 59.98 58.37 2k36 h ARG 52 Cb 0.00 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.28 2k36 h ARG 52 CO 0.00 1.07 0.04 1.25 0.56 0.00 0.00 179.97 182.88 2k36 h LEU 53 N 0.46 -0.15 -0.55 3.04 6.46 -1.84 -2.38 115.31 120.35 2k36 h LEU 53 Ca 0.02 0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 57.76 2k36 h LEU 53 Cb 1.01 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 2k36 h LEU 53 CO 0.09 -0.05 -0.23 1.88 -0.62 0.00 0.00 178.44 179.52 2k36 h TYR 54 N 0.16 1.05 -0.98 1.25 -1.99 -1.76 -2.82 116.97 111.88 2k36 h TYR 54 Ca 0.26 -0.25 0.21 0.00 2.00 0.00 0.00 58.73 60.95 2k36 h TYR 54 Cb 0.39 -0.25 -0.09 0.00 2.00 0.00 0.00 36.73 38.79 2k36 h TYR 54 CO -0.29 1.05 0.62 0.87 -0.00 0.00 0.00 178.16 180.41 2k36 h LYS 55 N 0.79 0.54 -0.23 4.88 1.79 -1.32 -0.70 116.57 122.31 2k36 h LYS 55 Ca 0.10 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.34 2k36 h LYS 55 Cb 0.79 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2k36 h LYS 55 CO 0.07 0.36 -0.65 1.49 -1.08 0.00 0.00 179.45 179.63 2k36 h GLU 56 N 0.55 0.84 -0.83 3.15 4.57 -1.42 -2.42 114.58 119.02 2k36 h GLU 56 Ca 0.55 -0.60 0.10 0.00 -1.18 0.00 0.00 59.36 58.23 2k36 h GLU 56 Cb 1.14 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.77 2k36 h GLU 56 CO -0.29 1.22 0.54 -0.07 -1.18 0.00 0.00 179.01 179.23 2k36 h LEU 57 N 0.62 0.69 -1.56 1.64 -0.00 -1.14 -0.91 115.31 114.65 2k36 h LEU 57 Ca -0.02 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2k36 h LEU 57 Cb 1.27 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.78 2k36 h LEU 57 CO 0.14 0.40 0.35 0.24 -0.00 0.00 0.00 178.44 179.57 2k36 h MET 58 N 0.76 0.55 0.00 1.13 2.86 -0.68 0.31 114.93 119.86 2k36 h MET 58 Ca 0.39 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 2k36 h MET 58 Cb 0.49 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2k36 h MET 58 CO -0.16 0.36 0.00 0.87 1.06 0.00 0.00 176.91 179.05 2k36 h LYS 59 N 0.57 0.00 0.00 1.72 1.57 -1.06 -1.10 116.57 118.27 2k36 h LYS 59 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2k36 h LYS 59 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2k36 h LYS 59 CO -0.06 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.01 2k36 n PHE 60 N -2.33 0.84 -0.15 -1.35 3.72 0.10 -0.97 117.46 117.32 2k36 n PHE 60 Ca 0.02 0.26 -0.12 0.00 -0.05 0.00 0.00 57.45 57.56 2k36 n PHE 60 Cb 0.24 -0.92 -0.01 0.00 -0.94 0.00 0.00 39.48 37.85 2k36 n PHE 60 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2k36 h ASP 61 N 0.00 0.97 -0.04 4.37 3.58 -1.23 -2.71 116.42 121.35 2k36 h ASP 61 Ca 0.00 -0.40 -0.17 0.00 0.42 0.00 0.00 57.03 56.88 2k36 h ASP 61 Cb 0.65 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.44 2k36 h ASP 61 CO 0.00 1.15 -0.65 -0.78 -2.88 0.00 0.00 179.24 176.08 2k36 h ASP 62 N 0.78 0.65 -0.50 2.28 1.82 -1.41 0.29 116.42 120.34 2k36 h ASP 62 Ca 0.10 -0.71 -0.01 0.00 -0.39 0.00 0.00 57.03 56.03 2k36 h ASP 62 Cb 0.78 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.57 2k36 h ASP 62 CO 0.06 1.27 0.29 1.62 -1.61 0.00 0.00 179.24 180.87 2k36 h VAL 63 N 0.09 1.16 -0.11 2.25 3.04 -1.12 0.53 116.25 122.09 2k36 h VAL 63 Ca -0.07 -0.38 -0.14 0.00 -1.01 0.00 0.00 66.70 65.11 2k36 h VAL 63 Cb 1.33 0.45 0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2k36 h VAL 63 CO 0.13 0.17 -0.47 0.00 -1.01 0.00 0.00 177.57 176.39 2k36 h ALA 64 N 1.61 0.20 -0.67 3.17 0.00 -1.29 0.93 119.26 123.22 2k36 h ALA 64 Ca 0.18 -0.49 0.09 0.00 0.00 0.00 0.00 54.91 54.69 2k36 h ALA 64 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2k36 h ALA 64 CO -0.03 0.36 0.44 0.82 0.00 0.00 0.00 179.25 180.84 2k36 h ILE 65 N 0.10 0.93 -0.20 0.00 2.04 -0.07 0.48 117.51 120.79 2k36 h ILE 65 Ca -0.03 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 2k36 h ILE 65 Cb 1.11 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2k36 h ILE 65 CO 0.10 0.10 -0.45 -0.09 0.00 0.00 0.00 178.15 177.81 2k36 h ARG 66 N 0.55 0.66 0.00 2.37 2.43 0.15 -2.61 114.38 117.94 2k36 h ARG 66 Ca 0.31 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2k36 h ARG 66 Cb 0.47 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2k36 h ARG 66 CO -0.10 1.06 0.00 0.98 -1.51 0.00 0.00 179.97 180.40 2k36 n TYR 67 N -4.19 0.00 -0.10 2.20 4.19 0.31 -4.41 117.16 115.16 2k36 n TYR 67 Ca -0.06 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.03 2k36 n TYR 67 Cb 0.56 -0.35 -0.00 0.00 0.49 0.00 0.00 39.34 40.04 2k36 n TYR 67 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2k36 h TYR 68 N 0.00 1.05 0.00 2.98 0.05 -0.31 -3.49 116.97 117.24 2k36 h TYR 68 Ca 0.00 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.46 2k36 h TYR 68 Cb 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.52 2k36 h TYR 68 CO 0.00 1.13 0.00 0.41 -1.05 0.00 0.00 178.16 178.65 2k36 n GLY 69 N 0.14 2.63 0.23 3.88 0.00 -0.82 -4.43 105.19 106.83 2k36 n GLY 69 Ca -0.02 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 2k36 n GLY 69 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2k36 h ILE 70 N 0.00 1.04 0.13 -0.61 6.09 -1.81 0.28 117.51 122.63 2k36 h ILE 70 Ca 0.00 -0.23 0.01 0.00 -1.37 0.00 0.00 64.86 63.28 2k36 h ILE 70 Cb 0.00 0.33 -0.02 0.00 0.47 0.00 0.00 36.82 37.59 2k36 h ILE 70 CO 0.00 0.12 -0.20 -0.78 -3.07 0.00 0.00 178.15 174.22 2k36 h ASP 71 N 0.66 -0.57 -0.58 2.19 3.58 -1.91 0.28 116.42 120.07 2k36 h ASP 71 Ca 0.23 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.68 2k36 h ASP 71 Cb 0.05 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2k36 h ASP 71 CO -0.11 -0.29 0.11 0.11 -2.88 0.00 0.00 179.24 176.18 2k36 h LYS 72 N -0.40 0.94 -0.24 0.28 1.79 -1.67 -1.00 116.57 116.26 2k36 h LYS 72 Ca 0.02 -0.24 0.01 0.00 -2.18 0.00 0.00 60.65 58.26 2k36 h LYS 72 Cb 0.41 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 2k36 h LYS 72 CO -0.10 0.89 0.14 0.82 -1.08 0.00 0.00 179.45 180.12 2k36 h ILE 73 N 0.84 1.03 -0.52 1.86 2.04 -0.15 0.55 117.51 123.16 2k36 h ILE 73 Ca 0.18 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 66.00 2k36 h ILE 73 Cb 0.39 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2k36 h ILE 73 CO 0.01 0.05 0.21 0.78 0.00 0.00 0.00 178.15 179.21 2k36 h ASN 74 N 0.30 0.25 -0.25 1.72 2.35 -0.09 0.56 115.58 120.42 2k36 h ASN 74 Ca 0.09 0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.72 2k36 h ASN 74 Cb -0.01 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2k36 h ASN 74 CO -0.04 0.17 -0.54 -0.33 -1.65 0.00 0.00 177.43 175.05 2k36 h GLU 75 N 0.41 0.84 0.12 0.81 5.08 -0.78 -3.18 114.58 117.89 2k36 h GLU 75 Ca 0.25 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2k36 h GLU 75 Cb 0.24 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k36 h GLU 75 CO -0.23 1.16 -0.06 0.82 -1.00 0.00 0.00 179.01 179.71 2k36 h ILE 76 N 0.65 1.06 -0.37 3.13 5.03 0.74 -2.39 117.51 125.36 2k36 h ILE 76 Ca 0.02 -0.81 0.08 0.00 -0.12 0.00 0.00 64.86 64.03 2k36 h ILE 76 Cb 1.14 1.56 -0.08 0.00 -3.03 0.00 0.00 36.82 36.40 2k36 h ILE 76 CO 0.12 0.19 -0.17 1.62 -0.68 0.00 0.00 178.15 179.23 2k36 h VAL 77 N -0.55 0.48 -1.00 1.67 3.04 0.02 -0.04 116.25 119.88 2k36 h VAL 77 Ca -0.02 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.76 2k36 h VAL 77 Cb 0.44 0.48 -0.07 0.00 -2.01 0.00 0.00 31.29 30.12 2k36 h VAL 77 CO 0.03 0.00 0.64 -0.33 -1.01 0.00 0.00 177.57 176.89 2k36 h GLU 78 N -0.10 1.08 0.03 4.17 5.08 -1.59 -2.53 114.58 120.71 2k36 h GLU 78 Ca 0.18 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2k36 h GLU 78 Cb 0.38 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2k36 h GLU 78 CO -0.44 0.71 -0.02 0.00 -1.00 0.00 0.00 179.01 178.27 2k36 h ALA 79 N 1.48 -0.05 -1.24 3.43 0.00 -0.51 -1.88 119.26 120.49 2k36 h ALA 79 Ca 0.45 -0.05 0.37 0.00 0.00 0.00 0.00 54.91 55.68 2k36 h ALA 79 Cb 0.27 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 2k36 h ALA 79 CO -0.20 -0.49 0.83 0.52 0.00 0.00 0.00 179.25 179.91 2k36 h MET 80 N -0.12 0.17 0.00 0.00 2.86 -0.80 0.27 114.93 117.31 2k36 h MET 80 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k36 h MET 80 Cb 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2k36 h MET 80 CO 0.01 0.11 0.00 0.77 1.06 0.00 0.00 176.91 178.86 2k36 h SER 81 N 0.17 0.00 1.18 1.22 0.02 -1.07 -2.54 113.55 112.54 2k36 h SER 81 Ca 0.70 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.57 2k36 h SER 81 Cb 2.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.74 2k36 h SER 81 CO -0.26 0.00 -0.85 -0.33 -1.14 0.00 0.00 176.83 174.24 2k36 h GLU 82 N 0.00 0.00 0.00 3.45 4.39 -0.28 -3.21 114.58 118.93 2k36 h GLU 82 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k36 h GLU 82 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2k36 h GLU 82 CO 0.00 0.21 0.00 0.41 -1.16 0.00 0.00 179.01 178.47 2k36 n GLY 83 N 1.25 0.91 2.80 -3.84 0.00 -0.89 -5.00 105.19 100.41 2k36 n GLY 83 Ca -0.02 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 2k36 n GLY 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k36 s ASP 84 N -2.03 1.09 0.25 1.61 -1.08 -1.15 -5.02 116.67 110.33 2k36 s ASP 84 Ca 0.00 -0.06 -0.12 0.00 -0.52 0.00 0.00 52.55 51.85 2k36 s ASP 84 Cb 0.00 -0.35 0.05 0.00 -1.46 0.00 0.00 42.92 41.16 2k36 s ASP 84 CO 0.00 -0.15 0.64 0.00 0.52 0.00 0.00 175.17 176.18 2k36 n HIS 85 N 4.66 -1.78 0.00 -5.34 1.44 -1.26 -4.04 115.22 108.90 2k36 n HIS 85 Ca -0.16 -1.26 0.00 0.00 -2.01 0.00 0.00 57.72 54.30 2k36 n HIS 85 Cb 0.50 0.63 0.00 0.00 0.12 0.00 0.00 29.99 31.24 2k36 n HIS 85 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 2k36 n TYR 86 N -0.43 0.00 -0.48 -1.40 0.18 -1.26 -5.11 117.16 108.66 2k36 n TYR 86 Ca -0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.73 2k36 n TYR 86 Cb 0.44 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.40 2k36 n TYR 86 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 2k36 n ILE 87 N 0.00 -2.28 -4.34 -3.48 -0.00 -1.26 -5.04 119.36 102.97 2k36 n ILE 87 Ca 0.00 0.71 -0.30 0.00 -0.00 0.00 0.00 62.75 63.16 2k36 n ILE 87 Cb 0.00 -1.13 -0.10 0.00 -0.00 0.00 0.00 39.64 38.41 2k36 n ILE 87 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2k36 s ASN 88 N -2.16 4.36 -0.60 4.38 3.84 -1.26 -5.08 114.94 118.41 2k36 s ASN 88 Ca 0.00 -0.34 -0.22 0.00 0.21 0.00 0.00 52.86 52.50 2k36 s ASN 88 Cb 0.00 -0.85 0.06 0.00 -0.55 0.00 0.00 41.25 39.91 2k36 s ASN 88 CO 0.00 0.21 0.90 -0.36 -2.79 0.00 0.00 177.10 175.07 2k36 s PHE 89 N -1.13 2.77 -0.23 0.43 0.08 -1.26 -5.01 117.98 113.64 2k36 s PHE 89 Ca 0.19 -0.40 -0.28 0.00 0.12 0.00 0.00 56.93 56.56 2k36 s PHE 89 Cb -0.11 -4.12 0.01 0.00 -0.57 0.00 0.00 43.02 38.22 2k36 s PHE 89 CO 0.11 -1.47 0.98 0.95 -0.10 0.00 0.00 175.22 175.70 2k36 s THR 90 N 3.79 4.72 0.09 0.64 -4.23 -1.26 -4.84 115.64 114.56 2k36 s THR 90 Ca 0.23 1.91 0.00 0.00 -1.18 0.00 0.00 61.69 62.65 2k36 s THR 90 Cb -0.16 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.42 2k36 s THR 90 CO 0.13 -0.15 0.00 1.17 -0.54 0.00 0.00 174.62 175.23 2k36 n LYS 91 N 6.20 0.00 -1.05 3.99 4.81 -1.26 -4.77 118.16 126.09 2k36 n LYS 91 Ca 0.10 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.40 2k36 n LYS 91 Cb 0.46 -0.08 -0.16 0.00 0.02 0.00 0.00 35.03 35.27 2k36 n LYS 91 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2k36 n VAL 92 N -2.90 3.05 0.00 3.15 0.24 -1.26 -4.31 118.33 116.30 2k36 n VAL 92 Ca 0.00 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 2k36 n VAL 92 Cb 0.00 -1.98 0.00 0.00 -1.47 0.00 0.00 33.84 30.39 2k36 n VAL 92 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2k36 n HIS 93 N 2.39 0.00 -3.72 6.34 8.25 -1.26 -5.16 115.22 122.06 2k36 n HIS 93 Ca 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.81 2k36 n HIS 93 Cb 0.88 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 2k36 n HIS 93 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2k36 s ASP 94 N 1.00 -0.29 0.44 0.41 -1.08 -1.26 -5.02 116.67 110.86 2k36 s ASP 94 Ca 0.00 -0.45 0.13 0.00 -0.52 0.00 0.00 52.55 51.71 2k36 s ASP 94 Cb 0.00 0.60 1.02 0.00 -1.46 0.00 0.00 42.92 43.08 2k36 s ASP 94 CO 0.00 -1.08 2.00 -0.61 0.52 0.00 0.00 175.17 176.00 2k36 h GLN 95 N 2.16 0.40 -0.38 4.34 4.15 -1.98 -0.95 115.11 122.84 2k36 h GLN 95 Ca -0.28 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.09 2k36 h GLN 95 Cb 1.27 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 2k36 h GLN 95 CO 0.36 0.26 0.12 1.49 -1.93 0.00 0.00 178.83 179.13 2k36 h GLU 96 N 0.41 0.55 -0.05 1.69 4.81 -1.99 0.18 114.58 120.18 2k36 h GLU 96 Ca 0.25 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.21 2k36 h GLU 96 Cb 0.45 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2k36 h GLU 96 CO -0.07 0.49 -0.78 0.77 -0.73 0.00 0.00 179.01 178.69 2k36 h SER 97 N 0.55 0.46 -0.50 1.04 0.02 -1.60 -0.56 113.55 112.96 2k36 h SER 97 Ca 0.13 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2k36 h SER 97 Cb 0.17 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2k36 h SER 97 CO -0.01 1.07 0.23 -0.07 -1.14 0.00 0.00 176.83 176.91 2k36 h LEU 98 N 0.24 0.66 -0.41 5.07 3.38 -0.22 -1.71 115.31 122.33 2k36 h LEU 98 Ca -0.04 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 2k36 h LEU 98 Cb 1.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k36 h LEU 98 CO 0.13 0.62 -0.49 -0.26 0.09 0.00 0.00 178.44 178.53 2k36 h PHE 99 N 0.66 0.98 -0.59 1.13 -1.00 -1.02 -3.26 116.94 113.83 2k36 h PHE 99 Ca 0.17 -0.33 0.07 0.00 2.81 0.00 0.00 57.97 60.69 2k36 h PHE 99 Cb 0.14 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 2k36 h PHE 99 CO -0.00 1.12 0.39 0.00 -1.61 0.00 0.00 178.31 178.21 2k36 h ALA 100 N 0.82 1.86 0.00 2.45 0.00 -0.63 -1.03 119.26 122.72 2k36 h ALA 100 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k36 h ALA 100 Cb 1.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k36 h ALA 100 CO 0.11 0.04 -0.26 1.79 0.00 0.00 0.00 179.25 180.93 2k36 h THR 101 N 0.54 0.78 0.16 0.00 1.35 -1.37 -1.48 112.91 112.90 2k36 h THR 101 Ca 0.26 -1.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 2k36 h THR 101 Cb 0.33 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2k36 h THR 101 CO -0.08 0.25 -0.08 0.40 -0.25 0.00 0.00 175.52 175.77 2k36 h ILE 102 N 0.00 0.81 -0.57 6.82 5.03 -1.32 -3.08 117.51 125.20 2k36 h ILE 102 Ca -0.00 -1.13 -0.08 0.00 -0.12 0.00 0.00 64.86 63.53 2k36 h ILE 102 Cb 0.63 1.36 -0.02 0.00 -3.03 0.00 0.00 36.82 35.76 2k36 h ILE 102 CO 0.03 0.21 0.02 1.23 -0.68 0.00 0.00 178.15 178.97 2k36 h GLY 103 N -0.88 1.04 0.88 5.37 0.00 -1.39 0.12 103.07 108.21 2k36 h GLY 103 Ca -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 47.33 46.62 2k36 h GLY 103 CO 0.04 0.66 0.44 1.19 0.00 0.00 0.00 176.54 178.87 2k36 h ILE 104 N 0.89 1.10 0.00 2.60 6.09 -1.41 -0.22 117.51 126.56 2k36 h ILE 104 Ca 0.17 -0.29 -0.07 0.00 -1.37 0.00 0.00 64.86 63.30 2k36 h ILE 104 Cb 0.49 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 37.94 2k36 h ILE 104 CO 0.02 0.16 -0.33 0.00 -3.07 0.00 0.00 178.15 174.93 2k36 h ALA 106 N 1.67 0.58 -0.51 0.00 0.00 0.82 -1.80 119.26 120.02 2k36 h ALA 106 Ca -0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2k36 h ALA 106 Cb 0.88 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2k36 h ALA 106 CO 0.04 0.69 0.08 0.87 0.00 0.00 0.00 179.25 180.93 2k36 h LYS 107 N 0.54 0.80 0.01 0.00 1.79 -1.04 -2.55 116.57 116.12 2k36 h LYS 107 Ca 0.01 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2k36 h LYS 107 Cb 1.13 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2k36 h LYS 107 CO 0.11 0.76 -0.00 0.82 -1.08 0.00 0.00 179.45 180.06 2k36 h ILE 108 N 0.76 1.24 -0.42 1.86 2.04 -1.45 -2.81 117.51 118.74 2k36 h ILE 108 Ca 0.16 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 2k36 h ILE 108 Cb 0.35 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 2k36 h ILE 108 CO 0.01 0.19 0.06 0.00 0.00 0.00 0.00 178.15 178.40 2k36 h THR 109 N -0.33 1.21 -0.03 -0.27 1.03 -1.24 -2.87 112.91 110.41 2k36 h THR 109 Ca -0.00 -0.78 -0.20 0.00 -0.01 0.00 0.00 66.41 65.41 2k36 h THR 109 Cb 0.32 0.83 -0.00 0.00 -1.07 0.00 0.00 68.15 68.23 2k36 h THR 109 CO 0.00 0.28 -0.84 1.05 -0.01 0.00 0.00 175.52 176.00 2k36 h GLU 110 N 0.62 0.37 -0.61 0.00 4.11 -1.49 -3.24 114.58 114.33 2k36 h GLU 110 Ca 0.14 -0.36 0.09 0.00 0.07 0.00 0.00 59.36 59.30 2k36 h GLU 110 Cb 0.31 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 2k36 h GLU 110 CO 0.00 1.02 0.25 1.25 0.07 0.00 0.00 179.01 181.61 2k36 h HIS 111 N 0.23 0.45 0.00 2.06 2.76 -1.26 -1.68 115.15 117.71 2k36 h HIS 111 Ca -0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2k36 h HIS 111 Cb 1.45 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.31 2k36 h HIS 111 CO 0.05 0.14 0.00 -1.49 -1.30 0.00 0.00 177.93 175.33 2k36 h TRP 112 N 0.45 0.00 0.44 5.26 6.55 -1.58 -3.31 115.95 123.77 2k36 h TRP 112 Ca 0.30 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.13 2k36 h TRP 112 Cb 0.34 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.62 2k36 h TRP 112 CO -0.15 0.00 -0.43 0.78 -1.05 0.00 0.00 178.44 177.59 2k36 h GLY 113 N 0.00 -1.05 0.52 1.49 0.00 -1.44 0.14 103.07 102.73 2k36 h GLY 113 Ca 0.00 0.50 0.06 0.00 0.00 0.00 0.00 47.33 47.89 2k36 h GLY 113 CO 0.00 -0.34 0.06 -0.97 0.00 0.00 0.00 176.54 175.29 2k36 h TYR 114 N -0.89 0.10 -0.22 5.60 0.05 -1.78 -2.30 116.97 117.53 2k36 h TYR 114 Ca -0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2k36 h TYR 114 Cb 0.78 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.53 2k36 h TYR 114 CO -0.23 0.00 0.00 0.36 -1.05 0.00 0.00 178.16 177.25 2k36 n LYS 115 N -5.11 2.29 -2.84 4.88 2.85 -1.25 -4.91 118.16 114.07 2k36 n LYS 115 Ca 0.02 -1.75 -0.07 0.00 -1.05 0.00 0.00 58.31 55.46 2k36 n LYS 115 Cb 0.17 -1.21 0.01 0.00 -0.65 0.00 0.00 35.03 33.35 2k36 n LYS 115 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2k36 n LYS 116 N 0.38 -2.59 -3.94 -1.58 5.02 0.34 -5.02 118.16 110.77 2k36 n LYS 116 Ca 0.09 2.24 -0.23 0.00 -2.02 0.00 0.00 58.31 58.39 2k36 n LYS 116 Cb 0.36 -5.56 -0.02 0.00 -0.02 0.00 0.00 35.03 29.79 2k36 n LYS 116 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k36 s ILE 117 N -2.40 5.28 0.00 -0.18 1.01 -0.28 -4.45 121.20 120.18 2k36 s ILE 117 Ca 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2k36 s ILE 117 Cb -0.06 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2k36 s ILE 117 CO 0.77 -0.25 0.00 -0.24 0.00 0.00 0.00 174.94 175.23 2k36 n SER 118 N -1.09 -0.01 0.00 3.58 2.88 -1.21 -4.44 113.62 113.33 2k36 n SER 118 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2k36 n SER 118 Cb 0.56 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2k36 n SER 118 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k36 n GLU 119 N -2.00 0.00 -2.11 -1.46 2.13 -1.26 -4.82 120.64 111.11 2k36 n GLU 119 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 2k36 n GLU 119 Cb 0.00 -0.15 -0.06 0.00 0.27 0.00 0.00 31.44 31.51 2k36 n GLU 119 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k36 s SER 120 N 0.00 5.18 -1.30 4.31 0.01 -1.26 -4.87 113.70 115.78 2k36 s SER 120 Ca 0.00 -1.67 -0.17 0.00 1.31 0.00 0.00 55.95 55.43 2k36 s SER 120 Cb 0.00 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.73 2k36 s SER 120 CO 0.00 -2.91 1.74 0.54 0.41 0.00 0.00 173.24 173.02 2k36 n ARG 121 N 8.33 3.21 -0.72 12.44 1.74 -1.26 -4.23 116.66 136.16 2k36 n ARG 121 Ca 0.45 -3.32 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 2k36 n ARG 121 Cb 0.47 -3.38 0.00 0.00 -1.02 0.00 0.00 32.46 28.53 2k36 n ARG 121 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2k36 n PHE 122 N 7.54 0.00 -0.05 -1.55 3.72 -1.26 -4.81 117.46 121.04 2k36 n PHE 122 Ca 0.47 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.82 2k36 n PHE 122 Cb 0.44 -1.01 0.16 0.00 -0.94 0.00 0.00 39.48 38.13 2k36 n PHE 122 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2k36 h GLN 123 N 0.96 0.67 -0.24 -1.08 4.20 -1.93 -2.12 115.11 115.56 2k36 h GLN 123 Ca 0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2k36 h GLN 123 Cb 0.09 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2k36 h GLN 123 CO 0.00 0.79 0.00 0.43 -0.67 0.00 0.00 178.83 179.38 2k36 n SER 124 N -4.16 2.04 0.00 1.46 7.64 -1.26 -4.95 113.62 114.40 2k36 n SER 124 Ca 0.01 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.08 2k36 n SER 124 Cb 0.37 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2k36 n SER 124 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k36 n LEU 125 N 0.58 0.00 0.00 -3.43 4.32 -0.80 -4.06 117.00 113.61 2k36 n LEU 125 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 2k36 n LEU 125 Cb 0.38 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2k36 n LEU 125 CO 0.13 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.91 2k36 n GLY 126 N 0.00 2.67 2.74 -0.72 0.00 -1.26 -4.88 105.19 103.74 2k36 n GLY 126 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 2k36 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k36 n ASN 127 N 0.00 -5.95 0.09 1.61 3.02 -1.26 -4.89 115.26 107.89 2k36 n ASN 127 Ca 0.00 -0.17 -0.06 0.00 -0.03 0.00 0.00 54.58 54.31 2k36 n ASN 127 Cb 0.00 -4.84 0.06 0.00 -0.61 0.00 0.00 39.78 34.39 2k36 n ASN 127 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 2k36 h ILE 128 N -0.80 1.45 0.00 2.41 -0.00 -1.94 -2.44 117.51 116.19 2k36 h ILE 128 Ca -0.50 -2.34 -0.03 0.00 -0.00 0.00 0.00 64.86 61.99 2k36 h ILE 128 Cb 1.36 2.26 -0.00 0.00 -0.00 0.00 0.00 36.82 40.43 2k36 h ILE 128 CO 0.56 0.68 -0.16 0.71 -0.00 0.00 0.00 178.15 179.94 2k36 h THR 129 N 0.12 0.54 0.00 0.16 1.35 -1.90 -2.08 112.91 111.10 2k36 h THR 129 Ca -0.02 -0.79 -0.09 0.00 -0.55 0.00 0.00 66.41 64.96 2k36 h THR 129 Cb 1.31 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 2k36 h THR 129 CO 0.11 0.16 -0.44 0.44 -0.25 0.00 0.00 175.52 175.55 2k36 h ASP 130 N 0.00 0.00 1.27 5.36 5.19 -1.83 -3.21 116.42 123.19 2k36 h ASP 130 Ca -0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 2k36 h ASP 130 Cb 0.52 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 2k36 h ASP 130 CO 0.02 0.44 -0.77 0.25 -3.12 0.00 0.00 179.24 176.06 2k36 h LEU 131 N 0.00 0.00 0.00 1.55 6.46 -1.00 -3.45 115.31 118.86 2k36 h LEU 131 Ca -0.00 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.41 2k36 h LEU 131 Cb 1.28 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.22 2k36 h LEU 131 CO 0.06 0.39 -0.06 1.15 -0.62 0.00 0.00 178.44 179.36 2k36 n MET 132 N -3.04 0.74 -3.56 1.25 0.00 -0.98 -5.01 117.12 106.52 2k36 n MET 132 Ca -0.01 -2.19 -0.22 0.00 0.00 0.00 0.00 57.70 55.28 2k36 n MET 132 Cb 0.71 -0.14 -0.02 0.00 0.00 0.00 0.00 33.22 33.78 2k36 n MET 132 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2k36 n THR 133 N -1.85 0.00 0.03 3.17 -2.24 -1.26 -4.90 114.28 107.23 2k36 n THR 133 Ca 0.10 -1.69 -0.08 0.00 -2.27 0.00 0.00 64.05 60.12 2k36 n THR 133 Cb 0.42 0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.59 2k36 n THR 133 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2k36 h ASP 134 N 0.67 0.01 1.46 3.42 2.03 -2.01 -3.16 116.42 118.83 2k36 h ASP 134 Ca -0.28 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2k36 h ASP 134 Cb 0.95 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.44 2k36 h ASP 134 CO 0.46 1.01 0.00 -0.78 -1.03 0.00 0.00 179.24 178.89 2k36 h ASP 135 N 0.00 0.00 0.78 4.15 3.58 -2.00 -2.71 116.42 120.22 2k36 h ASP 135 Ca -0.11 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.19 2k36 h ASP 135 Cb 1.86 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.89 2k36 h ASP 135 CO 0.11 0.00 -0.74 -1.13 -2.88 0.00 0.00 179.24 174.60 2k36 h ASN 136 N 0.00 0.00 -0.88 2.28 -0.73 -1.94 -1.09 115.58 113.21 2k36 h ASN 136 Ca 0.00 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.19 2k36 h ASN 136 Cb 0.73 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.27 2k36 h ASN 136 CO 0.00 0.74 0.58 0.40 -0.37 0.00 0.00 177.43 178.78 2k36 h ILE 137 N 0.00 1.18 -0.23 2.57 5.03 -1.58 0.22 117.51 124.70 2k36 h ILE 137 Ca -0.01 -0.40 -0.09 0.00 -0.12 0.00 0.00 64.86 64.25 2k36 h ILE 137 Cb 1.33 -0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 35.05 2k36 h ILE 137 CO 0.10 0.21 -0.19 0.78 -0.68 0.00 0.00 178.15 178.36 2k36 h ASN 138 N 1.15 0.57 -0.87 1.72 2.35 -1.35 -1.53 115.58 117.63 2k36 h ASN 138 Ca 0.34 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2k36 h ASN 138 Cb -0.07 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 2k36 h ASN 138 CO -0.09 0.91 0.51 0.40 -1.65 0.00 0.00 177.43 177.50 2k36 h ILE 139 N 0.24 1.24 0.15 2.81 2.04 -0.85 -1.15 117.51 121.99 2k36 h ILE 139 Ca 0.04 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2k36 h ILE 139 Cb 0.73 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2k36 h ILE 139 CO 0.05 0.26 -0.07 0.25 0.00 0.00 0.00 178.15 178.64 2k36 h LEU 140 N 1.20 -0.17 -0.66 1.44 7.12 -0.45 0.51 115.31 124.29 2k36 h LEU 140 Ca 0.31 -0.12 0.13 0.00 0.13 0.00 0.00 57.88 58.33 2k36 h LEU 140 Cb -0.03 0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 40.06 2k36 h LEU 140 CO -0.06 0.01 0.18 0.40 -0.13 0.00 0.00 178.44 178.85 2k36 h ILE 141 N -0.35 0.63 -0.03 4.05 1.08 -0.94 0.67 117.51 122.61 2k36 h ILE 141 Ca -0.02 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2k36 h ILE 141 Cb 0.28 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 2k36 h ILE 141 CO 0.03 0.06 0.00 -0.07 -0.69 0.00 0.00 178.15 177.48 2k36 h LEU 142 N 0.31 0.06 -0.46 1.44 4.07 -0.69 0.34 115.31 120.38 2k36 h LEU 142 Ca 0.36 -0.30 0.03 0.00 0.08 0.00 0.00 57.88 58.05 2k36 h LEU 142 Cb 0.54 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 2k36 h LEU 142 CO -0.42 0.34 0.25 0.15 -1.08 0.00 0.00 178.44 177.68 2k36 h PHE 143 N -0.23 0.45 -0.50 1.13 3.57 0.44 -2.42 116.94 119.39 2k36 h PHE 143 Ca 0.01 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2k36 h PHE 143 Cb 0.31 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2k36 h PHE 143 CO 0.03 0.24 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.17 2k36 h LEU 144 N 0.49 0.97 -1.95 0.59 3.38 -0.75 -3.15 115.31 114.89 2k36 h LEU 144 Ca 0.19 -0.36 0.25 0.00 0.09 0.00 0.00 57.88 58.05 2k36 h LEU 144 Cb 0.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2k36 h LEU 144 CO -0.12 1.10 0.62 -0.33 0.09 0.00 0.00 178.44 179.81 2k36 h GLU 145 N 0.83 0.04 -0.75 1.13 5.08 0.19 1.01 114.58 122.11 2k36 h GLU 145 Ca 0.13 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 2k36 h GLU 145 Cb 0.68 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2k36 h GLU 145 CO 0.05 0.02 0.49 0.87 -1.00 0.00 0.00 179.01 179.45 2k36 h LYS 146 N 0.04 0.64 0.00 2.33 1.57 -1.49 -3.00 116.57 116.66 2k36 h LYS 146 Ca 0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2k36 h LYS 146 Cb 1.61 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.77 2k36 h LYS 146 CO -0.02 0.42 -0.49 1.63 -0.57 0.00 0.00 179.45 180.42 2k36 n LYS 147 N -4.50 3.97 -2.71 3.15 5.02 0.13 -5.02 118.16 118.20 2k36 n LYS 147 Ca 0.13 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.19 2k36 n LYS 147 Cb 0.34 -0.79 0.07 0.00 -0.02 0.00 0.00 35.03 34.62 2k36 n LYS 147 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k36 s LEU 148 N -2.51 3.13 0.00 -0.35 1.43 0.31 -5.04 118.68 115.65 2k36 s LEU 148 Ca 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2k36 s LEU 148 Cb 0.02 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2k36 s LEU 148 CO 0.13 -1.48 0.00 -3.20 0.23 0.00 0.00 176.35 172.03