#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 -1.29 -0.68 3.04 0.00 -1.26 -5.10 121.76 116.47 2k36 s ALA 2 Ca 0.00 1.46 -0.13 0.00 0.00 0.00 0.00 51.96 53.29 2k36 s ALA 2 Cb 0.00 -1.50 0.17 0.00 0.00 0.00 0.00 23.12 21.80 2k36 s ALA 2 CO 0.00 -0.92 0.61 0.99 0.00 0.00 0.00 175.76 176.44 2k36 s THR 3 N 2.64 5.20 -0.29 0.00 2.01 -1.26 -4.98 115.64 118.96 2k36 s THR 3 Ca 0.03 -2.11 -0.15 0.00 0.31 0.00 0.00 61.69 59.77 2k36 s THR 3 Cb -0.13 -4.28 0.13 0.00 0.01 0.00 0.00 72.50 68.23 2k36 s THR 3 CO -0.14 -0.94 0.85 -0.75 -0.69 0.00 0.00 174.62 172.95 2k36 s LYS 4 N 0.76 0.48 0.38 4.92 2.20 -1.26 -5.15 119.74 122.08 2k36 s LYS 4 Ca 0.11 0.95 -0.27 0.00 -0.36 0.00 0.00 55.97 56.40 2k36 s LYS 4 Cb -0.19 0.28 -0.10 0.00 -1.51 0.00 0.00 37.83 36.31 2k36 s LYS 4 CO -0.04 -0.12 1.36 -1.17 -0.36 0.00 0.00 175.35 175.03 2k36 s LEU 5 N 1.86 4.29 -0.94 5.43 2.96 -1.26 -4.92 118.68 126.10 2k36 s LEU 5 Ca -0.08 2.80 -0.24 0.00 -0.22 0.00 0.00 54.13 56.39 2k36 s LEU 5 Cb -0.06 -3.77 0.03 0.00 0.50 0.00 0.00 46.19 42.89 2k36 s LEU 5 CO -0.17 -0.80 1.47 1.51 -1.32 0.00 0.00 176.35 177.04 2k36 s ASP 6 N -0.49 6.26 0.57 3.68 -4.77 -1.26 -4.96 116.67 115.70 2k36 s ASP 6 Ca 0.54 -1.11 -0.17 0.00 -3.30 0.00 0.00 52.55 48.51 2k36 s ASP 6 Cb -0.41 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 38.80 2k36 s ASP 6 CO 0.55 -1.72 1.05 -0.31 0.70 0.00 0.00 175.17 175.43 2k36 s TYR 7 N 5.74 3.04 0.00 2.11 2.02 -1.24 -4.98 117.35 124.05 2k36 s TYR 7 Ca 0.47 1.52 0.00 0.00 -0.37 0.00 0.00 57.07 58.68 2k36 s TYR 7 Cb -0.03 -2.99 0.00 0.00 -0.40 0.00 0.00 41.96 38.54 2k36 s TYR 7 CO -0.03 -0.98 0.00 0.39 -1.57 0.00 0.00 175.55 173.36 2k36 n GLU 8 N -1.80 0.00 -3.70 -0.62 1.02 -1.26 -4.39 120.64 109.90 2k36 n GLU 8 Ca 0.09 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 2k36 n GLU 8 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.94 2k36 n GLU 8 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k36 n ASP 9 N -2.29 -3.71 -4.52 1.62 9.92 -1.26 -4.72 116.55 111.59 2k36 n ASP 9 Ca 0.00 -0.63 -0.13 0.00 -0.53 0.00 0.00 54.79 53.51 2k36 n ASP 9 Cb 0.00 -3.04 -0.10 0.00 -0.64 0.00 0.00 41.12 37.34 2k36 n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k36 n ALA 10 N -3.92 0.29 -0.09 2.24 0.00 -1.26 -4.69 120.51 113.07 2k36 n ALA 10 Ca 0.02 -1.82 -0.13 0.00 0.00 0.00 0.00 53.44 51.52 2k36 n ALA 10 Cb 0.52 -3.07 -0.04 0.00 0.00 0.00 0.00 19.45 16.86 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 7.05 1.30 -2.92 0.00 3.04 -2.01 -3.45 116.25 119.25 2k36 h VAL 11 Ca 0.00 -1.42 -0.59 0.00 -1.01 0.00 0.00 66.70 63.69 2k36 h VAL 11 Cb 1.01 1.57 0.12 0.00 -2.01 0.00 0.00 31.29 31.98 2k36 h VAL 11 CO 1.03 0.45 0.21 2.22 -1.01 0.00 0.00 177.57 180.47 2k36 n PHE 12 N -4.29 1.37 -0.11 3.17 1.16 -1.26 -4.94 117.46 112.56 2k36 n PHE 12 Ca -0.04 0.60 -0.21 0.00 -1.87 0.00 0.00 57.45 55.93 2k36 n PHE 12 Cb 0.45 -2.26 -0.08 0.00 -1.61 0.00 0.00 39.48 35.97 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 -0.15 0.00 1.42 2.97 9.36 -1.26 -4.48 117.16 125.03 2k36 n TYR 13 Ca 0.09 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.45 2k36 n TYR 13 Cb 0.37 -0.80 0.65 0.00 -0.63 0.00 0.00 39.34 38.92 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 -3.76 0.00 -0.31 2.98 3.72 -1.26 -3.76 117.46 115.06 2k36 n PHE 14 Ca -0.42 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.04 2k36 n PHE 14 Cb 0.83 -0.20 0.15 0.00 -0.94 0.00 0.00 39.48 39.33 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 0.43 0.12 -0.14 -4.37 3.04 -1.97 -1.66 116.25 111.70 2k36 h VAL 15 Ca 0.00 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2k36 h VAL 15 Cb 0.34 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.72 2k36 h VAL 15 CO 0.00 0.00 -0.00 -0.67 -1.01 0.00 0.00 177.57 175.89 2k36 n ASP 16 N -5.53 3.16 -0.33 3.17 2.03 -1.25 0.46 116.55 118.27 2k36 n ASP 16 Ca 0.15 -3.06 0.13 0.00 0.52 0.00 0.00 54.79 52.54 2k36 n ASP 16 Cb 0.51 -0.49 0.32 0.00 -0.72 0.00 0.00 41.12 40.74 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 0.95 0.61 0.00 1.67 1.82 -1.42 -3.41 116.42 116.65 2k36 h ASP 17 Ca 0.00 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2k36 h ASP 17 Cb 1.24 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2k36 h ASP 17 CO 0.12 0.15 0.00 -0.67 -1.61 0.00 0.00 179.24 177.23 2k36 n ASP 18 N -4.88 0.00 -4.32 2.28 2.03 -1.26 -4.91 116.55 105.49 2k36 n ASP 18 Ca 0.23 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.35 2k36 n ASP 18 Cb 0.62 -0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.88 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 1.54 0.26 -0.67 -2.85 -1.26 -4.37 119.74 112.38 2k36 s LYS 19 Ca 0.00 -1.85 -0.30 0.00 -1.00 0.00 0.00 55.97 52.82 2k36 s LYS 19 Cb 0.00 -0.46 -0.09 0.00 -2.06 0.00 0.00 37.83 35.22 2k36 s LYS 19 CO 0.00 -0.29 1.08 -1.50 0.10 0.00 0.00 175.35 174.75 2k36 s ILE 20 N -3.57 3.61 0.00 3.79 1.10 -1.26 -4.77 121.20 120.10 2k36 s ILE 20 Ca 0.36 1.57 0.00 0.00 -0.51 0.00 0.00 60.65 62.08 2k36 s ILE 20 Cb 0.08 -4.00 0.00 0.00 0.15 0.00 0.00 42.46 38.68 2k36 s ILE 20 CO 0.15 0.36 0.00 0.00 -2.11 0.00 0.00 174.94 173.33 2k36 s SER 22 N -0.90 4.56 0.25 0.00 0.15 -1.26 -4.93 113.70 111.57 2k36 s SER 22 Ca 0.00 1.40 -0.03 0.00 0.70 0.00 0.00 55.95 58.03 2k36 s SER 22 Cb 0.00 -2.16 0.48 0.00 -1.71 0.00 0.00 66.02 62.63 2k36 s SER 22 CO 0.00 -1.94 1.77 0.03 1.20 0.00 0.00 173.24 174.30 2k36 h ARG 23 N -1.07 0.60 0.00 5.44 3.08 -1.99 -1.48 114.38 118.96 2k36 h ARG 23 Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2k36 h ARG 23 Cb 1.26 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2k36 h ARG 23 CO 0.58 0.40 0.00 -3.47 -1.07 0.00 0.00 179.97 176.41 2k36 n ASP 24 N -4.87 0.00 -0.03 7.04 2.03 -1.26 -2.32 116.55 117.13 2k36 n ASP 24 Ca 0.15 0.23 -0.02 0.00 0.52 0.00 0.00 54.79 55.67 2k36 n ASP 24 Cb 0.39 -0.38 -0.14 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.38 0.32 -0.00 1.67 2.88 -0.57 -3.60 113.62 112.95 2k36 n SER 25 Ca 0.06 0.14 0.14 0.00 -1.33 0.00 0.00 58.87 57.89 2k36 n SER 25 Cb 0.16 0.89 0.63 0.00 -0.75 0.00 0.00 64.21 65.14 2k36 n SER 25 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k36 n ILE 26 N -2.70 0.00 0.15 2.46 2.08 -0.98 -1.09 119.36 119.27 2k36 n ILE 26 Ca -0.18 -0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.01 2k36 n ILE 26 Cb 0.92 -0.44 -0.07 0.00 -0.75 0.00 0.00 39.64 39.30 2k36 n ILE 26 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2k36 h ILE 27 N 0.02 0.55 -0.01 1.39 1.08 -1.61 -3.02 117.51 115.91 2k36 h ILE 27 Ca 0.00 -0.74 -0.16 0.00 -0.39 0.00 0.00 64.86 63.57 2k36 h ILE 27 Cb 0.45 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2k36 h ILE 27 CO 0.00 0.12 -0.72 0.44 -0.69 0.00 0.00 178.15 177.29 2k36 h ASP 28 N -0.91 0.12 -0.50 1.72 3.32 -1.66 -3.31 116.42 115.20 2k36 h ASP 28 Ca -0.04 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.02 2k36 h ASP 28 Cb 0.52 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 2k36 h ASP 28 CO 0.07 0.80 -0.10 0.25 -1.72 0.00 0.00 179.24 178.55 2k36 h LEU 29 N 0.07 -0.41 -1.43 1.55 5.85 -1.13 0.14 115.31 119.94 2k36 h LEU 29 Ca -0.02 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2k36 h LEU 29 Cb 1.28 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 2k36 h LEU 29 CO 0.10 -0.15 0.36 0.40 -0.34 0.00 0.00 178.44 178.81 2k36 h ILE 30 N 0.02 1.15 -0.13 4.05 1.08 -1.62 0.51 117.51 122.58 2k36 h ILE 30 Ca 0.25 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 2k36 h ILE 30 Cb 0.38 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.46 2k36 h ILE 30 CO -0.50 0.15 -0.03 -0.78 -0.69 0.00 0.00 178.15 176.30 2k36 h ASP 31 N 0.76 0.25 -0.02 1.72 1.82 -1.06 -1.23 116.42 118.66 2k36 h ASP 31 Ca 0.20 -0.37 0.01 0.00 -0.39 0.00 0.00 57.03 56.48 2k36 h ASP 31 Cb -0.07 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 2k36 h ASP 31 CO -0.04 0.57 -0.05 -0.33 -1.61 0.00 0.00 179.24 177.78 2k36 h GLU 32 N -0.07 -0.07 0.41 0.28 4.39 0.12 -1.84 114.58 117.81 2k36 h GLU 32 Ca 0.03 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2k36 h GLU 32 Cb 0.46 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2k36 h GLU 32 CO 0.01 -0.05 -0.20 -0.92 -1.16 0.00 0.00 179.01 176.69 2k36 h TYR 33 N -0.08 -0.52 -0.77 4.33 3.20 0.02 0.76 116.97 123.91 2k36 h TYR 33 Ca 0.03 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.05 2k36 h TYR 33 Cb 0.11 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 2k36 h TYR 33 CO -0.13 -0.21 0.52 0.82 -1.64 0.00 0.00 178.16 177.52 2k36 h ILE 34 N -0.80 0.75 0.06 1.81 1.08 -1.28 0.53 117.51 119.66 2k36 h ILE 34 Ca -0.06 -0.12 -0.25 0.00 -0.39 0.00 0.00 64.86 64.05 2k36 h ILE 34 Cb 0.54 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2k36 h ILE 34 CO 0.09 0.06 -1.08 0.74 -0.69 0.00 0.00 178.15 177.28 2k36 h THR 35 N 0.34 1.45 -0.52 -0.27 2.02 -0.97 -3.23 112.91 111.74 2k36 h THR 35 Ca 0.38 -2.72 -0.11 0.00 0.77 0.00 0.00 66.41 64.73 2k36 h THR 35 Cb 0.98 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 70.04 2k36 h THR 35 CO -0.11 0.80 -0.11 -0.25 0.37 0.00 0.00 175.52 176.22 2k36 h TRP 36 N 0.15 1.12 -0.71 3.16 7.01 0.32 0.15 115.95 127.15 2k36 h TRP 36 Ca -0.10 -0.24 0.21 0.00 2.11 0.00 0.00 58.89 60.87 2k36 h TRP 36 Cb 1.75 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 28.51 2k36 h TRP 36 CO 0.06 1.05 0.51 0.00 -2.79 0.00 0.00 178.44 177.27 2k36 h ARG 37 N 0.87 0.00 0.09 2.65 2.47 -0.16 -1.31 114.38 118.98 2k36 h ARG 37 Ca 0.13 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.70 2k36 h ARG 37 Cb 0.68 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.00 2k36 h ARG 37 CO 0.05 0.00 -0.74 -0.97 0.56 0.00 0.00 179.97 178.87 2k36 h ASN 38 N 0.00 0.29 -0.73 7.04 -0.73 -1.19 -3.33 115.58 116.93 2k36 h ASN 38 Ca 0.34 -0.91 0.12 0.00 1.87 0.00 0.00 56.30 57.71 2k36 h ASN 38 Cb 1.36 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 39.81 2k36 h ASN 38 CO -0.00 1.34 0.48 0.45 -0.37 0.00 0.00 177.43 179.33 2k36 h HIS 39 N -0.58 0.58 0.00 0.67 3.86 0.29 0.32 115.15 120.29 2k36 h HIS 39 Ca -0.15 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2k36 h HIS 39 Cb 1.46 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 2k36 h HIS 39 CO 0.20 0.25 -0.01 0.28 0.86 0.00 0.00 177.93 179.52 2k36 h VAL 40 N 0.53 0.13 0.00 2.45 2.07 -1.41 -1.71 116.25 118.31 2k36 h VAL 40 Ca 0.35 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2k36 h VAL 40 Cb 0.63 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2k36 h VAL 40 CO -0.12 0.01 -0.68 -0.38 0.02 0.00 0.00 177.57 176.41 2k36 n ILE 41 N -3.26 1.07 -0.03 4.57 2.08 0.96 -1.86 119.36 122.90 2k36 n ILE 41 Ca -0.03 0.25 -0.08 0.00 0.56 0.00 0.00 62.75 63.45 2k36 n ILE 41 Cb 0.10 -2.11 -0.02 0.00 -0.75 0.00 0.00 39.64 36.86 2k36 n ILE 41 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 2k36 h VAL 42 N -0.72 0.49 0.00 1.39 -1.51 -1.16 -0.88 116.25 113.86 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 0.68 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2k36 h VAL 42 CO 0.00 0.00 -0.41 0.49 -1.23 0.00 0.00 177.57 176.42 2k36 n PHE 43 N -5.34 0.15 -3.77 5.19 3.01 -0.67 -4.87 117.46 111.16 2k36 n PHE 43 Ca -0.02 0.04 -0.30 0.00 1.01 0.00 0.00 57.45 58.18 2k36 n PHE 43 Cb 0.25 -0.41 0.03 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.66 -3.83 0.00 4.37 4.05 -0.34 -3.59 115.26 114.26 2k36 n ASN 44 Ca 0.05 -1.02 0.00 0.00 0.45 0.00 0.00 54.58 54.06 2k36 n ASN 44 Cb 0.36 -3.23 0.00 0.00 1.23 0.00 0.00 39.78 38.14 2k36 n ASN 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2k36 n LYS 45 N -4.29 2.19 -4.09 1.20 5.02 -0.78 -4.72 118.16 112.69 2k36 n LYS 45 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.00 2k36 n LYS 45 Cb 0.62 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.51 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 -1.29 0.99 0.15 4.39 -1.08 -1.26 -4.90 116.67 113.67 2k36 s ASP 46 Ca 0.00 -0.61 0.08 0.00 -0.52 0.00 0.00 52.55 51.50 2k36 s ASP 46 Cb 0.00 0.03 -0.12 0.00 -1.46 0.00 0.00 42.92 41.38 2k36 s ASP 46 CO 0.00 -0.22 1.34 -0.29 0.52 0.00 0.00 175.17 176.52 2k36 h ILE 47 N 4.30 1.66 0.00 4.11 6.09 -1.97 -3.15 117.51 128.54 2k36 h ILE 47 Ca -0.36 -3.20 0.00 0.00 -1.37 0.00 0.00 64.86 59.93 2k36 h ILE 47 Cb 1.20 2.73 0.00 0.00 0.47 0.00 0.00 36.82 41.22 2k36 h ILE 47 CO 0.43 0.91 -0.12 0.71 -3.07 0.00 0.00 178.15 177.01 2k36 h THR 48 N 0.00 0.00 -0.64 2.19 1.35 -2.01 -3.40 112.91 110.40 2k36 h THR 48 Ca -0.01 -0.61 -0.43 0.00 -0.55 0.00 0.00 66.41 64.81 2k36 h THR 48 Cb 1.66 1.53 -0.05 0.00 -1.73 0.00 0.00 68.15 69.55 2k36 h THR 48 CO 0.12 0.00 1.34 -0.55 -0.25 0.00 0.00 175.52 176.18 2k36 s SER 49 N -4.87 5.60 0.00 5.36 0.15 -1.19 -4.73 113.70 114.01 2k36 s SER 49 Ca 0.09 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 55.03 2k36 s SER 49 Cb 0.11 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2k36 s SER 49 CO 0.64 -2.45 0.00 0.00 1.20 0.00 0.00 173.24 172.63 2k36 n GLY 51 N -0.00 4.00 0.12 0.00 0.00 0.17 -4.79 105.19 104.69 2k36 n GLY 51 Ca 0.00 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 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 0.29 -0.79 1.61 3.08 -1.82 -3.10 114.38 113.65 2k36 h ARG 52 Ca 0.00 -0.14 0.16 0.00 0.07 0.00 0.00 59.98 60.07 2k36 h ARG 52 Cb 0.00 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.94 2k36 h ARG 52 CO 0.00 0.64 0.31 1.25 -1.07 0.00 0.00 179.97 181.11 2k36 h LEU 53 N -0.06 0.27 -1.07 3.04 6.46 -1.86 -1.76 115.31 120.33 2k36 h LEU 53 Ca 0.03 0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.82 2k36 h LEU 53 Cb 0.57 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 2k36 h LEU 53 CO 0.02 0.07 -0.37 1.88 -0.62 0.00 0.00 178.44 179.43 2k36 h TYR 54 N 0.43 0.21 -0.42 1.25 -1.99 -1.75 -2.90 116.97 111.79 2k36 h TYR 54 Ca 0.45 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 61.12 2k36 h TYR 54 Cb 0.72 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.39 2k36 h TYR 54 CO -0.17 0.53 0.23 0.87 -0.00 0.00 0.00 178.16 179.62 2k36 h LYS 55 N 0.16 0.57 -0.20 4.88 1.79 -1.34 -1.85 116.57 120.58 2k36 h LYS 55 Ca 0.02 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.26 2k36 h LYS 55 Cb 0.73 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2k36 h LYS 55 CO 0.05 0.42 -0.60 0.93 -1.08 0.00 0.00 179.45 179.17 2k36 h GLU 56 N 0.58 0.66 -0.78 3.15 3.07 -1.57 -2.40 114.58 117.28 2k36 h GLU 56 Ca 0.15 -0.45 0.09 0.00 -0.50 0.00 0.00 59.36 58.65 2k36 h GLU 56 Cb 0.01 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 2k36 h GLU 56 CO -0.03 1.07 0.51 -0.07 -1.40 0.00 0.00 179.01 179.09 2k36 h LEU 57 N 0.49 0.68 -1.64 1.33 -0.00 -1.40 0.04 115.31 114.81 2k36 h LEU 57 Ca -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2k36 h LEU 57 Cb 1.18 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.69 2k36 h LEU 57 CO 0.12 0.41 0.25 0.24 -0.00 0.00 0.00 178.44 179.46 2k36 h MET 58 N 0.76 0.47 0.00 1.13 2.86 -0.90 -0.74 114.93 118.50 2k36 h MET 58 Ca 0.35 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2k36 h MET 58 Cb 0.39 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2k36 h MET 58 CO -0.13 0.31 0.00 1.63 1.06 0.00 0.00 176.91 179.78 2k36 n LYS 59 N -4.48 0.15 0.07 1.72 5.02 -0.01 -1.56 118.16 119.06 2k36 n LYS 59 Ca 0.03 0.29 0.13 0.00 -2.02 0.00 0.00 58.31 56.74 2k36 n LYS 59 Cb 0.07 -1.74 0.47 0.00 -0.02 0.00 0.00 35.03 33.82 2k36 n LYS 59 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2k36 n PHE 60 N -2.01 0.61 -0.15 2.13 3.72 -0.29 -1.34 117.46 120.13 2k36 n PHE 60 Ca 0.04 0.18 -0.11 0.00 -0.05 0.00 0.00 57.45 57.51 2k36 n PHE 60 Cb 0.28 -0.80 -0.01 0.00 -0.94 0.00 0.00 39.48 38.01 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 0.84 -0.11 4.37 1.82 -1.34 -2.67 116.42 119.32 2k36 h ASP 61 Ca 0.00 -0.36 -0.16 0.00 -0.39 0.00 0.00 57.03 56.12 2k36 h ASP 61 Cb 0.63 -0.23 0.01 0.00 0.68 0.00 0.00 39.33 40.42 2k36 h ASP 61 CO 0.00 1.00 -0.57 -0.78 -1.61 0.00 0.00 179.24 177.28 2k36 h ASP 62 N 0.66 0.69 -0.40 2.28 3.58 -1.47 0.13 116.42 121.88 2k36 h ASP 62 Ca 0.11 -0.64 -0.01 0.00 0.42 0.00 0.00 57.03 56.90 2k36 h ASP 62 Cb 0.63 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2k36 h ASP 62 CO 0.04 1.22 0.21 1.62 -2.88 0.00 0.00 179.24 179.46 2k36 h VAL 63 N 0.20 1.15 -0.13 2.25 3.04 -1.28 0.54 116.25 122.02 2k36 h VAL 63 Ca -0.04 -0.42 -0.18 0.00 -1.01 0.00 0.00 66.70 65.05 2k36 h VAL 63 Cb 1.21 0.59 0.01 0.00 -2.01 0.00 0.00 31.29 31.09 2k36 h VAL 63 CO 0.12 0.17 -0.63 0.00 -1.01 0.00 0.00 177.57 176.21 2k36 h ALA 64 N 1.63 0.26 -0.66 3.17 0.00 -1.17 0.40 119.26 122.88 2k36 h ALA 64 Ca 0.15 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.57 2k36 h ALA 64 Cb 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2k36 h ALA 64 CO -0.02 0.53 0.44 0.82 0.00 0.00 0.00 179.25 181.02 2k36 h ILE 65 N 0.34 1.02 -0.18 0.00 2.04 0.36 0.53 117.51 121.62 2k36 h ILE 65 Ca -0.04 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 2k36 h ILE 65 Cb 1.27 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2k36 h ILE 65 CO 0.13 0.12 -0.34 -0.09 0.00 0.00 0.00 178.15 177.97 2k36 h ARG 66 N 0.68 0.54 0.00 2.37 2.43 0.18 -2.53 114.38 118.06 2k36 h ARG 66 Ca 0.28 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2k36 h ARG 66 Cb 0.24 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2k36 h ARG 66 CO -0.09 0.96 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.41 2k36 h TYR 67 N 0.20 -0.00 -0.09 2.20 5.03 -0.15 -3.39 116.97 120.77 2k36 h TYR 67 Ca 0.01 -0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.10 2k36 h TYR 67 Cb 0.94 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.22 2k36 h TYR 67 CO 0.09 -0.00 -0.81 1.88 -1.32 0.00 0.00 178.16 178.00 2k36 h TYR 68 N -0.12 0.80 0.00 -3.82 0.05 -0.20 -3.50 116.97 110.18 2k36 h TYR 68 Ca -0.00 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2k36 h TYR 68 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.63 2k36 h TYR 68 CO 0.01 1.17 0.00 0.41 -1.05 0.00 0.00 178.16 178.70 2k36 n GLY 69 N 0.72 2.34 0.27 3.88 0.00 -0.64 -4.30 105.19 107.47 2k36 n GLY 69 Ca -0.06 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 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 1.00 -0.03 -0.61 6.09 -1.82 0.34 117.51 122.47 2k36 h ILE 70 Ca 0.00 -0.26 0.03 0.00 -1.37 0.00 0.00 64.86 63.26 2k36 h ILE 70 Cb 0.00 0.17 -0.04 0.00 0.47 0.00 0.00 36.82 37.42 2k36 h ILE 70 CO 0.00 0.14 -0.19 -0.78 -3.07 0.00 0.00 178.15 174.25 2k36 h ASP 71 N 0.76 -0.56 -0.38 2.19 1.82 -1.91 0.36 116.42 118.70 2k36 h ASP 71 Ca 0.31 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.98 2k36 h ASP 71 Cb 0.16 0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2k36 h ASP 71 CO -0.17 -0.25 0.01 0.11 -1.61 0.00 0.00 179.24 177.33 2k36 h LYS 72 N -0.29 0.67 -0.42 0.28 1.79 -1.56 -1.26 116.57 115.77 2k36 h LYS 72 Ca 0.07 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 58.37 2k36 h LYS 72 Cb 0.38 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 2k36 h LYS 72 CO -0.20 0.76 0.20 0.82 -1.08 0.00 0.00 179.45 179.95 2k36 h ILE 73 N 0.49 0.96 -0.40 1.86 2.04 -0.03 0.65 117.51 123.08 2k36 h ILE 73 Ca 0.11 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2k36 h ILE 73 Cb 0.45 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2k36 h ILE 73 CO 0.02 0.07 0.05 0.78 0.00 0.00 0.00 178.15 179.07 2k36 h ASN 74 N 0.41 -0.06 -0.21 1.72 2.35 -0.05 0.48 115.58 120.22 2k36 h ASN 74 Ca 0.18 0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 2k36 h ASN 74 Cb 0.10 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2k36 h ASN 74 CO -0.14 0.00 -0.32 -0.33 -1.65 0.00 0.00 177.43 175.00 2k36 h GLU 75 N 0.16 0.72 0.16 0.81 5.08 -0.40 -2.93 114.58 118.19 2k36 h GLU 75 Ca 0.19 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2k36 h GLU 75 Cb 0.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k36 h GLU 75 CO -0.28 0.94 -0.08 0.82 -1.00 0.00 0.00 179.01 179.41 2k36 h ILE 76 N 0.61 0.96 -0.20 3.13 5.03 0.86 -1.77 117.51 126.14 2k36 h ILE 76 Ca 0.07 -0.89 0.05 0.00 -0.12 0.00 0.00 64.86 63.96 2k36 h ILE 76 Cb 0.84 1.48 -0.05 0.00 -3.03 0.00 0.00 36.82 36.06 2k36 h ILE 76 CO 0.07 0.20 -0.11 1.62 -0.68 0.00 0.00 178.15 179.25 2k36 h VAL 77 N -0.68 0.66 -0.95 1.67 3.04 -0.09 -0.10 116.25 119.79 2k36 h VAL 77 Ca -0.02 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.71 2k36 h VAL 77 Cb 0.49 0.66 -0.06 0.00 -2.01 0.00 0.00 31.29 30.37 2k36 h VAL 77 CO 0.04 0.00 0.62 -0.33 -1.01 0.00 0.00 177.57 176.89 2k36 h GLU 78 N -0.10 1.13 -0.09 4.17 5.08 -1.60 -1.98 114.58 121.19 2k36 h GLU 78 Ca 0.11 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2k36 h GLU 78 Cb 0.26 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2k36 h GLU 78 CO -0.26 0.75 -0.05 0.00 -1.00 0.00 0.00 179.01 178.44 2k36 h ALA 79 N 1.46 0.03 -1.00 3.43 0.00 -0.23 -2.04 119.26 120.91 2k36 h ALA 79 Ca 0.39 0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.58 2k36 h ALA 79 Cb 0.08 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 2k36 h ALA 79 CO -0.13 -0.52 0.59 0.52 0.00 0.00 0.00 179.25 179.71 2k36 h MET 80 N -0.05 0.58 0.00 0.00 2.86 -0.36 -1.88 114.93 116.08 2k36 h MET 80 Ca 0.06 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2k36 h MET 80 Cb 0.13 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2k36 h MET 80 CO -0.13 0.38 0.00 0.66 1.06 0.00 0.00 176.91 178.89 2k36 h SER 81 N 0.60 0.00 -0.24 1.22 4.64 -0.82 -1.38 113.55 117.57 2k36 h SER 81 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 2k36 h SER 81 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2k36 h SER 81 CO -0.47 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.87 2k36 n GLU 82 N -2.77 2.25 -1.76 4.77 4.71 -0.74 -4.11 120.64 122.99 2k36 n GLU 82 Ca 0.04 -1.86 -0.07 0.00 -0.01 0.00 0.00 57.16 55.25 2k36 n GLU 82 Cb 0.42 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 29.36 2k36 n GLU 82 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k36 n GLY 83 N 1.37 0.43 2.90 0.62 0.00 -0.52 -4.97 105.19 105.02 2k36 n GLY 83 Ca 0.17 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.77 0.69 0.26 1.61 2.15 -1.01 -5.04 116.67 112.57 2k36 s ASP 84 Ca 0.00 0.25 0.04 0.00 0.43 0.00 0.00 52.55 53.27 2k36 s ASP 84 Cb 0.00 0.67 -0.02 0.00 -0.30 0.00 0.00 42.92 43.28 2k36 s ASP 84 CO 0.00 -0.28 0.15 0.00 -0.17 0.00 0.00 175.17 174.87 2k36 n HIS 85 N 5.34 -0.21 -3.80 -5.34 1.44 -1.26 -4.18 115.22 107.20 2k36 n HIS 85 Ca -0.05 -1.90 -0.09 0.00 -2.01 0.00 0.00 57.72 53.66 2k36 n HIS 85 Cb 0.50 0.09 -0.06 0.00 0.12 0.00 0.00 29.99 30.64 2k36 n HIS 85 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2k36 s TYR 86 N -2.78 0.07 0.00 -1.40 -0.85 -1.26 -5.08 117.35 106.05 2k36 s TYR 86 Ca 0.21 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 2k36 s TYR 86 Cb 0.01 0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.40 2k36 s TYR 86 CO 0.15 -0.63 0.00 1.51 -1.52 0.00 0.00 175.55 175.06 2k36 n ILE 87 N -0.14 0.00 -3.25 -3.49 0.13 -1.26 -5.03 119.36 106.33 2k36 n ILE 87 Ca -0.14 0.00 -0.20 0.00 -1.10 0.00 0.00 62.75 61.31 2k36 n ILE 87 Cb 0.63 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.44 2k36 n ILE 87 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2k36 s ASN 88 N 0.00 5.25 0.03 9.51 4.22 -1.26 -5.14 114.94 127.56 2k36 s ASN 88 Ca 0.00 -0.70 0.04 0.00 -2.14 0.00 0.00 52.86 50.06 2k36 s ASN 88 Cb 0.00 -0.28 -0.02 0.00 1.28 0.00 0.00 41.25 42.24 2k36 s ASN 88 CO 0.00 -0.92 -0.13 0.72 -2.04 0.00 0.00 177.10 174.73 2k36 s PHE 89 N -2.51 1.12 0.38 1.54 -0.71 -1.26 -5.15 117.98 111.39 2k36 s PHE 89 Ca 0.53 -0.33 0.08 0.00 -1.04 0.00 0.00 56.93 56.16 2k36 s PHE 89 Cb -0.06 -0.67 -0.07 0.00 -1.21 0.00 0.00 43.02 41.00 2k36 s PHE 89 CO 0.32 0.02 -0.02 0.95 -1.34 0.00 0.00 175.22 175.14 2k36 s THR 90 N -0.79 2.13 0.00 -4.49 -4.23 -1.26 -5.10 115.64 101.90 2k36 s THR 90 Ca 0.01 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2k36 s THR 90 Cb -0.07 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2k36 s THR 90 CO 0.01 -0.08 0.00 1.17 -0.54 0.00 0.00 174.62 175.18 2k36 n LYS 91 N -0.91 0.00 -1.32 3.99 4.81 -1.26 -4.96 118.16 118.50 2k36 n LYS 91 Ca -0.05 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.08 2k36 n LYS 91 Cb 0.65 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.81 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 -1.00 3.48 0.00 3.15 0.24 -1.26 -4.72 118.33 118.22 2k36 n VAL 92 Ca 0.00 -2.75 0.00 0.00 -2.04 0.00 0.00 64.34 59.55 2k36 n VAL 92 Cb 0.00 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 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 -0.97 0.00 -3.87 6.34 8.25 -1.26 -5.05 115.22 118.65 2k36 n HIS 93 Ca 0.61 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.96 2k36 n HIS 93 Cb 0.91 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.90 2k36 n HIS 93 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k36 s ASP 94 N -1.00 -0.00 0.51 0.41 1.01 -1.26 -5.00 116.67 111.33 2k36 s ASP 94 Ca 0.00 -0.03 0.27 0.00 0.71 0.00 0.00 52.55 53.51 2k36 s ASP 94 Cb 0.00 0.15 1.37 0.00 1.01 0.00 0.00 42.92 45.45 2k36 s ASP 94 CO 0.00 -0.13 1.89 -0.61 0.21 0.00 0.00 175.17 176.52 2k36 h GLN 95 N 5.49 0.10 -0.96 8.23 4.15 -1.96 0.45 115.11 130.61 2k36 h GLN 95 Ca -0.27 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.19 2k36 h GLN 95 Cb 1.20 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.81 2k36 h GLN 95 CO 0.44 0.07 0.63 1.49 -1.93 0.00 0.00 178.83 179.53 2k36 h GLU 96 N 0.11 1.13 0.04 1.69 4.81 -1.98 -0.56 114.58 119.81 2k36 h GLU 96 Ca 0.43 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 59.37 2k36 h GLU 96 Cb 1.52 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2k36 h GLU 96 CO -0.05 0.75 -1.00 1.03 -0.73 0.00 0.00 179.01 179.00 2k36 h SER 97 N 1.16 0.31 -0.07 1.04 0.87 -1.31 -0.51 113.55 115.04 2k36 h SER 97 Ca 0.40 -0.28 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 2k36 h SER 97 Cb 0.09 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2k36 h SER 97 CO -0.14 1.13 -0.15 -0.07 -0.53 0.00 0.00 176.83 177.08 2k36 h LEU 98 N 0.10 -0.45 -0.64 2.23 3.38 -0.49 0.41 115.31 119.86 2k36 h LEU 98 Ca -0.07 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2k36 h LEU 98 Cb 1.68 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 2k36 h LEU 98 CO 0.16 -0.20 0.08 -0.26 0.09 0.00 0.00 178.44 178.30 2k36 h PHE 99 N -0.21 1.16 -0.51 1.13 -1.00 -1.15 -3.01 116.94 113.35 2k36 h PHE 99 Ca 0.07 -0.17 0.07 0.00 2.81 0.00 0.00 57.97 60.75 2k36 h PHE 99 Cb 0.31 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 2k36 h PHE 99 CO -0.24 0.99 0.35 0.00 -1.61 0.00 0.00 178.31 177.79 2k36 h ALA 100 N 1.03 1.97 -0.14 2.45 0.00 -0.36 -0.82 119.26 123.38 2k36 h ALA 100 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2k36 h ALA 100 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k36 h ALA 100 CO 0.02 -0.07 -0.23 1.15 0.00 0.00 0.00 179.25 180.12 2k36 h THR 101 N 0.39 1.23 0.14 0.00 2.02 -0.79 -1.67 112.91 114.23 2k36 h THR 101 Ca 0.23 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2k36 h THR 101 Cb 0.39 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2k36 h THR 101 CO -0.06 0.33 -0.07 0.40 0.37 0.00 0.00 175.52 176.49 2k36 h ILE 102 N 0.23 0.95 -0.82 3.11 5.03 -1.24 -3.06 117.51 121.71 2k36 h ILE 102 Ca 0.04 -1.15 -0.04 0.00 -0.12 0.00 0.00 64.86 63.59 2k36 h ILE 102 Cb 0.54 1.58 -0.04 0.00 -3.03 0.00 0.00 36.82 35.87 2k36 h ILE 102 CO 0.04 0.24 0.37 1.23 -0.68 0.00 0.00 178.15 179.35 2k36 h GLY 103 N -0.81 1.29 0.99 5.37 0.00 -1.38 0.21 103.07 108.74 2k36 h GLY 103 Ca -0.02 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.66 2k36 h GLY 103 CO 0.03 0.63 0.66 1.19 0.00 0.00 0.00 176.54 179.05 2k36 h ILE 104 N 1.18 1.24 -0.00 2.60 6.09 -1.43 0.18 117.51 127.36 2k36 h ILE 104 Ca 0.28 -0.46 -0.13 0.00 -1.37 0.00 0.00 64.86 63.18 2k36 h ILE 104 Cb 0.16 -0.21 -0.02 0.00 0.47 0.00 0.00 36.82 37.22 2k36 h ILE 104 CO -0.03 0.24 -0.61 0.00 -3.07 0.00 0.00 178.15 174.69 2k36 h ALA 106 N 1.39 0.70 0.00 0.00 0.00 0.84 -1.56 119.26 120.62 2k36 h ALA 106 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2k36 h ALA 106 Cb 1.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2k36 h ALA 106 CO 0.08 0.69 -0.41 -0.22 0.00 0.00 0.00 179.25 179.39 2k36 h LYS 107 N 0.42 0.00 -0.00 0.00 3.11 -0.98 -2.33 116.57 116.79 2k36 h LYS 107 Ca 0.01 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 2k36 h LYS 107 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 2k36 h LYS 107 CO 0.10 0.41 -0.12 0.82 -2.81 0.00 0.00 179.45 177.85 2k36 h ILE 108 N 0.00 1.58 -0.64 2.00 2.04 -1.42 -2.94 117.51 118.13 2k36 h ILE 108 Ca -0.00 -1.88 -0.02 0.00 1.00 0.00 0.00 64.86 63.96 2k36 h ILE 108 Cb 0.74 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.60 2k36 h ILE 108 CO 0.05 0.50 0.30 0.00 0.00 0.00 0.00 178.15 179.01 2k36 h THR 109 N -0.64 1.21 -0.02 -0.27 1.03 -1.22 -2.93 112.91 110.06 2k36 h THR 109 Ca -0.01 -0.60 -0.01 0.00 -0.01 0.00 0.00 66.41 65.78 2k36 h THR 109 Cb 0.88 0.39 -0.00 0.00 -1.07 0.00 0.00 68.15 68.35 2k36 h THR 109 CO 0.02 0.25 -0.01 1.05 -0.01 0.00 0.00 175.52 176.82 2k36 h GLU 110 N 0.91 0.04 -0.88 0.00 4.11 -1.53 -3.27 114.58 113.97 2k36 h GLU 110 Ca 0.22 -0.02 0.20 0.00 0.07 0.00 0.00 59.36 59.84 2k36 h GLU 110 Cb 0.10 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2k36 h GLU 110 CO -0.03 0.46 0.59 1.25 0.07 0.00 0.00 179.01 181.35 2k36 h HIS 111 N -0.38 0.48 0.00 2.06 2.76 -1.33 0.68 115.15 119.43 2k36 h HIS 111 Ca 0.00 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 2k36 h HIS 111 Cb 0.45 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 2k36 h HIS 111 CO 0.07 0.13 -0.11 -1.49 -1.30 0.00 0.00 177.93 175.24 2k36 h TRP 112 N 0.37 0.00 -0.74 5.26 6.55 -1.58 -3.36 115.95 122.44 2k36 h TRP 112 Ca 0.45 0.00 0.08 0.00 0.95 0.00 0.00 58.89 60.38 2k36 h TRP 112 Cb 1.18 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 29.41 2k36 h TRP 112 CO -0.00 0.11 0.41 0.78 -1.05 0.00 0.00 178.44 178.68 2k36 h GLY 113 N 2.36 1.12 0.04 1.49 0.00 -0.97 0.52 103.07 107.62 2k36 h GLY 113 Ca -0.00 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.12 2k36 h GLY 113 CO 0.01 0.12 -0.32 -0.97 0.00 0.00 0.00 176.54 175.38 2k36 h TYR 114 N 0.70 -0.90 -0.31 5.60 0.05 -1.76 -2.20 116.97 118.16 2k36 h TYR 114 Ca 0.35 0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.18 2k36 h TYR 114 Cb 0.31 0.43 0.00 0.00 1.01 0.00 0.00 36.73 38.48 2k36 h TYR 114 CO -0.08 -0.39 0.00 0.36 -1.05 0.00 0.00 178.16 177.00 2k36 n LYS 115 N -5.41 2.78 -3.25 4.88 2.85 -1.20 -4.88 118.16 113.92 2k36 n LYS 115 Ca -0.02 -1.97 -0.12 0.00 -1.05 0.00 0.00 58.31 55.15 2k36 n LYS 115 Cb 0.33 -1.25 0.04 0.00 -0.65 0.00 0.00 35.03 33.51 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 0.44 -1.84 -2.35 -1.58 5.02 0.62 -4.96 118.16 113.50 2k36 n LYS 116 Ca 0.10 1.02 -0.35 0.00 -2.02 0.00 0.00 58.31 57.07 2k36 n LYS 116 Cb 0.41 -5.57 -0.01 0.00 -0.02 0.00 0.00 35.03 29.84 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 -3.27 3.35 0.00 -0.18 1.01 0.15 -4.66 121.20 117.61 2k36 s ILE 117 Ca 0.31 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.85 2k36 s ILE 117 Cb -0.05 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2k36 s ILE 117 CO 0.76 -0.14 0.00 -0.24 0.00 0.00 0.00 174.94 175.32 2k36 n SER 118 N -0.97 0.00 0.00 3.58 2.88 -1.26 -4.80 113.62 113.05 2k36 n SER 118 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2k36 n SER 118 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2k36 n SER 118 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k36 n GLU 119 N 0.00 0.00 -2.75 -1.46 -0.58 -1.26 -4.19 120.64 110.40 2k36 n GLU 119 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 2k36 n GLU 119 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2k36 n GLU 119 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k36 s SER 120 N 0.00 6.45 0.27 1.62 0.01 -1.26 -4.90 113.70 115.90 2k36 s SER 120 Ca 0.00 0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.34 2k36 s SER 120 Cb 0.00 -2.48 0.35 0.00 0.21 0.00 0.00 66.02 64.11 2k36 s SER 120 CO 0.00 -1.22 1.62 0.03 0.41 0.00 0.00 173.24 174.08 2k36 h ARG 121 N 9.27 0.16 -6.12 12.44 2.47 -1.99 -3.37 114.38 127.23 2k36 h ARG 121 Ca -0.25 -0.10 -0.57 0.00 -1.26 0.00 0.00 59.98 57.80 2k36 h ARG 121 Cb 1.07 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.35 2k36 h ARG 121 CO 1.09 0.67 -0.02 0.12 0.56 0.00 0.00 179.97 182.39 2k36 s PHE 122 N -3.83 3.72 -1.00 3.04 5.36 -1.26 -3.93 117.98 120.07 2k36 s PHE 122 Ca -0.03 1.22 -0.04 0.00 -0.96 0.00 0.00 56.93 57.11 2k36 s PHE 122 Cb 0.13 -2.58 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 2k36 s PHE 122 CO 0.78 0.42 0.86 1.04 -1.46 0.00 0.00 175.22 176.86 2k36 n GLN 123 N 2.45 -5.77 0.00 10.12 6.02 -1.26 -4.91 117.38 124.03 2k36 n GLN 123 Ca -0.08 0.65 0.14 0.00 -0.01 0.00 0.00 57.00 57.70 2k36 n GLN 123 Cb 0.51 -5.12 0.61 0.00 1.02 0.00 0.00 30.24 27.26 2k36 n GLN 123 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2k36 n SER 124 N -2.28 0.19 -3.09 1.08 2.88 -1.25 -4.89 113.62 106.27 2k36 n SER 124 Ca -0.09 -0.08 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 2k36 n SER 124 Cb 0.58 -0.23 -0.04 0.00 -0.75 0.00 0.00 64.21 63.78 2k36 n SER 124 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k36 n LEU 125 N -1.28 0.00 0.00 2.46 -0.00 -1.26 -5.07 117.00 111.85 2k36 n LEU 125 Ca 0.11 -2.99 0.00 0.00 -0.00 0.00 0.00 56.01 53.13 2k36 n LEU 125 Cb 0.29 2.53 0.00 0.00 -0.00 0.00 0.00 43.42 46.24 2k36 n LEU 125 CO 0.26 -0.66 0.00 0.61 -0.00 0.00 0.00 177.39 177.60 2k36 n GLY 126 N -0.61 -1.62 3.51 1.47 0.00 -1.26 -5.07 105.19 101.62 2k36 n GLY 126 Ca 0.02 0.68 -0.42 0.00 0.00 0.00 0.00 46.02 46.30 2k36 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k36 s ASN 127 N -4.00 6.47 -0.00 1.61 0.01 -1.26 -4.69 114.94 113.08 2k36 s ASN 127 Ca 0.00 -1.49 -0.06 0.00 -0.71 0.00 0.00 52.86 50.60 2k36 s ASN 127 Cb 0.00 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 2k36 s ASN 127 CO 0.00 -1.39 -0.13 2.30 -1.51 0.00 0.00 177.10 176.38 2k36 n ILE 128 N 6.26 1.33 0.10 0.60 -5.35 -1.26 -4.35 119.36 116.69 2k36 n ILE 128 Ca 0.23 0.31 -0.04 0.00 -0.27 0.00 0.00 62.75 62.97 2k36 n ILE 128 Cb 0.50 -1.86 0.04 0.00 -1.74 0.00 0.00 39.64 36.58 2k36 n ILE 128 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2k36 h THR 129 N -0.36 1.56 0.00 7.28 1.35 -1.88 -3.10 112.91 117.76 2k36 h THR 129 Ca -0.00 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 2k36 h THR 129 Cb 0.37 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2k36 h THR 129 CO -0.00 0.77 0.00 0.47 -0.25 0.00 0.00 175.52 176.50 2k36 n ASP 130 N -3.61 0.00 0.03 5.36 9.92 -1.26 -2.61 116.55 124.38 2k36 n ASP 130 Ca -0.01 -0.78 0.13 0.00 -0.53 0.00 0.00 54.79 53.61 2k36 n ASP 130 Cb 0.76 -0.05 0.50 0.00 -0.64 0.00 0.00 41.12 41.69 2k36 n ASP 130 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k36 n LEU 131 N -1.05 0.32 -4.38 0.64 0.00 -1.17 -4.85 117.00 106.51 2k36 n LEU 131 Ca 0.21 0.47 -0.22 0.00 0.00 0.00 0.00 56.01 56.47 2k36 n LEU 131 Cb 0.12 -0.41 -0.08 0.00 0.00 0.00 0.00 43.42 43.05 2k36 n LEU 131 CO 0.18 -0.05 -0.14 0.00 0.00 0.00 0.00 177.39 177.38 2k36 s MET 132 N -3.04 1.84 0.13 1.96 0.23 -1.07 -4.94 119.30 114.40 2k36 s MET 132 Ca 0.12 -2.09 0.05 0.00 -1.03 0.00 0.00 55.69 52.74 2k36 s MET 132 Cb 0.17 -0.03 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 2k36 s MET 132 CO 0.57 -0.60 -0.12 0.95 -2.03 0.00 0.00 175.02 173.79 2k36 s THR 133 N -3.35 1.23 0.54 3.16 -4.23 -1.26 -4.97 115.64 106.76 2k36 s THR 133 Ca 0.34 -1.79 0.34 0.00 -1.18 0.00 0.00 61.69 59.40 2k36 s THR 133 Cb 0.02 -1.57 0.52 0.00 1.34 0.00 0.00 72.50 72.81 2k36 s THR 133 CO 0.22 -0.52 1.84 -0.78 -0.54 0.00 0.00 174.62 174.85 2k36 h ASP 134 N 3.34 0.00 0.61 3.99 3.58 -1.98 0.70 116.42 126.67 2k36 h ASP 134 Ca -0.39 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.97 2k36 h ASP 134 Cb 1.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2k36 h ASP 134 CO 0.54 0.00 -0.46 -0.78 -2.88 0.00 0.00 179.24 175.66 2k36 h ASP 135 N 0.00 0.00 0.84 2.28 3.58 -2.00 -2.47 116.42 118.65 2k36 h ASP 135 Ca 0.49 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.73 2k36 h ASP 135 Cb 2.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.03 2k36 h ASP 135 CO -0.01 0.46 -1.01 -1.13 -2.88 0.00 0.00 179.24 174.68 2k36 h ASN 136 N 0.00 0.12 -0.97 2.28 -0.73 -0.06 -3.07 115.58 113.16 2k36 h ASN 136 Ca -0.00 -0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.10 2k36 h ASN 136 Cb 0.89 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 39.38 2k36 h ASN 136 CO 0.06 1.05 0.62 0.40 -0.37 0.00 0.00 177.43 179.19 2k36 h ILE 137 N 0.03 1.11 -0.51 2.57 5.03 -0.65 0.27 117.51 125.36 2k36 h ILE 137 Ca -0.04 -0.40 -0.04 0.00 -0.12 0.00 0.00 64.86 64.26 2k36 h ILE 137 Cb 1.73 -0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 35.34 2k36 h ILE 137 CO 0.14 0.21 0.17 0.78 -0.68 0.00 0.00 178.15 178.77 2k36 h ASN 138 N 1.16 0.73 -0.64 1.72 2.35 -1.42 0.19 115.58 119.67 2k36 h ASN 138 Ca 0.41 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 2k36 h ASN 138 Cb 0.11 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2k36 h ASN 138 CO -0.15 0.73 0.25 0.40 -1.65 0.00 0.00 177.43 177.01 2k36 h ILE 139 N 0.69 1.24 0.17 2.81 2.04 -1.26 -1.71 117.51 121.49 2k36 h ILE 139 Ca 0.17 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2k36 h ILE 139 Cb 0.25 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2k36 h ILE 139 CO -0.01 0.29 -0.08 0.25 0.00 0.00 0.00 178.15 178.60 2k36 h LEU 140 N 0.90 -0.20 -0.78 1.44 7.12 -0.02 0.28 115.31 124.06 2k36 h LEU 140 Ca 0.21 -0.08 0.14 0.00 0.13 0.00 0.00 57.88 58.28 2k36 h LEU 140 Cb 0.21 0.05 -0.09 0.00 -0.53 0.00 0.00 40.66 40.30 2k36 h LEU 140 CO -0.02 -0.04 0.34 0.40 -0.13 0.00 0.00 178.44 178.99 2k36 h ILE 141 N -0.34 0.68 -0.09 4.05 1.08 -0.51 -0.91 117.51 121.46 2k36 h ILE 141 Ca -0.02 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 2k36 h ILE 141 Cb 0.27 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 2k36 h ILE 141 CO 0.04 0.09 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.51 2k36 h LEU 142 N 0.49 0.16 -0.40 1.44 4.07 -0.71 0.49 115.31 120.85 2k36 h LEU 142 Ca 0.43 -0.32 0.04 0.00 0.08 0.00 0.00 57.88 58.11 2k36 h LEU 142 Cb 0.63 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.29 2k36 h LEU 142 CO -0.39 0.45 0.16 0.15 -1.08 0.00 0.00 178.44 177.72 2k36 h PHE 143 N -0.13 0.28 -0.39 1.13 3.57 -0.04 -2.49 116.94 118.88 2k36 h PHE 143 Ca 0.03 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 2k36 h PHE 143 Cb 0.37 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2k36 h PHE 143 CO 0.04 0.12 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.11 2k36 h LEU 144 N 0.33 0.72 -1.98 0.59 3.38 -0.99 -3.05 115.31 114.31 2k36 h LEU 144 Ca 0.18 -0.34 0.10 0.00 0.09 0.00 0.00 57.88 57.91 2k36 h LEU 144 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2k36 h LEU 144 CO -0.17 0.89 0.42 -0.33 0.09 0.00 0.00 178.44 179.34 2k36 h GLU 145 N 0.53 0.00 -1.02 1.13 5.08 0.44 1.13 114.58 121.87 2k36 h GLU 145 Ca 0.10 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.73 2k36 h GLU 145 Cb 0.56 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.68 2k36 h GLU 145 CO 0.03 0.00 0.61 0.87 -1.00 0.00 0.00 179.01 179.52 2k36 h LYS 146 N 0.00 0.48 0.00 2.33 1.79 -1.40 -3.10 116.57 116.67 2k36 h LYS 146 Ca 0.17 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2k36 h LYS 146 Cb 1.01 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2k36 h LYS 146 CO -0.00 0.31 -0.92 1.63 -1.08 0.00 0.00 179.45 179.39 2k36 n LYS 147 N -4.86 0.72 -1.92 3.15 4.01 0.14 -5.06 118.16 114.34 2k36 n LYS 147 Ca 0.28 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.78 2k36 n LYS 147 Cb 0.83 -0.96 0.19 0.00 -0.51 0.00 0.00 35.03 34.59 2k36 n LYS 147 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k36 s LEU 148 N -2.84 2.69 0.00 -0.35 2.01 0.34 -5.03 118.68 115.51 2k36 s LEU 148 Ca 0.00 0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.38 2k36 s LEU 148 Cb 0.00 -2.25 0.00 0.00 0.01 0.00 0.00 46.19 43.95 2k36 s LEU 148 CO 0.00 -2.81 0.00 -3.20 1.01 0.00 0.00 176.35 171.35