#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 3.07 -0.20 -5.12 0.00 -1.26 -4.83 121.76 113.42 2k36 s ALA 2 Ca 0.00 -3.23 0.12 0.00 0.00 0.00 0.00 51.96 48.85 2k36 s ALA 2 Cb 0.00 -2.06 0.26 0.00 0.00 0.00 0.00 23.12 21.31 2k36 s ALA 2 CO 0.00 -2.05 1.17 -2.37 0.00 0.00 0.00 175.76 172.51 2k36 n THR 3 N 2.87 1.61 -4.06 0.00 5.66 -1.26 -4.96 114.28 114.15 2k36 n THR 3 Ca 0.12 -1.69 -0.34 0.00 -3.05 0.00 0.00 64.05 59.09 2k36 n THR 3 Cb 0.34 0.05 -0.15 0.00 -1.55 0.00 0.00 70.33 69.02 2k36 n THR 3 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2k36 s LYS 4 N -2.12 3.04 -0.44 1.09 2.20 -1.26 -5.08 119.74 117.16 2k36 s LYS 4 Ca 0.24 -0.81 -0.07 0.00 -0.36 0.00 0.00 55.97 54.97 2k36 s LYS 4 Cb 0.20 -2.72 0.11 0.00 -1.51 0.00 0.00 37.83 33.91 2k36 s LYS 4 CO 0.05 -0.24 0.28 -0.48 -0.36 0.00 0.00 175.35 174.60 2k36 s LEU 5 N 1.33 5.46 0.48 5.43 2.34 -1.26 -4.92 118.68 127.53 2k36 s LEU 5 Ca 0.04 -1.90 0.27 0.00 0.06 0.00 0.00 54.13 52.60 2k36 s LEU 5 Cb -0.14 -1.94 1.12 0.00 -0.56 0.00 0.00 46.19 44.67 2k36 s LEU 5 CO -0.10 -0.62 1.91 0.44 -1.06 0.00 0.00 176.35 176.92 2k36 h ASP 6 N 8.30 0.00 -1.42 1.48 5.19 -1.98 -3.36 116.42 124.64 2k36 h ASP 6 Ca -0.19 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.49 2k36 h ASP 6 Cb 1.07 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.44 2k36 h ASP 6 CO 0.79 0.16 1.95 0.00 -3.12 0.00 0.00 179.24 179.02 2k36 n TYR 7 N -3.37 4.02 -0.06 4.55 4.11 -1.26 -4.70 117.16 120.44 2k36 n TYR 7 Ca -0.00 -3.03 -0.02 0.00 -0.00 0.00 0.00 57.90 54.84 2k36 n TYR 7 Cb 0.37 -2.21 -0.01 0.00 -0.00 0.00 0.00 39.34 37.48 2k36 n TYR 7 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 2k36 h GLU 8 N 6.55 0.00 -0.99 -3.48 5.08 -2.03 -3.32 114.58 116.39 2k36 h GLU 8 Ca 0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 2k36 h GLU 8 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2k36 h GLU 8 CO 1.50 0.00 0.03 -0.40 -1.00 0.00 0.00 179.01 179.14 2k36 n ASP 9 N -4.67 2.56 -3.98 1.42 5.68 -1.26 -4.69 116.55 111.61 2k36 n ASP 9 Ca -0.04 -2.09 -0.34 0.00 -0.50 0.00 0.00 54.79 51.82 2k36 n ASP 9 Cb 0.14 -0.52 -0.09 0.00 -1.14 0.00 0.00 41.12 39.50 2k36 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k36 n ALA 10 N 0.29 1.44 -0.14 2.12 0.00 -1.25 -4.65 120.51 118.32 2k36 n ALA 10 Ca 0.03 -2.79 -0.10 0.00 0.00 0.00 0.00 53.44 50.59 2k36 n ALA 10 Cb 0.50 -3.58 -0.01 0.00 0.00 0.00 0.00 19.45 16.36 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 5.48 1.23 -2.76 0.00 3.04 -1.93 -3.44 116.25 117.87 2k36 h VAL 11 Ca 0.23 -0.77 -0.59 0.00 -1.01 0.00 0.00 66.70 64.55 2k36 h VAL 11 Cb 0.81 0.97 0.10 0.00 -2.01 0.00 0.00 31.29 31.15 2k36 h VAL 11 CO 1.64 0.27 0.40 2.22 -1.01 0.00 0.00 177.57 181.09 2k36 n PHE 12 N -4.57 1.85 -0.09 3.17 1.16 -1.26 -4.93 117.46 112.79 2k36 n PHE 12 Ca -0.00 0.58 -0.17 0.00 -1.87 0.00 0.00 57.45 55.98 2k36 n PHE 12 Cb 0.20 -2.37 -0.08 0.00 -1.61 0.00 0.00 39.48 35.63 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 0.84 0.00 0.94 2.97 9.36 -1.26 -4.47 117.16 125.54 2k36 n TYR 13 Ca 0.09 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.41 2k36 n TYR 13 Cb 0.32 -0.69 0.52 0.00 -0.63 0.00 0.00 39.34 38.86 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 -3.48 0.00 -0.33 2.98 3.72 -1.26 -3.06 117.46 116.03 2k36 n PHE 14 Ca -0.35 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.16 2k36 n PHE 14 Cb 0.80 -0.35 0.24 0.00 -0.94 0.00 0.00 39.48 39.23 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 0.09 -0.11 -4.37 3.04 -1.97 -1.10 116.25 111.83 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 0.25 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.59 2k36 h VAL 15 CO 0.00 0.01 0.00 -0.67 -1.01 0.00 0.00 177.57 175.90 2k36 n ASP 16 N -5.48 2.91 -0.34 3.17 2.03 -1.17 0.68 116.55 118.35 2k36 n ASP 16 Ca 0.20 -2.94 0.13 0.00 0.52 0.00 0.00 54.79 52.70 2k36 n ASP 16 Cb 0.66 -0.43 0.33 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.74 0.76 0.00 1.67 3.58 -1.23 -3.40 116.42 118.54 2k36 h ASP 17 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2k36 h ASP 17 Cb 1.12 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2k36 h ASP 17 CO 0.08 0.30 0.00 -0.67 -2.88 0.00 0.00 179.24 176.07 2k36 n ASP 18 N -4.71 0.00 -4.72 2.28 2.03 -1.26 -4.87 116.55 105.30 2k36 n ASP 18 Ca 0.22 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.26 2k36 n ASP 18 Cb 0.55 -0.11 -0.08 0.00 -0.72 0.00 0.00 41.12 40.77 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 2.15 0.02 -0.67 -2.85 -1.26 -4.26 119.74 112.88 2k36 s LYS 19 Ca 0.00 -2.00 -0.21 0.00 -1.00 0.00 0.00 55.97 52.76 2k36 s LYS 19 Cb 0.00 -1.84 -0.06 0.00 -2.06 0.00 0.00 37.83 33.87 2k36 s LYS 19 CO 0.00 -0.17 0.61 -1.50 0.10 0.00 0.00 175.35 174.39 2k36 s ILE 20 N -2.68 4.84 0.00 3.79 1.10 -1.26 -4.69 121.20 122.29 2k36 s ILE 20 Ca 0.34 1.29 0.00 0.00 -0.51 0.00 0.00 60.65 61.77 2k36 s ILE 20 Cb 0.05 -3.95 0.00 0.00 0.15 0.00 0.00 42.46 38.71 2k36 s ILE 20 CO 0.19 0.45 0.00 0.00 -2.11 0.00 0.00 174.94 173.46 2k36 s SER 22 N -0.13 3.62 0.26 0.00 0.15 -1.26 -4.90 113.70 111.44 2k36 s SER 22 Ca 0.00 2.06 -0.02 0.00 0.70 0.00 0.00 55.95 58.69 2k36 s SER 22 Cb 0.00 -2.55 0.52 0.00 -1.71 0.00 0.00 66.02 62.27 2k36 s SER 22 CO 0.00 -2.63 1.75 0.03 1.20 0.00 0.00 173.24 173.58 2k36 h ARG 23 N -1.46 0.52 0.00 5.44 3.08 -2.00 -1.43 114.38 118.53 2k36 h ARG 23 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2k36 h ARG 23 Cb 1.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2k36 h ARG 23 CO 0.46 0.35 0.00 -3.47 -1.07 0.00 0.00 179.97 176.23 2k36 n ASP 24 N -4.93 0.00 -0.01 7.04 2.03 -1.26 -2.26 116.55 117.15 2k36 n ASP 24 Ca 0.16 -0.77 -0.02 0.00 0.52 0.00 0.00 54.79 54.68 2k36 n ASP 24 Cb 0.44 -0.02 -0.12 0.00 -0.72 0.00 0.00 41.12 40.70 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 -1.02 0.51 0.07 1.67 2.88 -0.54 -3.57 113.62 113.63 2k36 n SER 25 Ca 0.19 0.23 0.12 0.00 -1.33 0.00 0.00 58.87 58.08 2k36 n SER 25 Cb 0.10 0.61 0.46 0.00 -0.75 0.00 0.00 64.21 64.64 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 -2.78 0.56 0.18 2.46 2.08 -0.96 -1.13 119.36 119.77 2k36 n ILE 26 Ca -0.16 -0.04 -0.12 0.00 0.56 0.00 0.00 62.75 62.99 2k36 n ILE 26 Cb 0.91 -0.75 -0.07 0.00 -0.75 0.00 0.00 39.64 38.98 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 0.00 0.49 -0.02 1.39 1.08 -1.62 -2.92 117.51 115.91 2k36 h ILE 27 Ca 0.00 -0.65 -0.16 0.00 -0.39 0.00 0.00 64.86 63.66 2k36 h ILE 27 Cb 0.54 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2k36 h ILE 27 CO 0.00 0.10 -0.72 -0.78 -0.69 0.00 0.00 178.15 176.06 2k36 h ASP 28 N -0.93 0.18 -0.49 1.72 3.58 -1.65 -3.29 116.42 115.54 2k36 h ASP 28 Ca -0.05 -0.12 0.10 0.00 0.42 0.00 0.00 57.03 57.38 2k36 h ASP 28 Cb 0.54 -0.05 -0.09 0.00 1.72 0.00 0.00 39.33 41.44 2k36 h ASP 28 CO 0.08 0.84 -0.11 0.25 -2.88 0.00 0.00 179.24 177.41 2k36 h LEU 29 N 0.10 -0.44 -1.61 2.28 5.85 -1.14 -0.54 115.31 119.81 2k36 h LEU 29 Ca -0.02 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2k36 h LEU 29 Cb 1.27 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 2k36 h LEU 29 CO 0.11 -0.16 0.35 0.40 -0.34 0.00 0.00 178.44 178.80 2k36 h ILE 30 N 0.01 0.98 -0.07 4.05 1.08 -1.58 0.36 117.51 122.33 2k36 h ILE 30 Ca 0.24 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 2k36 h ILE 30 Cb 0.36 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 2k36 h ILE 30 CO -0.50 0.09 -0.04 -0.78 -0.69 0.00 0.00 178.15 176.23 2k36 h ASP 31 N 0.48 0.16 -0.01 1.72 3.58 -1.31 -2.43 116.42 118.61 2k36 h ASP 31 Ca 0.23 -0.43 0.01 0.00 0.42 0.00 0.00 57.03 57.26 2k36 h ASP 31 Cb 0.29 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2k36 h ASP 31 CO -0.06 0.55 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.47 2k36 h GLU 32 N -0.23 -0.09 0.54 0.28 4.39 -0.18 -1.40 114.58 117.89 2k36 h GLU 32 Ca 0.02 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2k36 h GLU 32 Cb 0.49 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2k36 h GLU 32 CO 0.01 -0.06 -0.26 -0.92 -1.16 0.00 0.00 179.01 176.62 2k36 h TYR 33 N -0.09 -0.67 -0.47 4.33 3.20 -0.42 0.54 116.97 123.38 2k36 h TYR 33 Ca 0.03 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.98 2k36 h TYR 33 Cb 0.13 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2k36 h TYR 33 CO -0.13 -0.36 0.33 0.82 -1.64 0.00 0.00 178.16 177.17 2k36 h ILE 34 N -0.87 0.85 0.07 1.81 1.08 -1.45 0.23 117.51 119.23 2k36 h ILE 34 Ca -0.07 -0.07 -0.26 0.00 -0.39 0.00 0.00 64.86 64.07 2k36 h ILE 34 Cb 0.61 0.65 0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2k36 h ILE 34 CO 0.12 0.03 -1.11 0.74 -0.69 0.00 0.00 178.15 177.24 2k36 h THR 35 N 0.19 1.41 -0.50 -0.27 2.02 -0.94 -3.29 112.91 111.53 2k36 h THR 35 Ca 0.22 -2.66 -0.10 0.00 0.77 0.00 0.00 66.41 64.64 2k36 h THR 35 Cb 0.62 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.68 2k36 h THR 35 CO -0.04 0.79 -0.07 -0.25 0.37 0.00 0.00 175.52 176.32 2k36 h TRP 36 N 0.18 1.03 -0.41 3.16 7.01 0.24 -0.74 115.95 126.42 2k36 h TRP 36 Ca -0.12 -0.21 0.12 0.00 2.11 0.00 0.00 58.89 60.79 2k36 h TRP 36 Cb 1.79 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 28.57 2k36 h TRP 36 CO 0.07 0.98 0.38 0.00 -2.79 0.00 0.00 178.44 177.08 2k36 h ARG 37 N 0.79 0.00 0.11 2.65 2.47 -0.78 -1.52 114.38 118.10 2k36 h ARG 37 Ca 0.13 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.68 2k36 h ARG 37 Cb 0.62 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2k36 h ARG 37 CO 0.04 0.00 -0.81 -0.97 0.56 0.00 0.00 179.97 178.79 2k36 h ASN 38 N 0.00 0.36 -0.47 7.04 -0.73 -1.24 -3.34 115.58 117.20 2k36 h ASN 38 Ca 0.20 -0.93 0.01 0.00 1.87 0.00 0.00 56.30 57.44 2k36 h ASN 38 Cb 0.95 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 2k36 h ASN 38 CO -0.00 1.38 0.31 0.45 -0.37 0.00 0.00 177.43 179.20 2k36 h HIS 39 N -0.48 0.59 0.00 0.67 3.86 -0.28 0.61 115.15 120.11 2k36 h HIS 39 Ca -0.16 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2k36 h HIS 39 Cb 1.55 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.82 2k36 h HIS 39 CO 0.19 0.37 -0.02 0.28 0.86 0.00 0.00 177.93 179.61 2k36 h VAL 40 N 0.63 0.32 0.00 2.45 2.07 -1.53 -2.83 116.25 117.36 2k36 h VAL 40 Ca 0.17 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2k36 h VAL 40 Cb -0.07 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2k36 h VAL 40 CO -0.04 0.02 -0.32 -0.38 0.02 0.00 0.00 177.57 176.87 2k36 n ILE 41 N -3.50 0.82 -0.21 4.57 2.08 0.14 -1.61 119.36 121.66 2k36 n ILE 41 Ca -0.03 0.33 0.01 0.00 0.56 0.00 0.00 62.75 63.63 2k36 n ILE 41 Cb 0.11 -2.01 0.10 0.00 -0.75 0.00 0.00 39.64 37.09 2k36 n ILE 41 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2k36 h VAL 42 N -0.58 0.47 0.00 1.39 2.07 -1.46 -0.62 116.25 117.54 2k36 h VAL 42 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k36 h VAL 42 Cb 0.32 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2k36 h VAL 42 CO 0.00 0.02 -0.93 0.49 0.02 0.00 0.00 177.57 177.17 2k36 n PHE 43 N -5.29 0.34 -3.57 1.57 3.01 -1.07 -4.84 117.46 107.61 2k36 n PHE 43 Ca 0.09 0.10 -0.25 0.00 1.01 0.00 0.00 57.45 58.40 2k36 n PHE 43 Cb 0.36 -0.49 0.05 0.00 -0.01 0.00 0.00 39.48 39.39 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 -2.00 -4.93 0.00 4.37 2.85 -0.24 -5.03 115.26 110.28 2k36 n ASN 44 Ca 0.02 -0.90 0.00 0.00 -0.11 0.00 0.00 54.58 53.60 2k36 n ASN 44 Cb 0.44 -4.01 0.00 0.00 1.24 0.00 0.00 39.78 37.44 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 -3.93 0.97 -4.18 1.20 5.02 -0.63 -4.95 118.16 111.65 2k36 n LYS 45 Ca -0.12 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.01 2k36 n LYS 45 Cb 0.62 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.49 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 -1.38 0.81 0.14 4.39 -1.08 -1.26 -4.95 116.67 113.34 2k36 s ASP 46 Ca 0.00 -0.25 0.13 0.00 -0.52 0.00 0.00 52.55 51.91 2k36 s ASP 46 Cb 0.00 -0.05 -0.10 0.00 -1.46 0.00 0.00 42.92 41.31 2k36 s ASP 46 CO 0.00 -0.00 1.15 -0.29 0.52 0.00 0.00 175.17 176.54 2k36 h ILE 47 N 4.83 1.00 0.00 4.11 6.09 -1.97 -3.28 117.51 128.29 2k36 h ILE 47 Ca -0.31 -2.55 0.00 0.00 -1.37 0.00 0.00 64.86 60.63 2k36 h ILE 47 Cb 1.19 2.44 0.00 0.00 0.47 0.00 0.00 36.82 40.92 2k36 h ILE 47 CO 0.47 0.57 -0.15 0.71 -3.07 0.00 0.00 178.15 176.69 2k36 h THR 48 N 0.00 0.00 -0.96 2.19 1.35 -2.01 -3.39 112.91 110.09 2k36 h THR 48 Ca -0.08 -0.93 -0.67 0.00 -0.55 0.00 0.00 66.41 64.18 2k36 h THR 48 Cb 1.62 1.85 -0.09 0.00 -1.73 0.00 0.00 68.15 69.80 2k36 h THR 48 CO 0.08 0.00 2.07 -0.55 -0.25 0.00 0.00 175.52 176.87 2k36 s SER 49 N -5.85 6.80 0.00 5.36 0.15 -1.24 -4.77 113.70 114.16 2k36 s SER 49 Ca 0.06 -2.34 0.00 0.00 0.70 0.00 0.00 55.95 54.37 2k36 s SER 49 Cb 0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2k36 s SER 49 CO 0.68 -1.20 0.00 0.00 1.20 0.00 0.00 173.24 173.92 2k36 n GLY 51 N 0.00 4.08 0.18 0.00 0.00 0.21 -4.77 105.19 104.89 2k36 n GLY 51 Ca 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 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 0.57 -0.75 1.61 2.47 -1.83 -3.14 114.38 113.31 2k36 h ARG 52 Ca 0.00 -0.38 0.13 0.00 -1.26 0.00 0.00 59.98 58.48 2k36 h ARG 52 Cb 0.00 0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 28.28 2k36 h ARG 52 CO 0.00 0.99 0.31 1.25 0.56 0.00 0.00 179.97 183.08 2k36 h LEU 53 N 0.23 0.32 -0.76 3.04 6.46 -1.84 -2.23 115.31 120.51 2k36 h LEU 53 Ca 0.00 0.10 -0.13 0.00 -0.12 0.00 0.00 57.88 57.73 2k36 h LEU 53 Cb 0.99 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 2k36 h LEU 53 CO 0.08 0.13 -0.53 1.88 -0.62 0.00 0.00 178.44 179.39 2k36 h TYR 54 N 0.47 0.29 -0.45 1.25 -1.99 -1.77 -3.00 116.97 111.77 2k36 h TYR 54 Ca 0.41 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 61.02 2k36 h TYR 54 Cb 0.59 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 2k36 h TYR 54 CO -0.15 0.72 0.20 0.87 -0.00 0.00 0.00 178.16 179.80 2k36 h LYS 55 N 0.18 0.63 -0.15 4.88 1.79 -1.39 -1.85 116.57 120.67 2k36 h LYS 55 Ca 0.00 -0.08 -0.19 0.00 -2.18 0.00 0.00 60.65 58.20 2k36 h LYS 55 Cb 1.00 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2k36 h LYS 55 CO 0.08 0.51 -0.69 1.49 -1.08 0.00 0.00 179.45 179.76 2k36 h GLU 56 N 0.64 0.61 -0.94 3.15 4.57 -1.53 -2.36 114.58 118.73 2k36 h GLU 56 Ca 0.16 -0.46 0.07 0.00 -1.18 0.00 0.00 59.36 57.95 2k36 h GLU 56 Cb 0.09 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 2k36 h GLU 56 CO -0.02 1.08 0.61 -0.07 -1.18 0.00 0.00 179.01 179.43 2k36 h LEU 57 N 0.43 0.94 -1.57 1.64 -0.00 -1.38 -1.53 115.31 113.84 2k36 h LEU 57 Ca -0.03 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.93 2k36 h LEU 57 Cb 1.28 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.72 2k36 h LEU 57 CO 0.13 0.59 0.38 0.24 -0.00 0.00 0.00 178.44 179.78 2k36 h MET 58 N 1.06 0.51 0.00 1.13 2.86 -0.81 0.10 114.93 119.78 2k36 h MET 58 Ca 0.41 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 2k36 h MET 58 Cb 0.22 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2k36 h MET 58 CO -0.16 0.34 0.00 1.63 1.06 0.00 0.00 176.91 179.78 2k36 n LYS 59 N -4.47 0.18 0.09 1.72 5.02 -0.58 -1.52 118.16 118.60 2k36 n LYS 59 Ca 0.08 0.43 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 2k36 n LYS 59 Cb 0.25 -1.86 0.46 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.20 0.67 -0.13 2.13 3.72 0.36 -1.07 117.46 120.93 2k36 n PHE 60 Ca 0.02 0.22 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 2k36 n PHE 60 Cb 0.22 -0.85 -0.01 0.00 -0.94 0.00 0.00 39.48 37.89 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 1.01 -0.09 4.37 1.82 -1.35 -2.79 116.42 119.39 2k36 h ASP 61 Ca 0.00 -0.44 -0.17 0.00 -0.39 0.00 0.00 57.03 56.04 2k36 h ASP 61 Cb 0.56 -0.28 0.01 0.00 0.68 0.00 0.00 39.33 40.29 2k36 h ASP 61 CO 0.00 1.24 -0.59 -0.78 -1.61 0.00 0.00 179.24 177.50 2k36 h ASP 62 N 0.80 0.67 -0.42 2.28 3.58 -1.35 0.18 116.42 122.16 2k36 h ASP 62 Ca 0.08 -0.66 -0.02 0.00 0.42 0.00 0.00 57.03 56.84 2k36 h ASP 62 Cb 0.92 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2k36 h ASP 62 CO 0.09 1.23 0.21 1.62 -2.88 0.00 0.00 179.24 179.50 2k36 h VAL 63 N 0.16 1.17 -0.15 2.25 3.04 -1.18 0.39 116.25 121.94 2k36 h VAL 63 Ca -0.05 -0.49 -0.16 0.00 -1.01 0.00 0.00 66.70 64.99 2k36 h VAL 63 Cb 1.25 0.59 0.01 0.00 -2.01 0.00 0.00 31.29 31.12 2k36 h VAL 63 CO 0.12 0.20 -0.52 0.00 -1.01 0.00 0.00 177.57 176.36 2k36 h ALA 64 N 1.57 0.27 -0.88 3.17 0.00 -1.21 0.72 119.26 122.90 2k36 h ALA 64 Ca 0.16 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.67 2k36 h ALA 64 Cb 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2k36 h ALA 64 CO -0.02 0.46 0.57 0.82 0.00 0.00 0.00 179.25 181.08 2k36 h ILE 65 N 0.28 0.94 -0.16 0.00 2.04 0.39 0.67 117.51 121.67 2k36 h ILE 65 Ca -0.02 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 2k36 h ILE 65 Cb 1.15 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2k36 h ILE 65 CO 0.11 0.15 -0.16 -0.09 0.00 0.00 0.00 178.15 178.17 2k36 h ARG 66 N 0.84 0.38 0.00 2.37 2.43 -0.14 -2.64 114.38 117.62 2k36 h ARG 66 Ca 0.41 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2k36 h ARG 66 Cb 0.46 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2k36 h ARG 66 CO -0.18 0.76 0.00 0.98 -1.51 0.00 0.00 179.97 180.02 2k36 n TYR 67 N -4.53 0.00 0.08 2.20 4.19 0.23 -4.31 117.16 115.02 2k36 n TYR 67 Ca -0.06 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.09 2k36 n TYR 67 Cb 0.37 -0.40 0.09 0.00 0.49 0.00 0.00 39.34 39.89 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 0.33 0.00 2.98 0.05 0.09 -3.49 116.97 116.93 2k36 h TYR 68 Ca 0.00 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.64 2k36 h TYR 68 Cb 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.69 2k36 h TYR 68 CO 0.04 0.83 0.00 0.41 -1.05 0.00 0.00 178.16 178.39 2k36 n GLY 69 N 0.40 2.29 0.23 3.88 0.00 -0.74 -4.48 105.19 106.78 2k36 n GLY 69 Ca -0.03 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 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 1.10 0.05 -0.61 6.09 -1.81 0.28 117.51 122.60 2k36 h ILE 70 Ca 0.00 -0.25 0.02 0.00 -1.37 0.00 0.00 64.86 63.27 2k36 h ILE 70 Cb 0.00 0.31 -0.04 0.00 0.47 0.00 0.00 36.82 37.57 2k36 h ILE 70 CO 0.00 0.13 -0.23 -0.78 -3.07 0.00 0.00 178.15 174.20 2k36 h ASP 71 N 0.72 -0.66 -0.51 2.19 3.58 -1.91 0.31 116.42 120.13 2k36 h ASP 71 Ca 0.22 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.66 2k36 h ASP 71 Cb -0.02 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2k36 h ASP 71 CO -0.08 -0.31 -0.04 0.11 -2.88 0.00 0.00 179.24 176.04 2k36 h LYS 72 N -0.39 0.94 -0.21 0.28 1.79 -1.66 -0.70 116.57 116.61 2k36 h LYS 72 Ca 0.05 -0.32 0.02 0.00 -2.18 0.00 0.00 60.65 58.22 2k36 h LYS 72 Cb 0.44 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2k36 h LYS 72 CO -0.17 0.98 0.06 0.82 -1.08 0.00 0.00 179.45 180.05 2k36 h ILE 73 N 0.80 0.93 -0.65 1.86 2.04 -0.17 0.53 117.51 122.86 2k36 h ILE 73 Ca 0.14 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2k36 h ILE 73 Cb 0.58 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2k36 h ILE 73 CO 0.03 0.03 0.36 0.78 0.00 0.00 0.00 178.15 179.35 2k36 h ASN 74 N 0.15 0.54 -0.14 1.72 2.35 0.02 0.54 115.58 120.77 2k36 h ASN 74 Ca 0.09 0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 2k36 h ASN 74 Cb 0.07 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2k36 h ASN 74 CO -0.10 0.36 -0.63 -0.33 -1.65 0.00 0.00 177.43 175.07 2k36 h GLU 75 N 0.67 0.76 0.18 0.81 5.08 -0.76 -2.99 114.58 118.33 2k36 h GLU 75 Ca 0.29 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2k36 h GLU 75 Cb 0.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k36 h GLU 75 CO -0.17 1.15 -0.09 0.82 -1.00 0.00 0.00 179.01 179.72 2k36 h ILE 76 N 0.56 0.93 -0.31 3.13 5.03 0.75 0.85 117.51 128.44 2k36 h ILE 76 Ca -0.01 -0.63 0.06 0.00 -0.12 0.00 0.00 64.86 64.17 2k36 h ILE 76 Cb 1.23 1.30 -0.06 0.00 -3.03 0.00 0.00 36.82 36.26 2k36 h ILE 76 CO 0.13 0.14 -0.09 1.62 -0.68 0.00 0.00 178.15 179.27 2k36 h VAL 77 N -0.56 0.66 -0.81 1.67 3.04 -0.02 0.15 116.25 120.40 2k36 h VAL 77 Ca -0.02 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 2k36 h VAL 77 Cb 0.42 0.66 -0.04 0.00 -2.01 0.00 0.00 31.29 30.32 2k36 h VAL 77 CO 0.04 0.00 0.48 -0.33 -1.01 0.00 0.00 177.57 176.75 2k36 h GLU 78 N -0.02 1.10 -0.26 4.17 5.08 -1.53 -2.55 114.58 120.57 2k36 h GLU 78 Ca 0.15 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k36 h GLU 78 Cb 0.25 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k36 h GLU 78 CO -0.33 0.77 0.16 0.00 -1.00 0.00 0.00 179.01 178.61 2k36 h ALA 79 N 1.41 0.33 -1.34 3.43 0.00 0.84 -0.42 119.26 123.51 2k36 h ALA 79 Ca 0.29 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 55.55 2k36 h ALA 79 Cb -0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2k36 h ALA 79 CO -0.05 -0.17 0.96 0.52 0.00 0.00 0.00 179.25 180.50 2k36 h MET 80 N 0.33 0.02 -0.00 0.00 2.86 -0.37 0.20 114.93 117.96 2k36 h MET 80 Ca 0.09 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2k36 h MET 80 Cb 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2k36 h MET 80 CO -0.02 0.02 -0.12 0.43 1.06 0.00 0.00 176.91 178.28 2k36 n SER 81 N -4.17 0.15 -0.55 1.22 7.64 -0.18 -2.80 113.62 114.93 2k36 n SER 81 Ca 0.30 0.20 0.12 0.00 1.01 0.00 0.00 58.87 60.49 2k36 n SER 81 Cb 1.39 -0.28 0.12 0.00 -1.01 0.00 0.00 64.21 64.43 2k36 n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k36 n GLU 82 N -1.44 1.41 -2.95 1.43 -0.58 0.68 -4.23 120.64 114.97 2k36 n GLU 82 Ca 0.08 -1.11 -0.11 0.00 -0.42 0.00 0.00 57.16 55.60 2k36 n GLU 82 Cb 0.33 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.78 2k36 n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k36 n GLY 83 N 1.37 -0.08 0.14 0.62 0.00 -1.12 -4.90 105.19 101.21 2k36 n GLY 83 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k36 n GLY 83 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k36 n ASP 84 N -2.37 0.00 -0.06 1.61 2.03 -1.26 -5.07 116.55 111.43 2k36 n ASP 84 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2k36 n ASP 84 Cb 0.61 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 2k36 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k36 n HIS 85 N -1.10 -0.50 -3.55 -0.67 1.44 -1.26 -4.97 115.22 104.61 2k36 n HIS 85 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2k36 n HIS 85 Cb 0.00 0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.12 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 0.00 -0.46 -0.17 -1.40 -0.85 -1.26 -5.05 117.35 108.16 2k36 s TYR 86 Ca 0.00 0.73 -0.11 0.00 -0.52 0.00 0.00 57.07 57.16 2k36 s TYR 86 Cb 0.00 0.45 0.05 0.00 0.38 0.00 0.00 41.96 42.84 2k36 s TYR 86 CO 0.00 -0.46 0.41 0.42 -1.52 0.00 0.00 175.55 174.40 2k36 s ILE 87 N -1.44 -0.02 -0.18 -3.49 -1.09 -1.26 -4.99 121.20 108.73 2k36 s ILE 87 Ca -0.04 0.06 -0.09 0.00 -2.23 0.00 0.00 60.65 58.35 2k36 s ILE 87 Cb -0.00 -0.60 -0.05 0.00 -1.58 0.00 0.00 42.46 40.23 2k36 s ILE 87 CO 0.03 0.02 0.13 0.21 -1.23 0.00 0.00 174.94 174.10 2k36 s ASN 88 N 0.99 6.21 0.17 3.58 3.84 -1.26 -5.10 114.94 123.38 2k36 s ASN 88 Ca -0.06 0.27 0.03 0.00 0.21 0.00 0.00 52.86 53.31 2k36 s ASN 88 Cb -0.06 -2.08 -0.03 0.00 -0.55 0.00 0.00 41.25 38.53 2k36 s ASN 88 CO -0.08 0.23 0.30 -0.36 -2.79 0.00 0.00 177.10 174.40 2k36 s PHE 89 N 0.07 3.47 0.12 0.43 0.08 -1.26 -5.10 117.98 115.78 2k36 s PHE 89 Ca 0.09 0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.28 2k36 s PHE 89 Cb -0.11 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2k36 s PHE 89 CO -0.01 0.50 0.01 0.95 -0.10 0.00 0.00 175.22 176.57 2k36 s THR 90 N -1.80 3.98 0.00 0.64 -4.23 -1.26 -5.02 115.64 107.94 2k36 s THR 90 Ca 0.34 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2k36 s THR 90 Cb -0.10 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2k36 s THR 90 CO 0.28 0.04 0.00 1.17 -0.54 0.00 0.00 174.62 175.58 2k36 n LYS 91 N 0.32 0.00 -0.95 3.99 4.81 -1.26 -4.91 118.16 120.15 2k36 n LYS 91 Ca -0.10 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.14 2k36 n LYS 91 Cb 0.53 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.63 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 -2.03 2.89 -1.97 3.15 0.24 -1.26 -4.90 118.33 114.45 2k36 n VAL 92 Ca 0.00 -1.83 0.00 0.00 -2.04 0.00 0.00 64.34 60.47 2k36 n VAL 92 Cb 0.00 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.10 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 0.10 0.00 -3.89 6.34 8.25 -1.26 -5.13 115.22 119.64 2k36 n HIS 93 Ca 0.35 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.57 2k36 n HIS 93 Cb 0.62 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.38 6.34 0.30 0.41 1.01 -1.26 -4.93 116.67 118.15 2k36 s ASP 94 Ca 0.00 0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.49 2k36 s ASP 94 Cb 0.00 -1.91 0.75 0.00 1.01 0.00 0.00 42.92 42.76 2k36 s ASP 94 CO 0.00 -0.02 1.72 -0.61 0.21 0.00 0.00 175.17 176.48 2k36 h GLN 95 N 1.75 0.50 -0.91 8.23 4.15 -1.99 0.35 115.11 127.18 2k36 h GLN 95 Ca -0.50 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 58.96 2k36 h GLN 95 Cb 1.21 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.73 2k36 h GLN 95 CO 0.66 0.33 0.59 1.49 -1.93 0.00 0.00 178.83 179.97 2k36 h GLU 96 N 0.51 1.02 0.01 1.69 4.81 -1.99 0.25 114.58 120.89 2k36 h GLU 96 Ca 0.57 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 59.49 2k36 h GLU 96 Cb 1.04 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 30.20 2k36 h GLU 96 CO -0.48 0.68 -1.02 1.03 -0.73 0.00 0.00 179.01 178.49 2k36 h SER 97 N 1.05 0.72 -0.11 1.04 0.87 -1.05 -1.13 113.55 114.94 2k36 h SER 97 Ca 0.39 -0.59 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2k36 h SER 97 Cb 0.18 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2k36 h SER 97 CO -0.14 1.39 0.06 -0.07 -0.53 0.00 0.00 176.83 177.54 2k36 h LEU 98 N 0.30 0.13 -0.84 2.23 -0.00 0.44 -1.35 115.31 116.22 2k36 h LEU 98 Ca -0.11 -0.07 -0.05 0.00 -0.00 0.00 0.00 57.88 57.66 2k36 h LEU 98 Cb 1.67 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 42.26 2k36 h LEU 98 CO 0.19 0.16 0.30 -0.26 -0.00 0.00 0.00 178.44 178.83 2k36 h PHE 99 N 0.10 1.18 -0.77 1.13 -1.00 -0.58 -2.63 116.94 114.37 2k36 h PHE 99 Ca 0.04 -0.09 0.07 0.00 2.81 0.00 0.00 57.97 60.80 2k36 h PHE 99 Cb 0.05 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 39.21 2k36 h PHE 99 CO -0.05 0.89 0.50 0.00 -1.61 0.00 0.00 178.31 178.05 2k36 h ALA 100 N 1.20 1.67 0.00 2.45 0.00 -0.75 -1.36 119.26 122.47 2k36 h ALA 100 Ca 0.26 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2k36 h ALA 100 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k36 h ALA 100 CO -0.02 0.20 -0.44 1.15 0.00 0.00 0.00 179.25 180.14 2k36 h THR 101 N 0.81 1.23 0.07 0.00 2.02 -0.87 -0.92 112.91 115.23 2k36 h THR 101 Ca 0.33 -1.56 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 2k36 h THR 101 Cb 0.27 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2k36 h THR 101 CO -0.12 0.43 -0.03 0.40 0.37 0.00 0.00 175.52 176.58 2k36 h ILE 102 N 0.00 1.24 -0.59 3.11 5.03 -1.25 -3.03 117.51 122.03 2k36 h ILE 102 Ca -0.00 -1.32 -0.09 0.00 -0.12 0.00 0.00 64.86 63.33 2k36 h ILE 102 Cb 0.82 2.07 -0.02 0.00 -3.03 0.00 0.00 36.82 36.66 2k36 h ILE 102 CO 0.06 0.31 0.03 1.23 -0.68 0.00 0.00 178.15 179.10 2k36 h GLY 103 N -0.71 1.08 0.96 5.37 0.00 -1.28 0.56 103.07 109.05 2k36 h GLY 103 Ca -0.01 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.59 2k36 h GLY 103 CO 0.01 0.70 0.65 1.19 0.00 0.00 0.00 176.54 179.09 2k36 h ILE 104 N 0.93 1.22 0.00 2.60 6.09 -1.29 -0.55 117.51 126.51 2k36 h ILE 104 Ca 0.17 -0.45 -0.10 0.00 -1.37 0.00 0.00 64.86 63.11 2k36 h ILE 104 Cb 0.50 -0.19 -0.01 0.00 0.47 0.00 0.00 36.82 37.58 2k36 h ILE 104 CO 0.02 0.24 -0.50 0.00 -3.07 0.00 0.00 178.15 174.84 2k36 h ALA 106 N 1.50 0.74 0.00 0.00 0.00 0.63 -1.44 119.26 120.69 2k36 h ALA 106 Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 2k36 h ALA 106 Cb 1.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2k36 h ALA 106 CO 0.06 0.66 -0.55 -0.22 0.00 0.00 0.00 179.25 179.21 2k36 h LYS 107 N 0.55 0.00 0.06 0.00 3.64 -1.25 -2.86 116.57 116.71 2k36 h LYS 107 Ca 0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2k36 h LYS 107 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2k36 h LYS 107 CO 0.09 0.55 -0.03 0.82 -2.27 0.00 0.00 179.45 178.61 2k36 h ILE 108 N 0.00 1.26 -0.29 2.00 2.04 -1.40 -2.55 117.51 118.57 2k36 h ILE 108 Ca -0.01 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 2k36 h ILE 108 Cb 1.03 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2k36 h ILE 108 CO 0.07 0.31 0.18 0.00 0.00 0.00 0.00 178.15 178.71 2k36 h THR 109 N -0.66 1.08 0.25 -0.27 1.03 -1.29 -2.93 112.91 110.13 2k36 h THR 109 Ca -0.01 -0.18 -0.33 0.00 -0.01 0.00 0.00 66.41 65.88 2k36 h THR 109 Cb 0.56 0.67 0.04 0.00 -1.07 0.00 0.00 68.15 68.34 2k36 h THR 109 CO 0.01 0.09 -1.47 1.05 -0.01 0.00 0.00 175.52 175.19 2k36 h GLU 110 N 0.40 0.52 -0.36 0.00 4.11 -1.54 -3.32 114.58 114.38 2k36 h GLU 110 Ca 0.11 -0.89 0.11 0.00 0.07 0.00 0.00 59.36 58.75 2k36 h GLU 110 Cb -0.02 0.33 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k36 h GLU 110 CO -0.02 1.43 0.27 1.25 0.07 0.00 0.00 179.01 182.01 2k36 h HIS 111 N 0.14 0.00 0.00 2.06 2.76 -1.25 0.23 115.15 119.09 2k36 h HIS 111 Ca -0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2k36 h HIS 111 Cb 2.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.12 2k36 h HIS 111 CO 0.12 0.00 0.00 -1.49 -1.30 0.00 0.00 177.93 175.26 2k36 h TRP 112 N 0.00 0.00 -0.40 5.26 6.55 -1.66 -3.31 115.95 122.39 2k36 h TRP 112 Ca 0.17 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.95 2k36 h TRP 112 Cb 0.72 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.01 2k36 h TRP 112 CO 0.00 0.00 0.02 0.78 -1.05 0.00 0.00 178.44 178.19 2k36 h GLY 113 N 2.32 0.75 0.21 1.49 0.00 -1.13 0.77 103.07 107.47 2k36 h GLY 113 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2k36 h GLY 113 CO 0.00 0.50 -0.35 -0.97 0.00 0.00 0.00 176.54 175.71 2k36 h TYR 114 N 0.53 -1.01 -0.25 5.60 0.05 -1.75 -3.11 116.97 117.03 2k36 h TYR 114 Ca 0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2k36 h TYR 114 Cb 0.45 0.41 0.00 0.00 1.01 0.00 0.00 36.73 38.60 2k36 h TYR 114 CO 0.03 -0.43 0.00 0.36 -1.05 0.00 0.00 178.16 177.07 2k36 n LYS 115 N -4.49 2.86 -2.89 4.88 2.85 -1.26 -4.88 118.16 115.23 2k36 n LYS 115 Ca -0.07 -2.80 -0.05 0.00 -1.05 0.00 0.00 58.31 54.34 2k36 n LYS 115 Cb 0.30 -1.81 0.01 0.00 -0.65 0.00 0.00 35.03 32.87 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 -0.50 -1.91 -4.02 -1.58 4.76 -0.41 -5.01 118.16 109.49 2k36 n LYS 116 Ca 0.21 1.84 -0.25 0.00 -2.87 0.00 0.00 58.31 57.24 2k36 n LYS 116 Cb 0.86 -5.59 -0.04 0.00 -1.84 0.00 0.00 35.03 28.43 2k36 n LYS 116 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2k36 s ILE 117 N -2.73 4.89 -0.28 -0.18 1.01 0.13 -4.86 121.20 119.18 2k36 s ILE 117 Ca 0.15 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 2k36 s ILE 117 Cb -0.04 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2k36 s ILE 117 CO 0.74 -0.17 0.01 -1.20 0.00 0.00 0.00 174.94 174.32 2k36 n SER 118 N -0.70 -7.92 -0.95 3.58 7.64 -1.26 -4.80 113.62 109.21 2k36 n SER 118 Ca -0.08 1.33 0.04 0.00 1.01 0.00 0.00 58.87 61.18 2k36 n SER 118 Cb 0.55 -5.02 0.23 0.00 -1.01 0.00 0.00 64.21 58.97 2k36 n SER 118 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k36 n GLU 119 N 0.74 2.46 -2.27 1.43 2.13 -1.26 -4.95 120.64 118.93 2k36 n GLU 119 Ca 0.00 -2.94 -0.40 0.00 0.66 0.00 0.00 57.16 54.49 2k36 n GLU 119 Cb 0.06 -1.82 -0.03 0.00 0.27 0.00 0.00 31.44 29.92 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 -2.18 5.71 -1.27 4.31 0.01 -1.26 -4.91 113.70 114.10 2k36 s SER 120 Ca 0.43 0.06 -0.19 0.00 1.31 0.00 0.00 55.95 57.55 2k36 s SER 120 Cb 0.36 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 64.07 2k36 s SER 120 CO 0.06 -2.09 1.82 0.54 0.41 0.00 0.00 173.24 173.97 2k36 n ARG 121 N 9.19 2.77 -3.46 12.44 1.74 -1.26 -4.80 116.66 133.28 2k36 n ARG 121 Ca 0.13 -3.02 -0.18 0.00 -0.77 0.00 0.00 57.85 54.02 2k36 n ARG 121 Cb 0.51 -3.53 -0.12 0.00 -1.02 0.00 0.00 32.46 28.30 2k36 n ARG 121 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2k36 s PHE 122 N 5.74 -0.33 0.27 -1.55 5.36 -1.26 -5.15 117.98 121.07 2k36 s PHE 122 Ca 0.57 0.13 -0.06 0.00 -0.96 0.00 0.00 56.93 56.61 2k36 s PHE 122 Cb 0.04 -0.38 -0.06 0.00 -0.34 0.00 0.00 43.02 42.28 2k36 s PHE 122 CO 0.08 -0.69 0.55 -0.65 -1.46 0.00 0.00 175.22 173.05 2k36 s GLN 123 N 2.34 3.67 0.00 10.12 -1.52 -1.26 -5.10 119.66 127.91 2k36 s GLN 123 Ca 0.08 0.06 0.02 0.00 -1.95 0.00 0.00 55.36 53.57 2k36 s GLN 123 Cb -0.15 -2.65 -0.01 0.00 -0.22 0.00 0.00 33.01 29.98 2k36 s GLN 123 CO -0.18 0.24 -0.06 0.45 -0.25 0.00 0.00 175.29 175.49 2k36 s SER 124 N -2.97 0.74 0.00 5.90 0.15 -1.26 -4.86 113.70 111.40 2k36 s SER 124 Ca 0.45 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2k36 s SER 124 Cb -0.11 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2k36 s SER 124 CO 0.28 0.03 0.00 -0.11 1.20 0.00 0.00 173.24 174.64 2k36 n LEU 125 N 2.69 0.00 0.00 3.45 7.94 -1.26 -4.62 117.00 125.20 2k36 n LEU 125 Ca -0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 2k36 n LEU 125 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2k36 n LEU 125 CO 0.25 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 2k36 n GLY 126 N 0.00 -0.35 3.86 -3.96 0.00 -1.26 -5.05 105.19 98.42 2k36 n GLY 126 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 2k36 n GLY 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k36 s ASN 127 N -4.00 4.53 0.47 1.61 2.47 -1.26 -4.89 114.94 113.86 2k36 s ASN 127 Ca 0.00 -1.29 0.14 0.00 0.42 0.00 0.00 52.86 52.13 2k36 s ASN 127 Cb 0.00 0.32 1.11 0.00 -1.45 0.00 0.00 41.25 41.22 2k36 s ASN 127 CO 0.00 -0.99 2.06 0.16 -3.72 0.00 0.00 177.10 174.61 2k36 h ILE 128 N 0.94 0.96 0.00 -5.21 3.07 -1.97 0.03 117.51 115.34 2k36 h ILE 128 Ca -0.39 -0.09 -0.03 0.00 1.55 0.00 0.00 64.86 65.90 2k36 h ILE 128 Cb 1.30 0.67 -0.00 0.00 -0.27 0.00 0.00 36.82 38.52 2k36 h ILE 128 CO 0.62 0.05 -0.14 0.71 -1.05 0.00 0.00 178.15 178.34 2k36 h THR 129 N 0.27 0.44 -0.00 0.16 1.35 -1.94 -2.76 112.91 110.43 2k36 h THR 129 Ca 0.15 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2k36 h THR 129 Cb 0.27 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2k36 h THR 129 CO -0.03 0.14 -0.05 0.47 -0.25 0.00 0.00 175.52 175.80 2k36 n ASP 130 N -3.42 0.34 -0.07 5.36 9.92 -0.00 -3.26 116.55 125.42 2k36 n ASP 130 Ca -0.01 -0.66 0.15 0.00 -0.53 0.00 0.00 54.79 53.74 2k36 n ASP 130 Cb 0.32 -0.10 0.69 0.00 -0.64 0.00 0.00 41.12 41.40 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 -0.95 0.27 -4.11 0.64 0.00 -1.04 -4.80 117.00 107.01 2k36 n LEU 131 Ca 0.17 0.10 -0.10 0.00 0.00 0.00 0.00 56.01 56.18 2k36 n LEU 131 Cb 0.24 -0.20 -0.10 0.00 0.00 0.00 0.00 43.42 43.35 2k36 n LEU 131 CO 0.22 0.05 -0.38 0.00 0.00 0.00 0.00 177.39 177.27 2k36 s MET 132 N -2.46 0.67 0.56 1.96 0.23 -1.20 -4.88 119.30 114.17 2k36 s MET 132 Ca 0.30 -1.10 0.01 0.00 -1.03 0.00 0.00 55.69 53.87 2k36 s MET 132 Cb 0.20 -0.12 0.11 0.00 -1.53 0.00 0.00 34.83 33.49 2k36 s MET 132 CO 0.46 -0.02 0.77 0.25 -2.03 0.00 0.00 175.02 174.45 2k36 n THR 133 N 0.52 0.00 0.06 3.16 -2.24 -1.26 -4.96 114.28 109.56 2k36 n THR 133 Ca -0.16 -1.28 -0.10 0.00 -2.27 0.00 0.00 64.05 60.23 2k36 n THR 133 Cb 0.59 -0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.40 0.14 1.45 3.42 2.03 -2.00 -2.86 116.42 118.19 2k36 h ASP 134 Ca -0.25 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2k36 h ASP 134 Cb 0.97 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 2k36 h ASP 134 CO 0.28 1.13 0.00 -0.78 -1.03 0.00 0.00 179.24 178.84 2k36 h ASP 135 N 0.02 0.00 0.64 4.15 3.58 -2.00 -2.67 116.42 120.15 2k36 h ASP 135 Ca -0.09 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.19 2k36 h ASP 135 Cb 1.87 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.90 2k36 h ASP 135 CO 0.14 0.00 -0.80 -1.13 -2.88 0.00 0.00 179.24 174.58 2k36 h ASN 136 N 0.00 0.15 -0.77 2.28 -0.73 -1.88 -0.84 115.58 113.79 2k36 h ASN 136 Ca 0.00 -0.11 0.03 0.00 1.87 0.00 0.00 56.30 58.09 2k36 h ASN 136 Cb 0.72 -0.04 -0.05 0.00 0.27 0.00 0.00 38.32 39.22 2k36 h ASN 136 CO 0.00 0.88 0.49 0.40 -0.37 0.00 0.00 177.43 178.83 2k36 h ILE 137 N 0.07 1.12 -0.25 2.57 5.03 -1.48 0.38 117.51 124.95 2k36 h ILE 137 Ca -0.02 -0.33 -0.05 0.00 -0.12 0.00 0.00 64.86 64.33 2k36 h ILE 137 Cb 1.40 0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 35.26 2k36 h ILE 137 CO 0.11 0.17 -0.06 0.78 -0.68 0.00 0.00 178.15 178.48 2k36 h ASN 138 N 0.96 0.48 -0.89 1.72 2.35 -1.34 -1.15 115.58 117.70 2k36 h ASN 138 Ca 0.31 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2k36 h ASN 138 Cb 0.01 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2k36 h ASN 138 CO -0.11 0.73 0.52 0.40 -1.65 0.00 0.00 177.43 177.32 2k36 h ILE 139 N 0.22 1.25 0.20 2.81 2.04 -0.71 -1.48 117.51 121.84 2k36 h ILE 139 Ca 0.06 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2k36 h ILE 139 Cb 0.52 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2k36 h ILE 139 CO 0.02 0.27 -0.10 0.25 0.00 0.00 0.00 178.15 178.60 2k36 h LEU 140 N 1.24 -0.23 -0.61 1.44 7.12 -0.07 0.70 115.31 124.90 2k36 h LEU 140 Ca 0.32 -0.13 0.12 0.00 0.13 0.00 0.00 57.88 58.32 2k36 h LEU 140 Cb -0.02 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.08 2k36 h LEU 140 CO -0.06 -0.00 0.09 0.40 -0.13 0.00 0.00 178.44 178.74 2k36 h ILE 141 N -0.44 0.59 -0.05 4.05 1.08 -0.99 0.27 117.51 122.02 2k36 h ILE 141 Ca -0.03 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2k36 h ILE 141 Cb 0.34 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2k36 h ILE 141 CO 0.04 0.04 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.47 2k36 h LEU 142 N 0.21 0.09 -0.36 1.44 4.07 -0.87 0.26 115.31 120.15 2k36 h LEU 142 Ca 0.32 -0.32 0.05 0.00 0.08 0.00 0.00 57.88 58.01 2k36 h LEU 142 Cb 0.50 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.18 2k36 h LEU 142 CO -0.45 0.39 0.11 0.15 -1.08 0.00 0.00 178.44 177.56 2k36 h PHE 143 N -0.22 0.19 -0.46 1.13 3.57 0.80 -2.29 116.94 119.66 2k36 h PHE 143 Ca 0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2k36 h PHE 143 Cb 0.34 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2k36 h PHE 143 CO 0.04 0.07 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.04 2k36 h LEU 144 N 0.25 0.87 -1.98 0.59 3.38 -0.85 -3.02 115.31 114.54 2k36 h LEU 144 Ca 0.16 -0.34 0.12 0.00 0.09 0.00 0.00 57.88 57.91 2k36 h LEU 144 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2k36 h LEU 144 CO -0.18 1.01 0.44 -0.33 0.09 0.00 0.00 178.44 179.46 2k36 h GLU 145 N 0.71 0.00 -1.00 1.13 5.08 0.11 1.18 114.58 121.78 2k36 h GLU 145 Ca 0.12 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.70 2k36 h GLU 145 Cb 0.61 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 2k36 h GLU 145 CO 0.04 0.00 0.62 0.87 -1.00 0.00 0.00 179.01 179.54 2k36 h LYS 146 N 0.00 0.56 0.00 2.33 1.79 -1.38 -2.97 116.57 116.91 2k36 h LYS 146 Ca 0.20 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2k36 h LYS 146 Cb 1.08 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 2k36 h LYS 146 CO -0.00 0.37 -0.05 1.63 -1.08 0.00 0.00 179.45 180.32 2k36 n LYS 147 N -4.71 6.53 -2.89 3.15 5.02 0.20 -5.03 118.16 120.44 2k36 n LYS 147 Ca 0.24 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.32 2k36 n LYS 147 Cb 0.71 -0.51 0.07 0.00 -0.02 0.00 0.00 35.03 35.27 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 -2.00 3.11 0.00 -0.35 1.43 0.35 -5.05 118.68 116.17 2k36 s LEU 148 Ca 0.00 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2k36 s LEU 148 Cb 0.00 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2k36 s LEU 148 CO 0.00 -1.46 0.00 -3.20 0.23 0.00 0.00 176.35 171.92