#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k36 n ALA 2 N 0.00 -2.58 -3.41 3.04 0.00 -1.26 -4.95 120.51 111.35 2k36 n ALA 2 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 53.44 53.79 2k36 n ALA 2 Cb 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 18.51 2k36 n ALA 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k36 n THR 3 N -3.71 -6.88 -0.02 0.00 -1.04 -1.26 -4.92 114.28 96.45 2k36 n THR 3 Ca -0.04 -0.80 -0.01 0.00 -2.04 0.00 0.00 64.05 61.16 2k36 n THR 3 Cb 0.46 -5.35 -0.13 0.00 -1.82 0.00 0.00 70.33 63.50 2k36 n THR 3 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2k36 n LYS 4 N -3.86 0.65 -3.69 -2.82 4.81 -1.26 -4.63 118.16 107.37 2k36 n LYS 4 Ca -0.21 0.05 -0.38 0.00 -0.87 0.00 0.00 58.31 56.90 2k36 n LYS 4 Cb 0.65 -1.65 -0.10 0.00 0.02 0.00 0.00 35.03 33.95 2k36 n LYS 4 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k36 s LEU 5 N -5.42 5.43 0.00 3.14 2.01 -1.26 -5.00 118.68 117.58 2k36 s LEU 5 Ca -0.07 -2.13 0.00 0.00 0.01 0.00 0.00 54.13 51.95 2k36 s LEU 5 Cb 0.09 -1.90 0.00 0.00 0.01 0.00 0.00 46.19 44.39 2k36 s LEU 5 CO 0.84 -0.57 0.00 -0.90 1.01 0.00 0.00 176.35 176.73 2k36 n ASP 6 N 4.52 0.00 -3.86 2.29 5.68 -1.26 -4.84 116.55 119.08 2k36 n ASP 6 Ca -0.02 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.98 2k36 n ASP 6 Cb 0.41 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.28 2k36 n ASP 6 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k36 n TYR 7 N 0.00 3.41 -0.07 2.11 4.11 -1.26 -4.56 117.16 120.90 2k36 n TYR 7 Ca 0.00 -4.27 -0.20 0.00 -0.00 0.00 0.00 57.90 53.43 2k36 n TYR 7 Cb 0.00 -0.68 -0.12 0.00 -0.00 0.00 0.00 39.34 38.54 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 5.28 0.07 -1.06 -3.48 5.08 -1.99 -3.30 114.58 115.17 2k36 h GLU 8 Ca 0.16 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2k36 h GLU 8 Cb 0.74 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k36 h GLU 8 CO 0.75 1.06 0.00 -0.25 -1.00 0.00 0.00 179.01 179.57 2k36 n ASP 9 N -4.30 2.18 -4.40 1.42 9.92 -1.26 -4.63 116.55 115.49 2k36 n ASP 9 Ca -0.27 -1.75 -0.28 0.00 -0.53 0.00 0.00 54.79 51.97 2k36 n ASP 9 Cb 0.72 -0.44 -0.08 0.00 -0.64 0.00 0.00 41.12 40.68 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 0.44 1.55 -0.06 2.24 0.00 -1.25 -4.68 120.51 118.75 2k36 n ALA 10 Ca 0.00 -2.85 -0.15 0.00 0.00 0.00 0.00 53.44 50.44 2k36 n ALA 10 Cb 0.38 -3.48 -0.06 0.00 0.00 0.00 0.00 19.45 16.29 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 6.00 1.31 -3.03 0.00 3.04 -1.94 -3.45 116.25 118.18 2k36 h VAL 11 Ca 0.19 -1.71 -0.58 0.00 -1.01 0.00 0.00 66.70 63.59 2k36 h VAL 11 Cb 0.90 1.82 0.14 0.00 -2.01 0.00 0.00 31.29 32.15 2k36 h VAL 11 CO 1.31 0.54 -0.00 2.22 -1.01 0.00 0.00 177.57 180.63 2k36 n PHE 12 N -4.14 0.61 -0.08 3.17 1.16 -1.26 -4.95 117.46 111.96 2k36 n PHE 12 Ca -0.06 0.53 -0.15 0.00 -1.87 0.00 0.00 57.45 55.90 2k36 n PHE 12 Cb 0.59 -2.14 -0.07 0.00 -1.61 0.00 0.00 39.48 36.26 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 -0.94 0.00 1.53 2.97 9.36 -1.26 -4.48 117.16 124.34 2k36 n TYR 13 Ca 0.11 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.47 2k36 n TYR 13 Cb 0.42 -0.61 0.71 0.00 -0.63 0.00 0.00 39.34 39.22 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 -3.44 0.00 -0.32 2.98 3.72 -1.26 -3.81 117.46 115.32 2k36 n PHE 14 Ca -0.31 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.15 2k36 n PHE 14 Cb 0.76 -0.16 0.15 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.42 0.10 -0.15 -4.37 3.04 -1.98 -1.62 116.25 111.68 2k36 h VAL 15 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2k36 h VAL 15 Cb 0.28 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 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 -5.55 3.22 -0.22 3.17 2.03 -1.25 0.72 116.55 118.67 2k36 n ASP 16 Ca 0.15 -3.03 0.16 0.00 0.52 0.00 0.00 54.79 52.59 2k36 n ASP 16 Cb 0.51 -0.49 0.47 0.00 -0.72 0.00 0.00 41.12 40.89 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 1.04 0.47 0.00 1.67 3.58 -1.43 -3.40 116.42 118.36 2k36 h ASP 17 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k36 h ASP 17 Cb 1.25 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2k36 h ASP 17 CO 0.13 0.22 0.00 -0.67 -2.88 0.00 0.00 179.24 176.04 2k36 n ASP 18 N -4.52 0.00 -4.76 2.28 -0.08 -1.26 -4.87 116.55 103.34 2k36 n ASP 18 Ca 0.17 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.20 2k36 n ASP 18 Cb 0.58 -0.02 -0.07 0.00 2.34 0.00 0.00 41.12 43.95 2k36 n ASP 18 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2k36 s LYS 19 N 0.00 2.23 0.52 -0.67 -2.85 -1.26 -4.27 119.74 113.45 2k36 s LYS 19 Ca 0.00 -1.90 -0.14 0.00 -1.00 0.00 0.00 55.97 52.93 2k36 s LYS 19 Cb 0.00 -1.97 -0.07 0.00 -2.06 0.00 0.00 37.83 33.73 2k36 s LYS 19 CO 0.00 -0.19 0.96 -1.50 0.10 0.00 0.00 175.35 174.72 2k36 s ILE 20 N -2.64 4.62 0.00 3.79 1.10 -1.26 -4.66 121.20 122.15 2k36 s ILE 20 Ca 0.38 1.04 0.00 0.00 -0.51 0.00 0.00 60.65 61.56 2k36 s ILE 20 Cb 0.03 -3.76 0.00 0.00 0.15 0.00 0.00 42.46 38.88 2k36 s ILE 20 CO 0.21 -0.78 0.00 0.00 -2.11 0.00 0.00 174.94 172.26 2k36 s SER 22 N -0.63 4.43 0.33 0.00 0.15 -1.26 -4.91 113.70 111.80 2k36 s SER 22 Ca 0.00 2.04 0.03 0.00 0.70 0.00 0.00 55.95 58.72 2k36 s SER 22 Cb 0.00 -2.55 0.62 0.00 -1.71 0.00 0.00 66.02 62.38 2k36 s SER 22 CO 0.00 -2.09 1.92 0.03 1.20 0.00 0.00 173.24 174.30 2k36 h ARG 23 N -0.67 0.89 0.00 5.44 3.08 -2.00 -0.84 114.38 120.28 2k36 h ARG 23 Ca -0.45 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2k36 h ARG 23 Cb 1.25 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2k36 h ARG 23 CO 0.51 0.59 0.00 -3.47 -1.07 0.00 0.00 179.97 176.52 2k36 n ASP 24 N -4.49 0.00 -0.00 7.04 2.03 -1.26 -2.72 116.55 117.15 2k36 n ASP 24 Ca 0.13 -0.51 0.08 0.00 0.52 0.00 0.00 54.79 55.01 2k36 n ASP 24 Cb 0.23 -0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.41 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 -1.12 0.83 -0.09 1.67 2.88 -0.33 -3.70 113.62 113.77 2k36 n SER 25 Ca 0.17 -0.89 0.13 0.00 -1.33 0.00 0.00 58.87 56.94 2k36 n SER 25 Cb 0.14 1.02 0.39 0.00 -0.75 0.00 0.00 64.21 65.01 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 -1.44 0.00 0.12 2.46 2.08 -1.10 -2.75 119.36 118.73 2k36 n ILE 26 Ca 0.03 -0.05 -0.11 0.00 0.56 0.00 0.00 62.75 63.18 2k36 n ILE 26 Cb 0.28 0.15 -0.07 0.00 -0.75 0.00 0.00 39.64 39.25 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 0.44 0.63 -0.16 1.39 1.08 -1.69 -1.85 117.51 117.35 2k36 h ILE 27 Ca 0.00 -0.86 -0.17 0.00 -0.39 0.00 0.00 64.86 63.44 2k36 h ILE 27 Cb 0.48 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2k36 h ILE 27 CO 0.00 0.14 -0.60 0.44 -0.69 0.00 0.00 178.15 177.44 2k36 h ASP 28 N -0.89 0.62 -0.32 1.72 5.19 -1.73 -3.29 116.42 117.70 2k36 h ASP 28 Ca -0.04 -0.35 0.07 0.00 -0.62 0.00 0.00 57.03 56.10 2k36 h ASP 28 Cb 0.51 -0.18 -0.08 0.00 0.18 0.00 0.00 39.33 39.76 2k36 h ASP 28 CO 0.06 1.07 -0.23 0.25 -3.12 0.00 0.00 179.24 177.28 2k36 h LEU 29 N 0.41 -0.75 -1.98 1.55 5.85 -1.51 0.24 115.31 119.12 2k36 h LEU 29 Ca -0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2k36 h LEU 29 Cb 1.16 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 2k36 h LEU 29 CO 0.11 -0.26 -0.06 0.40 -0.34 0.00 0.00 178.44 178.29 2k36 h ILE 30 N -0.19 0.92 -0.02 4.05 1.08 -1.40 0.39 117.51 122.34 2k36 h ILE 30 Ca 0.16 -0.21 -0.15 0.00 -0.39 0.00 0.00 64.86 64.27 2k36 h ILE 30 Cb 0.45 1.12 0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2k36 h ILE 30 CO -0.44 0.06 -0.58 -0.78 -0.69 0.00 0.00 178.15 175.72 2k36 h ASP 31 N 0.00 0.54 -0.02 1.72 1.82 -1.25 -3.14 116.42 116.09 2k36 h ASP 31 Ca -0.00 -0.74 0.01 0.00 -0.39 0.00 0.00 57.03 55.91 2k36 h ASP 31 Cb 0.11 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 2k36 h ASP 31 CO 0.01 1.21 -0.05 -0.33 -1.61 0.00 0.00 179.24 178.47 2k36 h GLU 32 N -0.07 -0.07 0.75 0.28 4.39 0.99 -2.75 114.58 118.10 2k36 h GLU 32 Ca -0.07 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2k36 h GLU 32 Cb 1.28 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2k36 h GLU 32 CO 0.12 -0.05 -0.36 -0.92 -1.16 0.00 0.00 179.01 176.64 2k36 h TYR 33 N -0.07 -0.93 -0.92 4.33 3.20 -0.38 0.55 116.97 122.75 2k36 h TYR 33 Ca 0.03 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.10 2k36 h TYR 33 Cb 0.11 0.31 -0.12 0.00 1.54 0.00 0.00 36.73 38.57 2k36 h TYR 33 CO -0.13 -0.56 0.44 0.82 -1.64 0.00 0.00 178.16 177.09 2k36 h ILE 34 N -1.09 0.49 -0.24 1.81 1.08 -1.65 0.23 117.51 118.15 2k36 h ILE 34 Ca -0.10 -0.15 -0.13 0.00 -0.39 0.00 0.00 64.86 64.08 2k36 h ILE 34 Cb 0.78 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 2k36 h ILE 34 CO 0.17 0.08 -0.39 0.74 -0.69 0.00 0.00 178.15 178.06 2k36 h THR 35 N 0.45 1.30 -0.55 -0.27 2.02 -1.04 -3.10 112.91 111.72 2k36 h THR 35 Ca 0.58 -1.55 -0.12 0.00 0.77 0.00 0.00 66.41 66.10 2k36 h THR 35 Cb 1.09 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 2k36 h THR 35 CO -0.51 0.49 -0.11 -0.25 0.37 0.00 0.00 175.52 175.50 2k36 h TRP 36 N 0.45 1.17 -0.40 3.16 7.01 0.28 -0.48 115.95 127.14 2k36 h TRP 36 Ca 0.04 -0.24 0.12 0.00 2.11 0.00 0.00 58.89 60.92 2k36 h TRP 36 Cb 0.88 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.64 2k36 h TRP 36 CO 0.03 1.07 0.36 0.00 -2.79 0.00 0.00 178.44 177.12 2k36 h ARG 37 N 0.92 0.00 0.10 2.65 2.47 -0.61 -0.70 114.38 119.22 2k36 h ARG 37 Ca 0.14 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.60 2k36 h ARG 37 Cb 0.68 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.00 2k36 h ARG 37 CO 0.05 0.00 -1.32 -0.97 0.56 0.00 0.00 179.97 178.29 2k36 h ASN 38 N 0.00 0.34 -0.79 7.04 -0.73 -1.28 -3.34 115.58 116.83 2k36 h ASN 38 Ca 0.19 -0.84 0.14 0.00 1.87 0.00 0.00 56.30 57.66 2k36 h ASN 38 Cb 0.91 -0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.34 2k36 h ASN 38 CO -0.00 1.57 0.52 0.45 -0.37 0.00 0.00 177.43 179.60 2k36 h HIS 39 N -0.38 0.59 -0.10 0.67 3.86 0.15 0.32 115.15 120.26 2k36 h HIS 39 Ca -0.29 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2k36 h HIS 39 Cb 1.69 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.97 2k36 h HIS 39 CO 0.13 0.23 0.06 0.28 0.86 0.00 0.00 177.93 179.49 2k36 h VAL 40 N 0.51 1.03 0.00 2.45 2.07 -1.30 -2.84 116.25 118.17 2k36 h VAL 40 Ca 0.39 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.85 2k36 h VAL 40 Cb 0.78 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2k36 h VAL 40 CO -0.14 0.03 -0.16 0.40 0.02 0.00 0.00 177.57 177.72 2k36 h ILE 41 N 0.13 0.00 -0.59 4.57 1.08 -0.55 0.34 117.51 122.49 2k36 h ILE 41 Ca 0.03 -0.73 0.12 0.00 -0.39 0.00 0.00 64.86 63.89 2k36 h ILE 41 Cb -0.01 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.63 2k36 h ILE 41 CO -0.01 0.00 -0.16 -0.37 -0.69 0.00 0.00 178.15 176.92 2k36 h VAL 42 N -0.73 0.39 -0.00 1.67 -1.51 -1.36 0.04 116.25 114.74 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 0.16 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 2k36 h VAL 42 CO 0.00 0.00 -0.45 0.49 -1.23 0.00 0.00 177.57 176.38 2k36 n PHE 43 N -5.41 0.00 -3.62 5.19 3.01 -1.07 -4.83 117.46 110.72 2k36 n PHE 43 Ca 0.06 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.31 2k36 n PHE 43 Cb 0.31 -0.20 0.04 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.21 -2.33 -1.71 4.37 2.85 -0.00 -4.77 115.26 112.45 2k36 n ASN 44 Ca 0.08 -0.81 0.00 0.00 -0.11 0.00 0.00 54.58 53.74 2k36 n ASN 44 Cb 0.34 -4.22 0.00 0.00 1.24 0.00 0.00 39.78 37.14 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 -4.13 3.27 -4.19 1.20 5.02 0.11 -4.90 118.16 114.55 2k36 n LYS 45 Ca -0.25 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.86 2k36 n LYS 45 Cb 0.66 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.52 2k36 n LYS 45 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k36 s ASP 46 N -1.19 0.82 0.13 4.39 1.01 -1.26 -4.91 116.67 115.66 2k36 s ASP 46 Ca 0.00 -0.12 0.04 0.00 0.71 0.00 0.00 52.55 53.18 2k36 s ASP 46 Cb 0.00 -0.27 -0.14 0.00 1.01 0.00 0.00 42.92 43.52 2k36 s ASP 46 CO 0.00 0.01 1.30 -0.29 0.21 0.00 0.00 175.17 176.39 2k36 h ILE 47 N 5.63 1.61 0.00 0.77 6.09 -1.98 -3.03 117.51 126.59 2k36 h ILE 47 Ca -0.35 -3.10 0.00 0.00 -1.37 0.00 0.00 64.86 60.05 2k36 h ILE 47 Cb 1.17 2.74 0.00 0.00 0.47 0.00 0.00 36.82 41.20 2k36 h ILE 47 CO 0.49 0.89 0.00 0.71 -3.07 0.00 0.00 178.15 177.17 2k36 h THR 48 N 0.04 0.00 -2.43 2.19 1.35 -2.01 -3.38 112.91 108.67 2k36 h THR 48 Ca -0.04 -0.57 -0.74 0.00 -0.55 0.00 0.00 66.41 64.51 2k36 h THR 48 Cb 1.71 1.51 -0.19 0.00 -1.73 0.00 0.00 68.15 69.44 2k36 h THR 48 CO 0.14 0.00 1.12 -0.55 -0.25 0.00 0.00 175.52 175.98 2k36 s SER 49 N -5.14 7.02 0.00 5.36 0.15 -1.15 -4.84 113.70 115.10 2k36 s SER 49 Ca 0.06 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 53.81 2k36 s SER 49 Cb 0.09 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2k36 s SER 49 CO 0.56 -0.74 0.00 0.00 1.20 0.00 0.00 173.24 174.26 2k36 n GLY 51 N 0.00 1.92 0.20 0.00 0.00 0.22 -4.78 105.19 102.75 2k36 n GLY 51 Ca 0.00 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 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 0.66 -0.84 1.61 3.08 -1.82 -3.07 114.38 114.00 2k36 h ARG 52 Ca -0.10 -0.43 0.16 0.00 0.07 0.00 0.00 59.98 59.69 2k36 h ARG 52 Cb 0.45 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.45 2k36 h ARG 52 CO 0.14 1.05 0.39 1.25 -1.07 0.00 0.00 179.97 181.72 2k36 h LEU 53 N 0.35 0.41 -0.14 3.04 6.46 -1.83 -2.42 115.31 121.18 2k36 h LEU 53 Ca 0.01 0.11 -0.22 0.00 -0.12 0.00 0.00 57.88 57.66 2k36 h LEU 53 Cb 1.03 0.06 0.01 0.00 -0.73 0.00 0.00 40.66 41.03 2k36 h LEU 53 CO 0.09 0.13 -0.76 1.88 -0.62 0.00 0.00 178.44 179.17 2k36 h TYR 54 N 0.52 1.04 -0.96 1.25 -1.99 -1.76 -2.98 116.97 112.09 2k36 h TYR 54 Ca 0.48 -0.46 0.24 0.00 2.00 0.00 0.00 58.73 60.99 2k36 h TYR 54 Cb 0.75 -0.16 -0.07 0.00 2.00 0.00 0.00 36.73 39.26 2k36 h TYR 54 CO -0.12 1.29 0.65 0.87 -0.00 0.00 0.00 178.16 180.85 2k36 h LYS 55 N 0.48 0.28 -0.23 4.88 1.79 -1.36 -0.62 116.57 121.80 2k36 h LYS 55 Ca -0.06 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.21 2k36 h LYS 55 Cb 1.39 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 2k36 h LYS 55 CO 0.16 0.19 -0.59 1.49 -1.08 0.00 0.00 179.45 179.62 2k36 h GLU 56 N 0.29 0.80 -0.81 3.15 4.57 -1.45 -2.57 114.58 118.56 2k36 h GLU 56 Ca 0.50 -0.56 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 2k36 h GLU 56 Cb 1.46 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 30.08 2k36 h GLU 56 CO -0.16 1.18 0.53 -0.07 -1.18 0.00 0.00 179.01 179.31 2k36 h LEU 57 N 0.55 0.71 -1.70 1.64 -0.00 -1.15 -1.07 115.31 114.29 2k36 h LEU 57 Ca -0.01 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 57.96 2k36 h LEU 57 Cb 1.20 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.70 2k36 h LEU 57 CO 0.13 0.43 0.33 0.24 -0.00 0.00 0.00 178.44 179.57 2k36 h MET 58 N 0.79 0.35 0.00 1.13 2.86 -0.90 0.62 114.93 119.80 2k36 h MET 58 Ca 0.37 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 2k36 h MET 58 Cb 0.38 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2k36 h MET 58 CO -0.14 0.23 0.00 0.87 1.06 0.00 0.00 176.91 178.93 2k36 h LYS 59 N 0.36 0.00 0.00 1.72 1.57 -1.08 -1.45 116.57 117.69 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 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2k36 h LYS 59 CO -0.05 0.00 0.00 0.74 -0.57 0.00 0.00 179.45 179.57 2k36 h PHE 60 N 0.00 0.00 -0.39 -1.35 0.04 -0.87 0.87 116.94 115.24 2k36 h PHE 60 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 2k36 h PHE 60 Cb 0.45 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2k36 h PHE 60 CO 0.00 0.00 -0.36 0.22 -0.60 0.00 0.00 178.31 177.57 2k36 h ASP 61 N 0.00 0.97 0.20 2.17 1.82 -1.30 -2.79 116.42 117.49 2k36 h ASP 61 Ca 0.00 -0.43 -0.32 0.00 -0.39 0.00 0.00 57.03 55.89 2k36 h ASP 61 Cb 0.66 -0.27 0.03 0.00 0.68 0.00 0.00 39.33 40.44 2k36 h ASP 61 CO 0.00 1.22 -1.37 -0.78 -1.61 0.00 0.00 179.24 176.70 2k36 h ASP 62 N 0.75 0.87 -0.50 2.28 3.58 -1.38 0.73 116.42 122.76 2k36 h ASP 62 Ca 0.07 -0.86 -0.00 0.00 0.42 0.00 0.00 57.03 56.65 2k36 h ASP 62 Cb 0.94 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 2k36 h ASP 62 CO 0.09 1.66 0.32 1.62 -2.88 0.00 0.00 179.24 180.05 2k36 h VAL 63 N 0.21 1.14 -0.14 2.25 3.04 -0.94 0.30 116.25 122.11 2k36 h VAL 63 Ca -0.22 -0.30 -0.20 0.00 -1.01 0.00 0.00 66.70 64.97 2k36 h VAL 63 Cb 2.05 0.41 0.01 0.00 -2.01 0.00 0.00 31.29 31.75 2k36 h VAL 63 CO 0.26 0.15 -0.68 0.00 -1.01 0.00 0.00 177.57 176.28 2k36 h ALA 64 N 1.65 0.28 -0.76 3.17 0.00 -1.27 0.15 119.26 122.48 2k36 h ALA 64 Ca 0.19 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.62 2k36 h ALA 64 Cb -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2k36 h ALA 64 CO -0.04 0.59 0.50 0.82 0.00 0.00 0.00 179.25 181.12 2k36 h ILE 65 N 0.42 0.97 -0.04 0.00 2.04 0.20 0.55 117.51 121.65 2k36 h ILE 65 Ca -0.04 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2k36 h ILE 65 Cb 1.32 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2k36 h ILE 65 CO 0.14 0.13 -0.12 -0.09 0.00 0.00 0.00 178.15 178.21 2k36 h ARG 66 N 0.72 0.16 0.00 2.37 2.43 -0.32 -2.64 114.38 117.10 2k36 h ARG 66 Ca 0.34 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2k36 h ARG 66 Cb 0.39 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2k36 h ARG 66 CO -0.13 0.73 0.00 0.98 -1.51 0.00 0.00 179.97 180.04 2k36 n TYR 67 N -4.64 0.00 0.04 2.20 4.19 0.52 -4.23 117.16 115.24 2k36 n TYR 67 Ca -0.08 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 60.94 2k36 n TYR 67 Cb 0.37 -0.39 -0.09 0.00 0.49 0.00 0.00 39.34 39.72 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 1.01 0.00 2.98 0.05 -0.15 -3.50 116.97 117.36 2k36 h TYR 68 Ca 0.00 -0.54 0.00 0.00 0.05 0.00 0.00 58.73 58.24 2k36 h TYR 68 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2k36 h TYR 68 CO 0.10 1.37 0.00 0.41 -1.05 0.00 0.00 178.16 179.00 2k36 n GLY 69 N 1.03 2.71 0.28 3.88 0.00 -0.65 -4.40 105.19 108.03 2k36 n GLY 69 Ca -0.10 -1.63 -0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.96 0.13 -0.61 6.09 -1.80 0.21 117.51 122.50 2k36 h ILE 70 Ca 0.00 -0.25 0.01 0.00 -1.37 0.00 0.00 64.86 63.25 2k36 h ILE 70 Cb 0.00 0.16 -0.03 0.00 0.47 0.00 0.00 36.82 37.42 2k36 h ILE 70 CO 0.00 0.13 -0.21 -0.78 -3.07 0.00 0.00 178.15 174.22 2k36 h ASP 71 N 0.74 -0.59 -0.44 2.19 1.82 -1.91 0.32 116.42 118.55 2k36 h ASP 71 Ca 0.33 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 57.00 2k36 h ASP 71 Cb 0.22 0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 2k36 h ASP 71 CO -0.20 -0.30 0.13 0.11 -1.61 0.00 0.00 179.24 177.37 2k36 h LYS 72 N -0.41 0.69 -0.40 0.28 1.79 -1.62 -0.91 116.57 115.98 2k36 h LYS 72 Ca 0.02 -0.15 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2k36 h LYS 72 Cb 0.42 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 2k36 h LYS 72 CO -0.10 0.68 0.22 0.82 -1.08 0.00 0.00 179.45 179.99 2k36 h ILE 73 N 0.57 1.01 -0.53 1.86 2.04 -0.31 0.65 117.51 122.80 2k36 h ILE 73 Ca 0.14 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2k36 h ILE 73 Cb 0.28 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2k36 h ILE 73 CO -0.00 0.08 0.24 0.78 0.00 0.00 0.00 178.15 179.25 2k36 h ASN 74 N 0.45 0.30 -0.12 1.72 2.35 -0.02 0.36 115.58 120.62 2k36 h ASN 74 Ca 0.17 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.76 2k36 h ASN 74 Cb 0.04 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2k36 h ASN 74 CO -0.09 0.21 -0.69 -0.33 -1.65 0.00 0.00 177.43 174.87 2k36 h GLU 75 N 0.45 0.75 0.18 0.81 5.08 -0.53 -3.13 114.58 118.20 2k36 h GLU 75 Ca 0.25 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2k36 h GLU 75 Cb 0.21 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k36 h GLU 75 CO -0.21 1.18 -0.09 0.82 -1.00 0.00 0.00 179.01 179.72 2k36 h ILE 76 N 0.54 0.92 -0.40 3.13 5.03 0.71 -1.50 117.51 125.95 2k36 h ILE 76 Ca -0.03 -0.61 0.08 0.00 -0.12 0.00 0.00 64.86 64.19 2k36 h ILE 76 Cb 1.30 1.28 -0.08 0.00 -3.03 0.00 0.00 36.82 36.30 2k36 h ILE 76 CO 0.14 0.14 -0.12 1.62 -0.68 0.00 0.00 178.15 179.25 2k36 h VAL 77 N -0.55 0.56 -0.84 1.67 3.04 -0.38 -0.16 116.25 119.60 2k36 h VAL 77 Ca -0.03 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.73 2k36 h VAL 77 Cb 0.41 0.56 -0.06 0.00 -2.01 0.00 0.00 31.29 30.19 2k36 h VAL 77 CO 0.04 0.00 0.52 -0.33 -1.01 0.00 0.00 177.57 176.79 2k36 h GLU 78 N -0.03 0.91 0.18 4.17 5.08 -1.55 -2.54 114.58 120.80 2k36 h GLU 78 Ca 0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2k36 h GLU 78 Cb 0.32 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k36 h GLU 78 CO -0.43 0.60 -0.10 0.00 -1.00 0.00 0.00 179.01 178.09 2k36 h ALA 79 N 1.40 -0.26 -0.99 3.43 0.00 0.02 -0.98 119.26 121.88 2k36 h ALA 79 Ca 0.37 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.51 2k36 h ALA 79 Cb 0.18 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2k36 h ALA 79 CO -0.18 -0.65 0.78 0.52 0.00 0.00 0.00 179.25 179.73 2k36 h MET 80 N -0.26 0.00 0.00 0.00 2.86 -0.92 0.16 114.93 116.77 2k36 h MET 80 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k36 h MET 80 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2k36 h MET 80 CO 0.03 0.00 -0.10 0.77 1.06 0.00 0.00 176.91 178.66 2k36 h SER 81 N 0.00 0.00 0.32 1.22 0.02 -0.77 -2.88 113.55 111.45 2k36 h SER 81 Ca 0.47 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2k36 h SER 81 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 2k36 h SER 81 CO -0.00 0.01 -1.53 -0.62 -1.14 0.00 0.00 176.83 173.54 2k36 n GLU 82 N -2.57 0.54 -0.26 3.45 -0.58 0.49 -2.49 120.64 119.24 2k36 n GLU 82 Ca 0.05 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2k36 n GLU 82 Cb 0.47 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 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 1.27 0.85 2.66 0.62 0.00 -0.71 -5.02 105.19 104.86 2k36 n GLY 83 Ca -0.02 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.20 1.50 0.14 1.61 2.15 -1.08 -5.02 116.67 113.77 2k36 s ASP 84 Ca 0.00 -0.13 0.03 0.00 0.43 0.00 0.00 52.55 52.88 2k36 s ASP 84 Cb 0.00 -0.16 -0.01 0.00 -0.30 0.00 0.00 42.92 42.46 2k36 s ASP 84 CO 0.00 -0.28 0.10 0.00 -0.17 0.00 0.00 175.17 174.81 2k36 n HIS 85 N 5.29 -0.20 -2.74 -5.34 1.44 -1.26 -4.20 115.22 108.21 2k36 n HIS 85 Ca -0.04 -1.11 -0.02 0.00 -2.01 0.00 0.00 57.72 54.53 2k36 n HIS 85 Cb 0.50 0.08 0.09 0.00 0.12 0.00 0.00 29.99 30.77 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 -0.30 -0.49 -3.20 -1.40 0.18 -1.26 -5.10 117.16 105.59 2k36 n TYR 86 Ca 0.01 -1.97 -0.41 0.00 1.88 0.00 0.00 57.90 57.41 2k36 n TYR 86 Cb 0.25 0.69 -0.07 0.00 -0.38 0.00 0.00 39.34 39.82 2k36 n TYR 86 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2k36 s ILE 87 N -1.74 5.02 -0.23 -3.48 -1.09 -1.26 -5.01 121.20 113.41 2k36 s ILE 87 Ca 0.19 0.73 -0.28 0.00 -2.23 0.00 0.00 60.65 59.05 2k36 s ILE 87 Cb 0.39 -3.91 0.15 0.00 -1.58 0.00 0.00 42.46 37.51 2k36 s ILE 87 CO -0.08 -0.05 1.13 0.54 -1.23 0.00 0.00 174.94 175.25 2k36 s ASN 88 N 1.63 -0.28 0.12 3.58 2.20 -1.26 -5.15 114.94 115.79 2k36 s ASN 88 Ca 0.22 0.38 0.00 0.00 -0.94 0.00 0.00 52.86 52.52 2k36 s ASN 88 Cb -0.15 0.33 0.00 0.00 -2.00 0.00 0.00 41.25 39.43 2k36 s ASN 88 CO 0.11 -0.20 0.00 0.33 -2.94 0.00 0.00 177.10 174.40 2k36 n PHE 89 N 1.06 -2.05 -3.62 1.54 7.35 -1.26 -5.01 117.46 115.47 2k36 n PHE 89 Ca -0.08 1.16 -0.37 0.00 -0.76 0.00 0.00 57.45 57.39 2k36 n PHE 89 Cb 0.58 -2.57 -0.06 0.00 0.35 0.00 0.00 39.48 37.77 2k36 n PHE 89 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2k36 s THR 90 N -0.79 5.28 0.00 -2.13 -4.23 -1.26 -5.05 115.64 107.46 2k36 s THR 90 Ca 0.00 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 2k36 s THR 90 Cb 0.00 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2k36 s THR 90 CO 0.00 0.51 0.63 1.17 -0.54 0.00 0.00 174.62 176.39 2k36 n LYS 91 N 2.63 0.00 0.02 3.99 3.00 -1.26 -3.95 118.16 122.60 2k36 n LYS 91 Ca -0.15 0.32 0.11 0.00 -0.00 0.00 0.00 58.31 58.59 2k36 n LYS 91 Cb 0.53 -1.13 -0.06 0.00 0.00 0.00 0.00 35.03 34.36 2k36 n LYS 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k36 n VAL 92 N -1.13 0.14 -3.48 3.15 0.24 -1.26 -5.02 118.33 110.98 2k36 n VAL 92 Ca 0.00 -0.33 -0.19 0.00 -2.04 0.00 0.00 64.34 61.78 2k36 n VAL 92 Cb 0.00 0.19 0.03 0.00 -1.47 0.00 0.00 33.84 32.58 2k36 n VAL 92 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2k36 n HIS 93 N -2.08 -2.31 -4.67 6.34 -0.00 -1.25 -5.03 115.22 106.22 2k36 n HIS 93 Ca 0.00 0.77 -0.29 0.00 0.46 0.00 0.00 57.72 58.65 2k36 n HIS 93 Cb 0.48 -3.57 -0.06 0.00 -0.12 0.00 0.00 29.99 26.71 2k36 n HIS 93 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2k36 n ASP 94 N -2.46 2.91 -0.32 0.26 2.03 -1.26 -4.97 116.55 112.74 2k36 n ASP 94 Ca -0.11 -3.09 0.07 0.00 0.52 0.00 0.00 54.79 52.18 2k36 n ASP 94 Cb 0.59 0.46 0.23 0.00 -0.72 0.00 0.00 41.12 41.68 2k36 n ASP 94 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k36 h GLN 95 N 0.00 0.77 -0.64 -0.67 4.15 -1.98 0.44 115.11 117.17 2k36 h GLN 95 Ca -0.38 -0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.09 2k36 h GLN 95 Cb 1.19 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 28.64 2k36 h GLN 95 CO 0.62 0.51 0.26 1.49 -1.93 0.00 0.00 178.83 179.78 2k36 h GLU 96 N 0.79 0.44 -0.26 1.69 4.81 -1.99 0.18 114.58 120.23 2k36 h GLU 96 Ca 0.48 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.54 2k36 h GLU 96 Cb 0.59 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2k36 h GLU 96 CO -0.31 0.29 -0.44 0.77 -0.73 0.00 0.00 179.01 178.59 2k36 h SER 97 N 0.45 0.71 0.24 1.04 0.02 -1.32 -1.51 113.55 113.19 2k36 h SER 97 Ca 0.33 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k36 h SER 97 Cb 0.40 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2k36 h SER 97 CO -0.31 1.05 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.11 2k36 h LEU 98 N 0.53 -0.68 -0.73 5.07 3.38 0.11 0.37 115.31 123.36 2k36 h LEU 98 Ca 0.04 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2k36 h LEU 98 Cb 0.98 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2k36 h LEU 98 CO 0.09 -0.37 0.30 -0.26 0.09 0.00 0.00 178.44 178.30 2k36 h PHE 99 N -0.53 1.11 -0.51 1.13 -1.00 -1.02 -2.20 116.94 113.92 2k36 h PHE 99 Ca -0.00 -0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.76 2k36 h PHE 99 Cb 0.50 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 2k36 h PHE 99 CO -0.17 0.85 0.34 0.00 -1.61 0.00 0.00 178.31 177.71 2k36 h ALA 100 N 1.15 1.89 -0.01 2.45 0.00 -0.77 -1.24 119.26 122.72 2k36 h ALA 100 Ca 0.25 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2k36 h ALA 100 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k36 h ALA 100 CO -0.02 0.03 -0.57 1.15 0.00 0.00 0.00 179.25 179.84 2k36 h THR 101 N 0.46 1.40 0.08 0.00 2.02 -0.28 -1.48 112.91 115.11 2k36 h THR 101 Ca 0.22 -1.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 2k36 h THR 101 Cb 0.28 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2k36 h THR 101 CO -0.06 0.56 -0.04 0.40 0.37 0.00 0.00 175.52 176.75 2k36 h ILE 102 N 0.03 1.20 -0.65 3.11 5.03 -1.14 -3.11 117.51 121.98 2k36 h ILE 102 Ca -0.00 -1.20 -0.07 0.00 -0.12 0.00 0.00 64.86 63.47 2k36 h ILE 102 Cb 1.01 1.95 -0.03 0.00 -3.03 0.00 0.00 36.82 36.72 2k36 h ILE 102 CO 0.08 0.29 0.13 1.23 -0.68 0.00 0.00 178.15 179.19 2k36 h GLY 103 N -0.67 1.14 0.75 5.37 0.00 -1.35 0.20 103.07 108.51 2k36 h GLY 103 Ca -0.01 -0.74 0.04 0.00 0.00 0.00 0.00 47.33 46.63 2k36 h GLY 103 CO 0.02 0.69 0.32 1.19 0.00 0.00 0.00 176.54 178.75 2k36 h ILE 104 N 0.98 0.99 0.00 2.60 6.09 -1.39 -0.45 117.51 126.33 2k36 h ILE 104 Ca 0.20 -0.21 -0.07 0.00 -1.37 0.00 0.00 64.86 63.41 2k36 h ILE 104 Cb 0.40 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 38.00 2k36 h ILE 104 CO 0.01 0.11 -0.32 0.00 -3.07 0.00 0.00 178.15 174.88 2k36 h ALA 106 N 1.68 0.51 0.00 0.00 0.00 0.56 -2.26 119.26 119.74 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 0.85 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k36 h ALA 106 CO 0.04 0.63 -0.55 -0.22 0.00 0.00 0.00 179.25 179.15 2k36 h LYS 107 N 0.67 0.00 0.02 0.00 3.64 -1.11 -2.76 116.57 117.03 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 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2k36 h LYS 107 CO 0.10 0.55 -0.01 0.82 -2.27 0.00 0.00 179.45 178.64 2k36 h ILE 108 N 0.00 1.34 -0.09 2.00 2.04 -1.41 -3.24 117.51 118.15 2k36 h ILE 108 Ca -0.01 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 2k36 h ILE 108 Cb 1.00 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 2k36 h ILE 108 CO 0.07 0.28 -0.28 0.00 0.00 0.00 0.00 178.15 178.23 2k36 h THR 109 N -0.50 1.24 -0.10 -0.27 1.03 -1.35 -3.20 112.91 109.76 2k36 h THR 109 Ca -0.00 -1.11 -0.09 0.00 -0.01 0.00 0.00 66.41 65.19 2k36 h THR 109 Cb 0.48 1.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.04 2k36 h THR 109 CO 0.00 0.33 -0.30 1.05 -0.01 0.00 0.00 175.52 176.59 2k36 h GLU 110 N 0.15 0.39 -0.49 0.00 4.11 -1.57 -3.26 114.58 113.90 2k36 h GLU 110 Ca 0.02 -0.28 0.13 0.00 0.07 0.00 0.00 59.36 59.30 2k36 h GLU 110 Cb 0.57 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2k36 h GLU 110 CO 0.04 0.90 0.35 1.25 0.07 0.00 0.00 179.01 181.61 2k36 h HIS 111 N -0.05 0.10 0.00 2.06 2.76 -1.57 -0.17 115.15 118.28 2k36 h HIS 111 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2k36 h HIS 111 Cb 0.92 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2k36 h HIS 111 CO 0.11 0.04 0.00 -1.49 -1.30 0.00 0.00 177.93 175.30 2k36 h TRP 112 N 0.09 0.00 -0.20 5.26 6.55 -1.68 -3.30 115.95 122.67 2k36 h TRP 112 Ca 0.23 0.00 0.04 0.00 0.95 0.00 0.00 58.89 60.11 2k36 h TRP 112 Cb 0.80 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.07 2k36 h TRP 112 CO -0.00 0.00 -0.03 0.78 -1.05 0.00 0.00 178.44 178.14 2k36 h GLY 113 N 0.74 0.17 0.72 1.49 0.00 -1.21 0.13 103.07 105.11 2k36 h GLY 113 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2k36 h GLY 113 CO 0.00 -0.06 -0.35 -0.97 0.00 0.00 0.00 176.54 175.16 2k36 h TYR 114 N 0.03 -0.89 -0.58 5.60 0.05 -1.79 -3.20 116.97 116.18 2k36 h TYR 114 Ca 0.10 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2k36 h TYR 114 Cb 0.14 0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2k36 h TYR 114 CO -0.20 -0.56 0.00 0.36 -1.05 0.00 0.00 178.16 176.71 2k36 n LYS 115 N -4.59 2.82 -2.96 4.88 2.85 -1.25 -4.95 118.16 114.95 2k36 n LYS 115 Ca -0.12 -2.44 -0.05 0.00 -1.05 0.00 0.00 58.31 54.65 2k36 n LYS 115 Cb 0.38 -1.46 0.01 0.00 -0.65 0.00 0.00 35.03 33.30 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 1.18 -1.92 -2.91 -1.58 5.02 0.36 -4.99 118.16 113.32 2k36 n LYS 116 Ca 0.20 1.83 -0.27 0.00 -2.02 0.00 0.00 58.31 58.05 2k36 n LYS 116 Cb 0.56 -5.61 -0.01 0.00 -0.02 0.00 0.00 35.03 29.94 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 -2.76 4.95 0.00 -0.18 1.01 -0.68 -4.35 121.20 119.19 2k36 s ILE 117 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2k36 s ILE 117 Cb -0.04 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2k36 s ILE 117 CO 0.77 -0.68 0.00 -0.24 0.00 0.00 0.00 174.94 174.79 2k36 n SER 118 N -1.86 0.00 -3.46 3.58 2.88 -1.04 -4.68 113.62 109.04 2k36 n SER 118 Ca -0.01 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.28 2k36 n SER 118 Cb 0.55 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.03 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 -4.88 -2.08 -1.46 1.02 -1.26 -4.80 120.64 107.17 2k36 n GLU 119 Ca 0.00 0.67 -0.43 0.00 -0.02 0.00 0.00 57.16 57.38 2k36 n GLU 119 Cb 0.00 -5.51 -0.03 0.00 -0.02 0.00 0.00 31.44 25.88 2k36 n GLU 119 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k36 s SER 120 N -2.94 6.52 0.32 1.62 0.01 -1.26 -4.87 113.70 113.09 2k36 s SER 120 Ca 0.47 1.88 0.24 0.00 1.31 0.00 0.00 55.95 59.85 2k36 s SER 120 Cb -0.23 -2.53 0.40 0.00 0.21 0.00 0.00 66.02 63.86 2k36 s SER 120 CO 0.58 -1.10 1.53 0.08 0.41 0.00 0.00 173.24 174.75 2k36 h ARG 121 N 10.13 0.00 -2.66 12.44 0.11 -2.02 -3.35 114.38 129.03 2k36 h ARG 121 Ca -0.35 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.09 2k36 h ARG 121 Cb 1.16 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.18 2k36 h ARG 121 CO 0.98 0.00 2.56 1.19 0.10 0.00 0.00 179.97 184.80 2k36 n PHE 122 N -2.74 2.16 -2.74 4.08 3.72 -1.26 -4.70 117.46 115.98 2k36 n PHE 122 Ca 0.04 -2.72 -0.42 0.00 -0.05 0.00 0.00 57.45 54.30 2k36 n PHE 122 Cb 0.50 -2.05 0.02 0.00 -0.94 0.00 0.00 39.48 37.01 2k36 n PHE 122 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2k36 n GLN 123 N 2.52 5.17 -2.62 -1.08 7.27 -1.26 -4.70 117.38 122.68 2k36 n GLN 123 Ca 0.66 -4.62 -0.19 0.00 0.07 0.00 0.00 57.00 52.92 2k36 n GLN 123 Cb 0.34 -2.48 0.01 0.00 2.41 0.00 0.00 30.24 30.51 2k36 n GLN 123 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2k36 n SER 124 N 0.36 3.10 0.00 1.69 7.64 -1.26 -4.75 113.62 120.40 2k36 n SER 124 Ca 0.41 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 57.04 2k36 n SER 124 Cb 0.28 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.25 0.00 0.00 -3.43 4.32 -1.26 -5.08 117.00 111.30 2k36 n LEU 125 Ca 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 2k36 n LEU 125 Cb 0.71 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.51 2k36 n LEU 125 CO 0.30 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 2k36 n GLY 126 N 0.87 1.66 3.08 -0.72 0.00 -1.26 -5.04 105.19 103.78 2k36 n GLY 126 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.60 2k36 n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k36 n ASN 127 N 4.04 -4.66 0.00 1.61 2.85 -1.26 -4.83 115.26 113.01 2k36 n ASN 127 Ca 0.00 0.61 0.00 0.00 -0.11 0.00 0.00 54.58 55.08 2k36 n ASN 127 Cb 0.00 -1.71 0.00 0.00 1.24 0.00 0.00 39.78 39.31 2k36 n ASN 127 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2k36 n ILE 128 N -2.35 0.00 0.25 -1.44 2.08 -1.26 -3.69 119.36 112.96 2k36 n ILE 128 Ca 0.00 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.42 2k36 n ILE 128 Cb 0.26 0.00 0.66 0.00 -0.75 0.00 0.00 39.64 39.81 2k36 n ILE 128 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2k36 h THR 129 N 0.00 0.75 -0.00 1.39 2.02 -1.89 -0.46 112.91 114.71 2k36 h THR 129 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2k36 h THR 129 Cb 0.00 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2k36 h THR 129 CO 0.00 0.14 -0.05 0.47 0.37 0.00 0.00 175.52 176.45 2k36 n ASP 130 N -3.85 0.18 -0.05 4.18 8.00 -1.24 -3.30 116.55 120.46 2k36 n ASP 130 Ca -0.02 -0.32 0.12 0.00 0.71 0.00 0.00 54.79 55.28 2k36 n ASP 130 Cb 0.24 -0.19 0.27 0.00 -0.02 0.00 0.00 41.12 41.42 2k36 n ASP 130 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2k36 n LEU 131 N -1.16 0.62 -4.53 0.64 0.00 -0.18 -4.90 117.00 107.49 2k36 n LEU 131 Ca 0.14 -0.06 -0.26 0.00 0.00 0.00 0.00 56.01 55.83 2k36 n LEU 131 Cb 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 43.42 43.37 2k36 n LEU 131 CO 0.23 0.14 -0.19 0.00 0.00 0.00 0.00 177.39 177.57 2k36 s MET 132 N -2.89 1.97 0.24 1.96 0.23 -1.21 -4.96 119.30 114.64 2k36 s MET 132 Ca 0.14 -2.21 0.03 0.00 -1.03 0.00 0.00 55.69 52.62 2k36 s MET 132 Cb 0.18 -0.65 0.03 0.00 -1.53 0.00 0.00 34.83 32.86 2k36 s MET 132 CO 0.66 -0.49 0.23 0.25 -2.03 0.00 0.00 175.02 173.64 2k36 n THR 133 N -0.95 0.00 0.05 3.16 -2.24 -1.26 -4.98 114.28 108.06 2k36 n THR 133 Ca -0.07 -0.92 -0.04 0.00 -2.27 0.00 0.00 64.05 60.75 2k36 n THR 133 Cb 0.65 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.22 0.00 1.10 3.42 2.03 -2.01 -3.24 116.42 117.93 2k36 h ASP 134 Ca -0.14 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.10 2k36 h ASP 134 Cb 0.55 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 2k36 h ASP 134 CO 0.22 0.82 -0.25 -0.78 -1.03 0.00 0.00 179.24 178.22 2k36 h ASP 135 N 0.00 0.00 1.02 4.15 3.58 -2.01 -2.60 116.42 120.57 2k36 h ASP 135 Ca -0.11 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.23 2k36 h ASP 135 Cb 1.72 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.76 2k36 h ASP 135 CO 0.09 0.25 -0.52 -1.13 -2.88 0.00 0.00 179.24 175.05 2k36 h ASN 136 N 0.00 0.00 -0.99 2.28 -0.73 -1.95 -0.59 115.58 113.60 2k36 h ASN 136 Ca -0.00 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.20 2k36 h ASN 136 Cb 0.87 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.40 2k36 h ASN 136 CO 0.03 0.52 0.65 0.40 -0.37 0.00 0.00 177.43 178.66 2k36 h ILE 137 N 0.00 1.18 -0.31 2.57 5.03 -1.58 0.28 117.51 124.69 2k36 h ILE 137 Ca -0.01 -0.43 -0.15 0.00 -0.12 0.00 0.00 64.86 64.15 2k36 h ILE 137 Cb 1.17 -0.19 -0.00 0.00 -3.03 0.00 0.00 36.82 34.77 2k36 h ILE 137 CO 0.07 0.23 -0.41 0.78 -0.68 0.00 0.00 178.15 178.13 2k36 h ASN 138 N 1.26 0.89 -0.89 1.72 -0.26 -1.19 -0.14 115.58 116.98 2k36 h ASN 138 Ca 0.39 -0.50 -0.02 0.00 -0.56 0.00 0.00 56.30 55.61 2k36 h ASN 138 Cb -0.01 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 36.95 2k36 h ASN 138 CO -0.12 1.22 0.49 0.40 -1.06 0.00 0.00 177.43 178.36 2k36 h ILE 139 N 0.59 1.26 0.14 2.81 5.03 -0.89 -1.24 117.51 125.22 2k36 h ILE 139 Ca 0.04 -0.64 -0.01 0.00 -0.12 0.00 0.00 64.86 64.13 2k36 h ILE 139 Cb 1.01 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 34.85 2k36 h ILE 139 CO 0.10 0.29 -0.07 0.25 -0.68 0.00 0.00 178.15 178.04 2k36 h LEU 140 N 1.25 -0.16 -0.77 1.44 7.12 -0.17 0.35 115.31 124.37 2k36 h LEU 140 Ca 0.31 -0.18 0.16 0.00 0.13 0.00 0.00 57.88 58.30 2k36 h LEU 140 Cb 0.03 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 40.10 2k36 h LEU 140 CO -0.05 0.09 0.29 0.40 -0.13 0.00 0.00 178.44 179.04 2k36 h ILE 141 N -0.41 0.61 -0.07 4.05 1.08 -0.77 -0.64 117.51 121.35 2k36 h ILE 141 Ca -0.02 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2k36 h ILE 141 Cb 0.33 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2k36 h ILE 141 CO 0.03 0.08 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.46 2k36 h LEU 142 N 0.41 0.15 -0.40 1.44 4.07 -0.74 0.40 115.31 120.65 2k36 h LEU 142 Ca 0.44 -0.41 0.03 0.00 0.08 0.00 0.00 57.88 58.02 2k36 h LEU 142 Cb 0.70 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 2k36 h LEU 142 CO -0.44 0.53 0.20 0.15 -1.08 0.00 0.00 178.44 177.80 2k36 h PHE 143 N -0.23 0.36 -0.38 1.13 3.57 0.09 -2.33 116.94 119.15 2k36 h PHE 143 Ca 0.02 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2k36 h PHE 143 Cb 0.47 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2k36 h PHE 143 CO 0.07 0.19 0.05 -0.07 -2.23 0.00 0.00 178.31 176.31 2k36 h LEU 144 N 0.40 0.62 -1.97 0.59 3.38 -1.02 -3.07 115.31 114.24 2k36 h LEU 144 Ca 0.17 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.97 2k36 h LEU 144 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2k36 h LEU 144 CO -0.12 0.74 0.43 -0.33 0.09 0.00 0.00 178.44 179.25 2k36 h GLU 145 N 0.48 0.00 -0.99 1.13 5.08 0.36 1.19 114.58 121.83 2k36 h GLU 145 Ca 0.11 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.71 2k36 h GLU 145 Cb 0.39 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.52 2k36 h GLU 145 CO 0.01 0.00 0.58 0.87 -1.00 0.00 0.00 179.01 179.47 2k36 h LYS 146 N 0.00 0.58 0.00 2.33 1.79 -1.40 -3.02 116.57 116.85 2k36 h LYS 146 Ca 0.17 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2k36 h LYS 146 Cb 1.03 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2k36 h LYS 146 CO -0.00 0.38 -0.73 1.63 -1.08 0.00 0.00 179.45 179.66 2k36 n LYS 147 N -4.88 2.64 -2.87 3.15 4.01 0.22 -5.04 118.16 115.40 2k36 n LYS 147 Ca 0.26 -0.02 -0.21 0.00 -0.51 0.00 0.00 58.31 57.83 2k36 n LYS 147 Cb 0.70 -0.90 0.08 0.00 -0.51 0.00 0.00 35.03 34.39 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 -2.78 3.08 0.00 -0.35 1.43 0.35 -5.03 118.68 115.37 2k36 s LEU 148 Ca -0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2k36 s LEU 148 Cb 0.03 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2k36 s LEU 148 CO 0.15 -1.52 0.00 -3.20 0.23 0.00 0.00 176.35 172.01