#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 -1.45 -0.67 3.04 0.00 -1.26 -5.10 121.76 116.33 2k36 s ALA 2 Ca 0.00 1.67 -0.21 0.00 0.00 0.00 0.00 51.96 53.41 2k36 s ALA 2 Cb 0.00 -1.54 0.08 0.00 0.00 0.00 0.00 23.12 21.67 2k36 s ALA 2 CO 0.00 -0.90 0.92 0.95 0.00 0.00 0.00 175.76 176.73 2k36 s THR 3 N 2.69 4.47 0.36 0.00 -4.23 -1.26 -5.03 115.64 112.64 2k36 s THR 3 Ca 0.00 -0.60 -0.26 0.00 -1.18 0.00 0.00 61.69 59.65 2k36 s THR 3 Cb -0.13 -4.65 -0.09 0.00 1.34 0.00 0.00 72.50 68.97 2k36 s THR 3 CO -0.15 -1.39 1.09 -0.54 -0.54 0.00 0.00 174.62 173.09 2k36 s LYS 4 N 3.65 4.29 -1.27 3.99 1.02 -1.26 -4.95 119.74 125.22 2k36 s LYS 4 Ca 0.21 1.69 -0.13 0.00 0.02 0.00 0.00 55.97 57.76 2k36 s LYS 4 Cb -0.17 -2.79 0.15 0.00 -0.52 0.00 0.00 37.83 34.50 2k36 s LYS 4 CO 0.08 -0.07 1.70 1.28 -0.92 0.00 0.00 175.35 177.42 2k36 n LEU 5 N 0.38 5.87 -4.82 3.17 4.77 -1.26 -5.00 117.00 120.11 2k36 n LEU 5 Ca 0.03 -4.44 -0.33 0.00 -0.03 0.00 0.00 56.01 51.23 2k36 n LEU 5 Cb 0.47 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.91 2k36 n LEU 5 CO 0.49 0.94 0.65 -0.62 -1.33 0.00 0.00 177.39 177.53 2k36 s ASP 6 N 2.27 6.90 -0.04 -1.43 -1.08 -1.26 -5.06 116.67 116.97 2k36 s ASP 6 Ca 0.43 1.70 -0.02 0.00 -0.52 0.00 0.00 52.55 54.15 2k36 s ASP 6 Cb 0.04 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.99 2k36 s ASP 6 CO 0.00 -0.39 0.07 -0.31 0.52 0.00 0.00 175.17 175.07 2k36 s TYR 7 N -2.17 0.00 0.00 -5.34 2.02 -1.26 -5.02 117.35 105.58 2k36 s TYR 7 Ca 0.62 0.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.60 2k36 s TYR 7 Cb -0.09 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.13 2k36 s TYR 7 CO 0.14 -0.16 0.00 0.39 -1.57 0.00 0.00 175.55 174.34 2k36 n GLU 8 N 4.84 0.00 -3.74 -0.62 1.02 -1.26 -4.59 120.64 116.28 2k36 n GLU 8 Ca -0.14 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.74 2k36 n GLU 8 Cb 0.50 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.98 2k36 n GLU 8 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k36 n ASP 9 N -2.11 -5.57 -3.42 1.62 2.03 -1.26 -4.80 116.55 103.05 2k36 n ASP 9 Ca 0.00 -0.65 -0.33 0.00 0.52 0.00 0.00 54.79 54.32 2k36 n ASP 9 Cb 0.00 -4.50 -0.04 0.00 -0.72 0.00 0.00 41.12 35.86 2k36 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k36 n ALA 10 N -4.85 3.86 -0.21 -1.67 0.00 -1.26 -4.58 120.51 111.80 2k36 n ALA 10 Ca 0.02 -2.67 -0.03 0.00 0.00 0.00 0.00 53.44 50.76 2k36 n ALA 10 Cb 0.55 -3.34 0.08 0.00 0.00 0.00 0.00 19.45 16.74 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 4.02 0.98 -3.05 0.00 3.04 -2.01 -3.44 116.25 115.79 2k36 h VAL 11 Ca 0.44 -0.22 -0.58 0.00 -1.01 0.00 0.00 66.70 65.33 2k36 h VAL 11 Cb 0.43 0.29 0.14 0.00 -2.01 0.00 0.00 31.29 30.15 2k36 h VAL 11 CO 1.72 0.12 0.01 2.22 -1.01 0.00 0.00 177.57 180.63 2k36 n PHE 12 N -4.81 0.66 -0.11 3.17 1.16 -1.26 -4.97 117.46 111.30 2k36 n PHE 12 Ca 0.07 0.53 -0.22 0.00 -1.87 0.00 0.00 57.45 55.96 2k36 n PHE 12 Cb 0.15 -2.15 -0.07 0.00 -1.61 0.00 0.00 39.48 35.80 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 -0.92 0.00 1.70 2.97 9.36 -1.26 -4.50 117.16 124.52 2k36 n TYR 13 Ca 0.11 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.48 2k36 n TYR 13 Cb 0.42 -0.77 0.80 0.00 -0.63 0.00 0.00 39.34 39.15 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 -4.22 0.00 -0.31 2.98 3.72 -1.26 -3.66 117.46 114.71 2k36 n PHE 14 Ca -0.39 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.08 2k36 n PHE 14 Cb 0.74 -0.10 0.17 0.00 -0.94 0.00 0.00 39.48 39.34 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 0.32 0.13 -0.13 -4.37 3.04 -1.97 -1.84 116.25 111.43 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 0.18 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.57 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 -5.51 3.08 -0.17 3.17 2.03 -1.24 0.11 116.55 118.03 2k36 n ASP 16 Ca 0.16 -3.00 0.17 0.00 0.52 0.00 0.00 54.79 52.64 2k36 n ASP 16 Cb 0.53 -0.47 0.53 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.90 0.35 0.00 1.67 3.58 -1.46 -3.40 116.42 118.06 2k36 h ASP 17 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k36 h ASP 17 Cb 1.19 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2k36 h ASP 17 CO 0.11 0.17 0.00 -0.67 -2.88 0.00 0.00 179.24 175.97 2k36 n ASP 18 N -4.47 0.00 -4.74 2.28 2.03 -1.26 -4.86 116.55 105.53 2k36 n ASP 18 Ca 0.16 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.20 2k36 n ASP 18 Cb 0.60 -0.05 -0.07 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 2.17 0.18 -0.67 -2.85 -1.26 -4.29 119.74 113.02 2k36 s LYS 19 Ca 0.00 -2.02 -0.27 0.00 -1.00 0.00 0.00 55.97 52.68 2k36 s LYS 19 Cb 0.00 -1.85 -0.08 0.00 -2.06 0.00 0.00 37.83 33.84 2k36 s LYS 19 CO 0.00 -0.21 0.85 -1.50 0.10 0.00 0.00 175.35 174.59 2k36 s ILE 20 N -2.69 4.28 0.00 3.79 1.10 -1.26 -4.65 121.20 121.77 2k36 s ILE 20 Ca 0.33 1.87 0.00 0.00 -0.51 0.00 0.00 60.65 62.34 2k36 s ILE 20 Cb 0.04 -4.22 0.00 0.00 0.15 0.00 0.00 42.46 38.43 2k36 s ILE 20 CO 0.18 0.49 0.00 0.00 -2.11 0.00 0.00 174.94 173.50 2k36 s SER 22 N -0.98 4.16 0.26 0.00 0.15 -1.26 -4.91 113.70 111.12 2k36 s SER 22 Ca 0.00 1.75 -0.01 0.00 0.70 0.00 0.00 55.95 58.38 2k36 s SER 22 Cb 0.00 -2.43 0.49 0.00 -1.71 0.00 0.00 66.02 62.37 2k36 s SER 22 CO 0.00 -2.24 1.80 0.03 1.20 0.00 0.00 173.24 174.03 2k36 h ARG 23 N -1.27 0.77 0.00 5.44 3.08 -1.99 -1.28 114.38 119.12 2k36 h ARG 23 Ca -0.45 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2k36 h ARG 23 Cb 1.25 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2k36 h ARG 23 CO 0.52 0.51 0.00 -3.47 -1.07 0.00 0.00 179.97 176.45 2k36 n ASP 24 N -4.75 0.00 -0.00 7.04 2.03 -1.26 -2.74 116.55 116.87 2k36 n ASP 24 Ca 0.16 -0.12 0.07 0.00 0.52 0.00 0.00 54.79 55.43 2k36 n ASP 24 Cb 0.36 -0.24 -0.14 0.00 -0.72 0.00 0.00 41.12 40.37 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 -1.24 0.17 0.04 1.67 2.88 -0.49 -3.64 113.62 113.01 2k36 n SER 25 Ca 0.11 0.07 0.12 0.00 -1.33 0.00 0.00 58.87 57.84 2k36 n SER 25 Cb 0.16 1.52 0.47 0.00 -0.75 0.00 0.00 64.21 65.61 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 -2.43 0.53 0.14 2.46 2.08 -1.11 -0.97 119.36 120.07 2k36 n ILE 26 Ca -0.08 0.05 -0.12 0.00 0.56 0.00 0.00 62.75 63.16 2k36 n ILE 26 Cb 0.67 -0.76 -0.07 0.00 -0.75 0.00 0.00 39.64 38.73 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 0.57 -0.05 1.39 1.08 -1.69 -2.88 117.51 115.93 2k36 h ILE 27 Ca 0.00 -0.78 -0.17 0.00 -0.39 0.00 0.00 64.86 63.53 2k36 h ILE 27 Cb 0.46 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2k36 h ILE 27 CO 0.00 0.12 -0.71 0.44 -0.69 0.00 0.00 178.15 177.32 2k36 h ASP 28 N -0.90 0.33 -0.37 1.72 5.19 -1.69 -3.33 116.42 117.37 2k36 h ASP 28 Ca -0.04 -0.22 0.08 0.00 -0.62 0.00 0.00 57.03 56.23 2k36 h ASP 28 Cb 0.51 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.85 2k36 h ASP 28 CO 0.07 0.93 -0.17 0.25 -3.12 0.00 0.00 179.24 177.20 2k36 h LEU 29 N 0.19 -0.59 -1.48 1.55 5.85 -1.06 0.81 115.31 120.58 2k36 h LEU 29 Ca -0.02 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2k36 h LEU 29 Cb 1.26 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 2k36 h LEU 29 CO 0.11 -0.21 0.24 0.40 -0.34 0.00 0.00 178.44 178.64 2k36 h ILE 30 N -0.11 1.13 -0.22 4.05 1.08 -1.62 0.34 117.51 122.17 2k36 h ILE 30 Ca 0.18 -0.33 -0.08 0.00 -0.39 0.00 0.00 64.86 64.24 2k36 h ILE 30 Cb 0.39 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2k36 h ILE 30 CO -0.44 0.15 -0.17 -0.78 -0.69 0.00 0.00 178.15 176.22 2k36 h ASP 31 N 0.60 0.52 0.08 1.72 1.82 -1.30 -1.10 116.42 118.76 2k36 h ASP 31 Ca 0.16 -0.45 0.01 0.00 -0.39 0.00 0.00 57.03 56.35 2k36 h ASP 31 Cb 0.01 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 2k36 h ASP 31 CO -0.03 0.86 -0.11 -0.33 -1.61 0.00 0.00 179.24 178.03 2k36 h GLU 32 N 0.19 -0.22 0.50 0.28 4.39 0.31 -0.28 114.58 119.75 2k36 h GLU 32 Ca 0.04 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2k36 h GLU 32 Cb 0.70 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2k36 h GLU 32 CO 0.04 -0.15 -0.24 -0.92 -1.16 0.00 0.00 179.01 176.59 2k36 h TYR 33 N -0.23 -0.62 -0.18 4.33 3.20 -0.38 0.78 116.97 123.87 2k36 h TYR 33 Ca 0.01 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2k36 h TYR 33 Cb 0.23 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2k36 h TYR 33 CO -0.13 -0.35 0.23 0.82 -1.64 0.00 0.00 178.16 177.09 2k36 h ILE 34 N -0.74 0.39 0.20 1.81 1.08 -1.20 0.30 117.51 119.35 2k36 h ILE 34 Ca -0.07 0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.08 2k36 h ILE 34 Cb 0.55 0.81 0.02 0.00 -3.07 0.00 0.00 36.82 35.13 2k36 h ILE 34 CO 0.11 0.00 -1.50 0.74 -0.69 0.00 0.00 178.15 176.81 2k36 h THR 35 N 0.00 1.24 0.25 -0.27 2.02 -0.14 -3.36 112.91 112.65 2k36 h THR 35 Ca 0.09 -2.74 -0.01 0.00 0.77 0.00 0.00 66.41 64.51 2k36 h THR 35 Cb 0.55 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 2k36 h THR 35 CO -0.00 0.84 -0.12 -0.25 0.37 0.00 0.00 175.52 176.36 2k36 h TRP 36 N 0.12 -0.31 0.00 3.16 7.01 0.42 -0.97 115.95 125.38 2k36 h TRP 36 Ca -0.25 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.74 2k36 h TRP 36 Cb 2.11 0.10 0.00 0.00 -2.10 0.00 0.00 29.16 29.27 2k36 h TRP 36 CO 0.10 0.01 0.00 2.89 -2.79 0.00 0.00 178.44 178.65 2k36 n ARG 37 N -5.10 0.78 -0.05 2.65 0.00 -0.31 -0.65 116.66 113.98 2k36 n ARG 37 Ca -0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.56 2k36 n ARG 37 Cb 0.24 -1.32 -0.13 0.00 -0.00 0.00 0.00 32.46 31.26 2k36 n ARG 37 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2k36 h ASN 38 N 0.00 0.17 -0.58 2.89 -0.73 -1.58 -3.37 115.58 112.38 2k36 h ASN 38 Ca 0.00 -0.78 0.13 0.00 1.87 0.00 0.00 56.30 57.53 2k36 h ASN 38 Cb 0.00 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 2k36 h ASN 38 CO 0.00 1.43 0.40 0.45 -0.37 0.00 0.00 177.43 179.34 2k36 h HIS 39 N -0.69 0.22 0.00 0.67 3.86 0.48 0.19 115.15 119.88 2k36 h HIS 39 Ca -0.25 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2k36 h HIS 39 Cb 1.43 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.83 2k36 h HIS 39 CO 0.15 0.09 -0.01 0.28 0.86 0.00 0.00 177.93 179.31 2k36 h VAL 40 N 0.20 0.46 0.00 2.45 2.07 -1.53 -0.29 116.25 119.61 2k36 h VAL 40 Ca 0.28 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2k36 h VAL 40 Cb 0.83 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2k36 h VAL 40 CO -0.05 0.01 -0.33 -0.38 0.02 0.00 0.00 177.57 176.84 2k36 n ILE 41 N -3.73 0.77 -0.15 4.57 2.08 0.62 -1.40 119.36 122.11 2k36 n ILE 41 Ca -0.03 0.34 -0.03 0.00 0.56 0.00 0.00 62.75 63.59 2k36 n ILE 41 Cb 0.09 -1.97 0.05 0.00 -0.75 0.00 0.00 39.64 37.05 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 -0.54 0.61 -0.00 1.39 2.07 -1.40 -0.65 116.25 117.72 2k36 h VAL 42 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k36 h VAL 42 Cb 0.33 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2k36 h VAL 42 CO 0.00 0.02 -0.45 0.49 0.02 0.00 0.00 177.57 177.65 2k36 n PHE 43 N -5.25 0.00 -3.83 1.57 3.01 -0.13 -4.86 117.46 107.98 2k36 n PHE 43 Ca 0.05 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.24 2k36 n PHE 43 Cb 0.26 -0.21 0.01 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.27 -1.99 -3.17 4.37 2.85 -0.25 -4.55 115.26 111.25 2k36 n ASN 44 Ca 0.07 -0.98 0.00 0.00 -0.11 0.00 0.00 54.58 53.56 2k36 n ASN 44 Cb 0.34 -3.32 0.00 0.00 1.24 0.00 0.00 39.78 38.04 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 -4.32 2.81 -4.87 1.20 5.02 -0.49 -4.94 118.16 112.56 2k36 n LYS 45 Ca -0.24 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.78 2k36 n LYS 45 Cb 0.66 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.51 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 -1.17 2.23 0.31 4.39 1.11 -1.26 -4.89 116.67 117.39 2k36 s ASP 46 Ca 0.00 -0.36 0.13 0.00 0.18 0.00 0.00 52.55 52.49 2k36 s ASP 46 Cb 0.00 -0.61 0.50 0.00 1.07 0.00 0.00 42.92 43.88 2k36 s ASP 46 CO 0.00 0.16 1.68 -0.29 1.18 0.00 0.00 175.17 177.90 2k36 h ILE 47 N 5.23 1.28 0.00 0.77 6.09 -1.98 -2.70 117.51 126.20 2k36 h ILE 47 Ca -0.33 -1.83 0.00 0.00 -1.37 0.00 0.00 64.86 61.33 2k36 h ILE 47 Cb 1.17 2.01 0.00 0.00 0.47 0.00 0.00 36.82 40.48 2k36 h ILE 47 CO 0.48 0.51 0.00 0.71 -3.07 0.00 0.00 178.15 176.78 2k36 h THR 48 N 0.00 0.00 -1.51 2.19 1.35 -2.01 -3.39 112.91 109.54 2k36 h THR 48 Ca -0.01 -0.56 -0.69 0.00 -0.55 0.00 0.00 66.41 64.61 2k36 h THR 48 Cb 0.97 1.50 -0.13 0.00 -1.73 0.00 0.00 68.15 68.77 2k36 h THR 48 CO 0.07 0.00 1.65 -0.55 -0.25 0.00 0.00 175.52 176.44 2k36 s SER 49 N -5.13 6.83 0.00 5.36 0.15 -1.02 -4.80 113.70 115.09 2k36 s SER 49 Ca 0.06 -2.40 0.00 0.00 0.70 0.00 0.00 55.95 54.31 2k36 s SER 49 Cb 0.09 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2k36 s SER 49 CO 0.56 -1.08 0.00 0.00 1.20 0.00 0.00 173.24 173.92 2k36 n GLY 51 N 0.00 3.74 0.13 0.00 0.00 0.12 -4.79 105.19 104.38 2k36 n GLY 51 Ca 0.00 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 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 0.34 -0.89 1.61 3.08 -1.82 -3.26 114.38 113.43 2k36 h ARG 52 Ca 0.00 -0.29 0.18 0.00 0.07 0.00 0.00 59.98 59.94 2k36 h ARG 52 Cb 0.00 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.01 2k36 h ARG 52 CO 0.00 0.94 0.46 1.25 -1.07 0.00 0.00 179.97 181.55 2k36 h LEU 53 N -0.17 0.52 -0.98 3.04 6.46 -1.83 -1.96 115.31 120.39 2k36 h LEU 53 Ca -0.03 0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.74 2k36 h LEU 53 Cb 1.02 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 2k36 h LEU 53 CO 0.07 0.16 -0.46 1.88 -0.62 0.00 0.00 178.44 179.47 2k36 h TYR 54 N 0.58 0.13 -0.65 1.25 -1.99 -1.79 -3.01 116.97 111.49 2k36 h TYR 54 Ca 0.52 -0.04 0.05 0.00 2.00 0.00 0.00 58.73 61.26 2k36 h TYR 54 Cb 0.84 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.50 2k36 h TYR 54 CO -0.09 0.55 0.43 0.87 -0.00 0.00 0.00 178.16 179.92 2k36 h LYS 55 N 0.09 0.68 -0.18 4.88 1.79 -1.44 -1.36 116.57 121.03 2k36 h LYS 55 Ca 0.00 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 2k36 h LYS 55 Cb 0.85 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2k36 h LYS 55 CO 0.06 0.45 -0.62 0.93 -1.08 0.00 0.00 179.45 179.20 2k36 h GLU 56 N 0.71 0.61 -0.84 3.15 3.07 -1.63 -2.53 114.58 117.11 2k36 h GLU 56 Ca 0.27 -0.42 0.03 0.00 -0.50 0.00 0.00 59.36 58.74 2k36 h GLU 56 Cb 0.18 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.11 2k36 h GLU 56 CO -0.08 1.04 0.55 -0.07 -1.40 0.00 0.00 179.01 179.05 2k36 h LEU 57 N 0.45 0.90 -1.76 1.33 -0.00 -1.35 -0.90 115.31 113.98 2k36 h LEU 57 Ca -0.01 -0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.92 2k36 h LEU 57 Cb 1.19 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 2k36 h LEU 57 CO 0.12 0.62 0.27 0.24 -0.00 0.00 0.00 178.44 179.68 2k36 h MET 58 N 1.05 0.28 0.00 1.13 2.86 -0.94 -0.09 114.93 119.22 2k36 h MET 58 Ca 0.33 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2k36 h MET 58 Cb 0.03 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2k36 h MET 58 CO -0.10 0.19 0.00 1.63 1.06 0.00 0.00 176.91 179.69 2k36 n LYS 59 N -4.48 0.15 0.11 1.72 5.02 -0.35 -1.93 118.16 118.41 2k36 n LYS 59 Ca 0.05 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.73 2k36 n LYS 59 Cb 0.25 -1.73 0.43 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.92 -0.06 2.13 3.72 -0.05 -0.30 117.46 121.81 2k36 n PHE 60 Ca 0.04 0.29 -0.12 0.00 -0.05 0.00 0.00 57.45 57.60 2k36 n PHE 60 Cb 0.30 -0.97 -0.06 0.00 -0.94 0.00 0.00 39.48 37.81 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 0.38 -0.26 4.37 3.58 -1.46 -2.82 116.42 120.21 2k36 h ASP 61 Ca 0.00 -0.42 -0.13 0.00 0.42 0.00 0.00 57.03 56.90 2k36 h ASP 61 Cb 0.65 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 2k36 h ASP 61 CO 0.00 0.72 -0.33 -0.78 -2.88 0.00 0.00 179.24 175.97 2k36 h ASP 62 N 0.04 0.75 -0.33 2.28 3.58 -1.39 0.11 116.42 121.45 2k36 h ASP 62 Ca 0.04 -0.50 -0.03 0.00 0.42 0.00 0.00 57.03 56.96 2k36 h ASP 62 Cb 0.58 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2k36 h ASP 62 CO 0.03 1.09 0.12 1.62 -2.88 0.00 0.00 179.24 179.22 2k36 h VAL 63 N 0.42 1.17 -0.18 2.25 3.04 -0.76 0.44 116.25 122.63 2k36 h VAL 63 Ca 0.03 -0.58 -0.18 0.00 -1.01 0.00 0.00 66.70 64.96 2k36 h VAL 63 Cb 0.91 0.74 0.01 0.00 -2.01 0.00 0.00 31.29 30.94 2k36 h VAL 63 CO 0.08 0.22 -0.58 0.00 -1.01 0.00 0.00 177.57 176.27 2k36 h ALA 64 N 1.56 0.31 -0.60 3.17 0.00 -1.20 0.15 119.26 122.66 2k36 h ALA 64 Ca 0.14 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k36 h ALA 64 Cb 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2k36 h ALA 64 CO -0.01 0.55 0.40 0.82 0.00 0.00 0.00 179.25 181.01 2k36 h ILE 65 N 0.41 1.12 -0.07 0.00 2.04 0.03 0.61 117.51 121.65 2k36 h ILE 65 Ca -0.02 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2k36 h ILE 65 Cb 1.21 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2k36 h ILE 65 CO 0.12 0.14 0.01 -0.09 0.00 0.00 0.00 178.15 178.34 2k36 h ARG 66 N 0.76 0.12 0.00 2.37 9.65 0.00 -2.85 114.38 124.43 2k36 h ARG 66 Ca 0.23 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 2k36 h ARG 66 Cb -0.01 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 2k36 h ARG 66 CO -0.06 0.34 0.00 0.98 2.80 0.00 0.00 179.97 184.03 2k36 n TYR 67 N -4.88 0.00 -0.04 2.20 4.19 0.52 -4.41 117.16 114.74 2k36 n TYR 67 Ca -0.06 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.02 2k36 n TYR 67 Cb 0.16 -0.39 -0.00 0.00 0.49 0.00 0.00 39.34 39.60 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 0.93 0.00 2.98 0.05 -0.02 -3.49 116.97 117.42 2k36 h TYR 68 Ca 0.00 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.44 2k36 h TYR 68 Cb 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.57 2k36 h TYR 68 CO 0.01 1.13 0.00 0.41 -1.05 0.00 0.00 178.16 178.65 2k36 n GLY 69 N 0.34 2.88 0.21 3.88 0.00 -0.75 -4.54 105.19 107.21 2k36 n GLY 69 Ca -0.04 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 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 0.13 -0.61 6.09 -1.83 0.79 117.51 123.17 2k36 h ILE 70 Ca 0.00 -0.22 -0.00 0.00 -1.37 0.00 0.00 64.86 63.26 2k36 h ILE 70 Cb 0.00 0.38 -0.00 0.00 0.47 0.00 0.00 36.82 37.67 2k36 h ILE 70 CO 0.00 0.12 -0.08 -0.78 -3.07 0.00 0.00 178.15 174.34 2k36 h ASP 71 N 0.66 -0.19 -0.40 2.19 3.58 -1.92 0.31 116.42 120.64 2k36 h ASP 71 Ca 0.19 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.68 2k36 h ASP 71 Cb -0.04 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 2k36 h ASP 71 CO -0.06 -0.13 0.22 0.11 -2.88 0.00 0.00 179.24 176.50 2k36 h LYS 72 N -0.20 0.43 -0.35 0.28 1.79 -1.73 -0.99 116.57 115.80 2k36 h LYS 72 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2k36 h LYS 72 Cb 0.17 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2k36 h LYS 72 CO 0.01 0.29 0.23 0.82 -1.08 0.00 0.00 179.45 179.72 2k36 h ILE 73 N 0.45 1.10 -0.38 1.86 2.04 -0.50 0.99 117.51 123.06 2k36 h ILE 73 Ca 0.17 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2k36 h ILE 73 Cb 0.04 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 2k36 h ILE 73 CO -0.10 0.09 0.02 0.78 0.00 0.00 0.00 178.15 178.95 2k36 h ASN 74 N 0.47 -0.10 -0.37 1.72 2.35 0.07 0.56 115.58 120.28 2k36 h ASN 74 Ca 0.13 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 2k36 h ASN 74 Cb -0.04 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2k36 h ASN 74 CO -0.03 -0.02 0.11 -0.33 -1.65 0.00 0.00 177.43 175.52 2k36 h GLU 75 N 0.13 0.58 0.15 0.81 5.08 -0.86 -3.25 114.58 117.23 2k36 h GLU 75 Ca 0.18 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2k36 h GLU 75 Cb 0.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k36 h GLU 75 CO -0.29 0.60 -0.07 0.82 -1.00 0.00 0.00 179.01 179.07 2k36 h ILE 76 N 0.45 0.99 -0.09 3.13 5.03 -0.13 -2.79 117.51 124.11 2k36 h ILE 76 Ca 0.12 -0.80 0.04 0.00 -0.12 0.00 0.00 64.86 64.10 2k36 h ILE 76 Cb 0.27 1.46 -0.06 0.00 -3.03 0.00 0.00 36.82 35.46 2k36 h ILE 76 CO -0.00 0.18 -0.27 1.62 -0.68 0.00 0.00 178.15 178.99 2k36 h VAL 77 N -0.60 0.37 -0.14 1.67 3.04 0.01 0.61 116.25 121.20 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 0.46 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 2k36 h VAL 77 CO 0.03 0.00 0.05 -0.33 -1.01 0.00 0.00 177.57 176.32 2k36 h GLU 78 N -0.37 0.19 -0.11 4.17 5.08 -1.65 -1.86 114.58 120.04 2k36 h GLU 78 Ca 0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2k36 h GLU 78 Cb 0.50 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k36 h GLU 78 CO -0.30 0.17 -0.04 0.00 -1.00 0.00 0.00 179.01 177.84 2k36 h ALA 79 N 1.87 0.15 -0.46 3.43 0.00 -0.87 -2.86 119.26 120.51 2k36 h ALA 79 Ca 0.05 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.86 2k36 h ALA 79 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2k36 h ALA 79 CO -0.01 -0.09 0.58 0.52 0.00 0.00 0.00 179.25 180.25 2k36 h MET 80 N -0.12 0.00 0.00 0.00 2.86 -0.11 0.24 114.93 117.79 2k36 h MET 80 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k36 h MET 80 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2k36 h MET 80 CO 0.01 0.00 0.00 0.77 1.06 0.00 0.00 176.91 178.75 2k36 h SER 81 N 0.00 0.00 0.13 1.22 0.02 -1.23 0.22 113.55 113.91 2k36 h SER 81 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2k36 h SER 81 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2k36 h SER 81 CO -0.00 0.00 -0.79 -0.62 -1.14 0.00 0.00 176.83 174.28 2k36 n GLU 82 N -2.67 0.16 -3.01 3.45 1.02 0.82 -2.59 120.64 117.82 2k36 n GLU 82 Ca -0.00 -0.12 -0.01 0.00 -0.02 0.00 0.00 57.16 57.01 2k36 n GLU 82 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2k36 n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k36 n GLY 83 N 1.48 -1.20 2.01 0.62 0.00 0.77 -4.96 105.19 103.92 2k36 n GLY 83 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.80 -0.36 -2.10 1.61 2.03 -1.26 -5.07 116.55 109.60 2k36 n ASP 84 Ca -0.00 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.68 2k36 n ASP 84 Cb 0.50 0.51 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 2k36 n ASP 84 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2k36 n HIS 85 N -3.19 -3.00 -0.29 -0.67 -0.00 -1.26 -5.02 115.22 101.78 2k36 n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2k36 n HIS 85 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2k36 n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2k36 n TYR 86 N -1.43 -0.80 0.00 4.41 4.02 -1.26 -4.95 117.16 117.14 2k36 n TYR 86 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 2k36 n TYR 86 Cb 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 39.34 38.25 2k36 n TYR 86 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2k36 n ILE 87 N -1.74 0.00 -3.23 -0.72 -0.00 -1.26 -5.13 119.36 107.27 2k36 n ILE 87 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.55 2k36 n ILE 87 Cb 0.09 -0.06 0.02 0.00 -0.00 0.00 0.00 39.64 39.70 2k36 n ILE 87 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2k36 s ASN 88 N -1.19 5.17 0.05 4.38 -0.87 -1.26 -5.09 114.94 116.13 2k36 s ASN 88 Ca 0.00 -0.78 0.00 0.00 -1.57 0.00 0.00 52.86 50.51 2k36 s ASN 88 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 2k36 s ASN 88 CO 0.00 -1.05 0.00 0.49 -2.57 0.00 0.00 177.10 173.97 2k36 n PHE 89 N -1.97 -0.13 -2.67 2.20 3.72 -1.26 -5.02 117.46 112.33 2k36 n PHE 89 Ca 0.09 0.02 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 2k36 n PHE 89 Cb 0.61 0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 39.20 2k36 n PHE 89 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2k36 s THR 90 N -1.38 4.70 -0.07 4.37 -4.23 -1.26 -4.84 115.64 112.93 2k36 s THR 90 Ca 0.00 2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 62.46 2k36 s THR 90 Cb 0.00 -4.30 -0.04 0.00 1.34 0.00 0.00 72.50 69.50 2k36 s THR 90 CO 0.00 -0.15 0.27 0.50 -0.54 0.00 0.00 174.62 174.70 2k36 h LYS 91 N 7.41 -0.22 -6.76 3.99 3.64 -1.95 -3.46 116.57 119.21 2k36 h LYS 91 Ca -0.21 0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.50 2k36 h LYS 91 Cb 1.07 0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 32.74 2k36 h LYS 91 CO 0.96 -0.15 -0.82 0.14 -2.27 0.00 0.00 179.45 177.31 2k36 s VAL 92 N -2.29 2.65 -1.06 2.00 -7.23 -1.26 -5.06 120.40 108.15 2k36 s VAL 92 Ca -0.03 -1.54 -0.22 0.00 -1.81 0.00 0.00 61.98 58.37 2k36 s VAL 92 Cb 0.00 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.77 2k36 s VAL 92 CO 0.10 0.13 1.64 -2.28 -0.31 0.00 0.00 175.10 174.38 2k36 s HIS 93 N -1.09 2.39 -0.08 2.82 2.46 -1.26 -4.68 115.29 115.85 2k36 s HIS 93 Ca 0.16 -0.60 -0.23 0.00 0.47 0.00 0.00 55.06 54.86 2k36 s HIS 93 Cb -0.10 -4.53 0.05 0.00 -0.13 0.00 0.00 32.58 27.87 2k36 s HIS 93 CO 0.08 -1.82 0.54 0.34 -2.47 0.00 0.00 174.74 171.40 2k36 s ASP 94 N 5.56 -0.49 0.23 9.88 2.15 -1.26 -5.07 116.67 127.67 2k36 s ASP 94 Ca 0.54 0.62 -0.07 0.00 0.43 0.00 0.00 52.55 54.07 2k36 s ASP 94 Cb -0.01 0.61 0.41 0.00 -0.30 0.00 0.00 42.92 43.63 2k36 s ASP 94 CO -0.03 -0.46 1.66 -0.61 -0.17 0.00 0.00 175.17 175.57 2k36 h GLN 95 N 3.81 0.17 -0.84 4.34 4.15 -1.98 0.18 115.11 124.95 2k36 h GLN 95 Ca -0.28 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.20 2k36 h GLN 95 Cb 1.16 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.74 2k36 h GLN 95 CO 0.34 0.11 0.50 1.49 -1.93 0.00 0.00 178.83 179.34 2k36 h GLU 96 N 0.18 0.86 0.00 1.69 4.81 -1.97 0.23 114.58 120.37 2k36 h GLU 96 Ca 0.39 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.39 2k36 h GLU 96 Cb 0.66 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2k36 h GLU 96 CO -0.55 0.57 -0.84 1.03 -0.73 0.00 0.00 179.01 178.48 2k36 h SER 97 N 0.88 0.00 -0.00 1.04 0.87 -1.37 -1.40 113.55 113.58 2k36 h SER 97 Ca 0.38 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2k36 h SER 97 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2k36 h SER 97 CO -0.20 0.84 0.00 -0.07 -0.53 0.00 0.00 176.83 176.87 2k36 h LEU 98 N 0.00 0.00 -0.65 2.23 3.38 0.98 -0.91 115.31 120.34 2k36 h LEU 98 Ca -0.01 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2k36 h LEU 98 Cb 1.57 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 2k36 h LEU 98 CO 0.11 0.09 0.19 -0.26 0.09 0.00 0.00 178.44 178.66 2k36 h PHE 99 N -0.09 1.06 -0.34 1.13 -1.00 -0.66 -2.69 116.94 114.36 2k36 h PHE 99 Ca 0.00 -0.11 0.08 0.00 2.81 0.00 0.00 57.97 60.74 2k36 h PHE 99 Cb 0.09 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.33 2k36 h PHE 99 CO -0.05 0.87 0.24 0.00 -1.61 0.00 0.00 178.31 177.76 2k36 h ALA 100 N 1.07 2.16 -0.18 2.45 0.00 -0.95 -0.49 119.26 123.33 2k36 h ALA 100 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2k36 h ALA 100 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2k36 h ALA 100 CO -0.00 -0.25 -0.25 1.15 0.00 0.00 0.00 179.25 179.90 2k36 h THR 101 N 0.12 1.25 0.13 0.00 2.02 -0.81 -2.04 112.91 113.57 2k36 h THR 101 Ca 0.16 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 2k36 h THR 101 Cb 0.47 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2k36 h THR 101 CO -0.02 0.36 -0.06 0.40 0.37 0.00 0.00 175.52 176.57 2k36 h ILE 102 N 0.29 1.06 -0.52 3.11 5.03 -1.14 -3.02 117.51 122.32 2k36 h ILE 102 Ca 0.05 -0.99 -0.11 0.00 -0.12 0.00 0.00 64.86 63.69 2k36 h ILE 102 Cb 0.60 1.65 -0.02 0.00 -3.03 0.00 0.00 36.82 36.03 2k36 h ILE 102 CO 0.04 0.23 -0.09 1.23 -0.68 0.00 0.00 178.15 178.88 2k36 h GLY 103 N -0.66 1.06 0.86 5.37 0.00 -1.34 0.17 103.07 108.52 2k36 h GLY 103 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 47.33 46.50 2k36 h GLY 103 CO 0.03 0.78 0.40 1.19 0.00 0.00 0.00 176.54 178.94 2k36 h ILE 104 N 0.85 1.08 0.00 2.60 6.09 -1.49 0.32 117.51 126.96 2k36 h ILE 104 Ca 0.14 -0.27 -0.07 0.00 -1.37 0.00 0.00 64.86 63.29 2k36 h ILE 104 Cb 0.64 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.14 2k36 h ILE 104 CO 0.04 0.14 -0.33 0.00 -3.07 0.00 0.00 178.15 174.94 2k36 h ALA 106 N 1.67 -0.19 0.00 0.00 0.00 0.67 -3.00 119.26 118.40 2k36 h ALA 106 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k36 h ALA 106 Cb 0.88 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k36 h ALA 106 CO 0.04 -0.39 -0.06 -0.22 0.00 0.00 0.00 179.25 178.63 2k36 h LYS 107 N -0.63 0.00 0.30 0.00 1.63 -0.94 -1.73 116.57 115.20 2k36 h LYS 107 Ca -0.02 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2k36 h LYS 107 Cb 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2k36 h LYS 107 CO 0.03 0.06 -0.14 0.82 -3.45 0.00 0.00 179.45 176.76 2k36 h ILE 108 N 0.00 0.68 0.00 2.00 2.04 -1.57 -3.11 117.51 117.55 2k36 h ILE 108 Ca -0.00 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 2k36 h ILE 108 Cb 0.10 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2k36 h ILE 108 CO 0.01 0.12 -0.29 0.00 0.00 0.00 0.00 178.15 177.99 2k36 h THR 109 N -0.79 0.83 0.08 -0.27 1.03 -1.19 -3.08 112.91 109.51 2k36 h THR 109 Ca -0.04 -1.18 -0.25 0.00 -0.01 0.00 0.00 66.41 64.93 2k36 h THR 109 Cb 0.51 1.72 -0.00 0.00 -1.07 0.00 0.00 68.15 69.31 2k36 h THR 109 CO 0.07 0.29 -1.12 1.05 -0.01 0.00 0.00 175.52 175.79 2k36 h GLU 110 N 0.00 0.24 -0.26 0.00 4.11 -1.47 -3.21 114.58 114.00 2k36 h GLU 110 Ca -0.00 -0.36 0.07 0.00 0.07 0.00 0.00 59.36 59.14 2k36 h GLU 110 Cb 0.70 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2k36 h GLU 110 CO 0.04 1.14 0.23 1.25 0.07 0.00 0.00 179.01 181.74 2k36 h HIS 111 N 0.09 0.00 0.00 2.06 2.76 -1.46 -0.14 115.15 118.46 2k36 h HIS 111 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2k36 h HIS 111 Cb 1.83 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.79 2k36 h HIS 111 CO 0.05 0.00 0.00 -1.49 -1.30 0.00 0.00 177.93 175.19 2k36 h TRP 112 N 0.00 0.00 -0.84 5.26 6.55 -1.67 -3.32 115.95 121.93 2k36 h TRP 112 Ca 0.12 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.94 2k36 h TRP 112 Cb 0.58 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.84 2k36 h TRP 112 CO 0.00 0.00 0.44 0.78 -1.05 0.00 0.00 178.44 178.61 2k36 h GLY 113 N 2.05 1.28 0.56 1.49 0.00 -1.19 0.25 103.07 107.51 2k36 h GLY 113 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 2k36 h GLY 113 CO 0.00 0.58 -0.50 -0.97 0.00 0.00 0.00 176.54 175.65 2k36 h TYR 114 N 1.19 -1.38 -0.33 5.60 0.05 -1.77 -3.17 116.97 117.15 2k36 h TYR 114 Ca 0.29 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.08 2k36 h TYR 114 Cb 0.07 0.53 0.00 0.00 1.01 0.00 0.00 36.73 38.34 2k36 h TYR 114 CO 0.01 -0.68 0.00 0.36 -1.05 0.00 0.00 178.16 176.80 2k36 n LYS 115 N -5.51 2.89 -2.82 4.88 2.85 -1.24 -4.91 118.16 114.29 2k36 n LYS 115 Ca -0.13 -2.16 -0.03 0.00 -1.05 0.00 0.00 58.31 54.94 2k36 n LYS 115 Cb 0.47 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 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 0.37 -1.64 -3.19 -1.58 5.02 0.63 -5.02 118.16 112.76 2k36 n LYS 116 Ca 0.13 1.66 -0.26 0.00 -2.02 0.00 0.00 58.31 57.82 2k36 n LYS 116 Cb 0.49 -5.33 -0.02 0.00 -0.02 0.00 0.00 35.03 30.16 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 -2.75 5.03 -0.16 -0.18 1.01 0.17 -4.70 121.20 119.62 2k36 s ILE 117 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 2k36 s ILE 117 Cb -0.03 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2k36 s ILE 117 CO 0.69 -0.55 0.18 -0.24 0.00 0.00 0.00 174.94 175.02 2k36 n SER 118 N -1.62 -3.71 -3.93 3.58 2.88 -1.07 -4.80 113.62 104.95 2k36 n SER 118 Ca -0.02 0.09 -0.43 0.00 -1.33 0.00 0.00 58.87 57.18 2k36 n SER 118 Cb 0.55 -2.26 0.01 0.00 -0.75 0.00 0.00 64.21 61.75 2k36 n SER 118 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k36 n GLU 119 N -0.75 3.83 -1.69 -1.46 2.13 -1.26 -4.50 120.64 116.94 2k36 n GLU 119 Ca 0.02 -3.81 -0.29 0.00 0.66 0.00 0.00 57.16 53.74 2k36 n GLU 119 Cb 0.28 -2.82 -0.04 0.00 0.27 0.00 0.00 31.44 29.12 2k36 n GLU 119 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k36 s SER 120 N 0.29 4.48 0.00 4.31 0.01 -1.26 -4.59 113.70 116.94 2k36 s SER 120 Ca 0.37 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2k36 s SER 120 Cb 0.08 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2k36 s SER 120 CO 0.03 -3.09 0.00 0.54 0.41 0.00 0.00 173.24 171.13 2k36 n ARG 121 N 8.97 0.00 0.00 12.44 1.74 -1.26 -1.25 116.66 137.29 2k36 n ARG 121 Ca 0.37 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2k36 n ARG 121 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2k36 n ARG 121 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2k36 n PHE 122 N 0.00 0.00 -3.76 -1.55 3.72 -1.26 -5.02 117.46 109.59 2k36 n PHE 122 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 2k36 n PHE 122 Cb 0.00 0.00 -0.18 0.00 -0.94 0.00 0.00 39.48 38.36 2k36 n PHE 122 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2k36 s GLN 123 N -1.20 0.55 -0.04 -1.08 -1.52 -0.38 -5.11 119.66 110.87 2k36 s GLN 123 Ca 0.00 0.11 -0.30 0.00 -1.95 0.00 0.00 55.36 53.22 2k36 s GLN 123 Cb 0.00 -0.99 -0.06 0.00 -0.22 0.00 0.00 33.01 31.74 2k36 s GLN 123 CO 0.00 -0.32 1.67 0.45 -0.25 0.00 0.00 175.29 176.84 2k36 s SER 124 N 1.99 6.65 0.15 5.90 0.15 -1.26 -4.23 113.70 123.06 2k36 s SER 124 Ca 0.05 2.28 0.08 0.00 0.70 0.00 0.00 55.95 59.05 2k36 s SER 124 Cb -0.12 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2k36 s SER 124 CO -0.05 -0.93 -0.05 -1.48 1.20 0.00 0.00 173.24 171.93 2k36 s LEU 125 N 3.99 3.16 0.00 3.45 0.05 -1.26 -4.97 118.68 123.10 2k36 s LEU 125 Ca 0.74 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 54.49 2k36 s LEU 125 Cb -0.34 -1.86 0.00 0.00 -2.05 0.00 0.00 46.19 41.94 2k36 s LEU 125 CO 0.30 0.12 0.00 0.61 -0.55 0.00 0.00 176.35 176.83 2k36 n GLY 126 N 0.16 3.66 3.18 -3.48 0.00 -1.26 -5.00 105.19 102.45 2k36 n GLY 126 Ca -0.11 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 1.00 0.24 0.00 1.61 3.84 -1.26 -5.15 114.94 115.22 2k36 s ASN 127 Ca 0.00 -0.83 0.00 0.00 0.21 0.00 0.00 52.86 52.24 2k36 s ASN 127 Cb 0.00 0.30 0.00 0.00 -0.55 0.00 0.00 41.25 41.00 2k36 s ASN 127 CO 0.00 -0.71 0.00 2.30 -2.79 0.00 0.00 177.10 175.90 2k36 n ILE 128 N -0.03 0.00 0.29 -5.21 -5.35 -1.26 -5.00 119.36 102.80 2k36 n ILE 128 Ca -0.13 0.00 0.17 0.00 -0.27 0.00 0.00 62.75 62.52 2k36 n ILE 128 Cb 0.62 0.00 0.96 0.00 -1.74 0.00 0.00 39.64 39.48 2k36 n ILE 128 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2k36 h THR 129 N 0.77 0.39 0.00 7.28 2.02 -1.88 -2.40 112.91 119.09 2k36 h THR 129 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k36 h THR 129 Cb 0.00 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2k36 h THR 129 CO 0.00 0.00 0.13 -0.78 0.37 0.00 0.00 175.52 175.24 2k36 h ASP 130 N 0.00 0.00 1.00 4.18 3.58 -1.96 -0.09 116.42 123.13 2k36 h ASP 130 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k36 h ASP 130 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2k36 h ASP 130 CO -0.00 0.00 0.00 0.25 -2.88 0.00 0.00 179.24 176.61 2k36 h LEU 131 N 0.00 0.00 -9.05 2.28 6.46 -1.84 -3.43 115.31 109.72 2k36 h LEU 131 Ca 0.00 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.22 2k36 h LEU 131 Cb 0.26 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.05 2k36 h LEU 131 CO 0.00 0.00 -0.75 0.00 -0.62 0.00 0.00 178.44 177.07 2k36 s MET 132 N -3.34 1.51 0.45 1.25 0.23 -0.05 -4.88 119.30 114.48 2k36 s MET 132 Ca 0.05 -1.68 0.00 0.00 -1.03 0.00 0.00 55.69 53.04 2k36 s MET 132 Cb 0.10 -1.46 0.09 0.00 -1.53 0.00 0.00 34.83 32.02 2k36 s MET 132 CO 0.48 0.26 0.62 0.25 -2.03 0.00 0.00 175.02 174.60 2k36 n THR 133 N -0.48 0.00 0.10 3.16 -2.24 -1.26 -4.95 114.28 108.61 2k36 n THR 133 Ca -0.07 -1.00 -0.20 0.00 -2.27 0.00 0.00 64.05 60.51 2k36 n THR 133 Cb 0.60 -1.06 -0.15 0.00 -2.10 0.00 0.00 70.33 67.63 2k36 n THR 133 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2k36 h ASP 134 N -0.36 0.57 1.10 3.42 3.58 -1.98 -2.94 116.42 119.81 2k36 h ASP 134 Ca -0.21 -0.68 -0.03 0.00 0.42 0.00 0.00 57.03 56.53 2k36 h ASP 134 Cb 0.77 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 2k36 h ASP 134 CO 0.22 1.55 -0.15 -0.78 -2.88 0.00 0.00 179.24 177.20 2k36 h ASP 135 N 0.10 0.00 1.17 2.28 3.58 -2.01 -2.76 116.42 118.79 2k36 h ASP 135 Ca -0.23 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.11 2k36 h ASP 135 Cb 2.06 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.10 2k36 h ASP 135 CO 0.21 0.15 -0.52 -1.13 -2.88 0.00 0.00 179.24 175.07 2k36 h ASN 136 N 0.00 0.00 -0.75 2.28 -1.24 -1.89 -0.59 115.58 113.39 2k36 h ASN 136 Ca -0.00 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.04 2k36 h ASN 136 Cb 0.75 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.75 2k36 h ASN 136 CO 0.02 0.52 0.47 0.40 -1.29 0.00 0.00 177.43 177.55 2k36 h ILE 137 N 0.00 1.10 -0.11 2.57 2.04 -1.42 0.35 117.51 122.03 2k36 h ILE 137 Ca -0.01 -0.32 -0.22 0.00 1.00 0.00 0.00 64.86 65.32 2k36 h ILE 137 Cb 1.25 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2k36 h ILE 137 CO 0.07 0.17 -0.81 0.78 0.00 0.00 0.00 178.15 178.36 2k36 h ASN 138 N 0.92 0.81 -0.88 1.72 2.35 -1.23 -1.68 115.58 117.59 2k36 h ASN 138 Ca 0.30 -0.55 -0.02 0.00 -0.55 0.00 0.00 56.30 55.48 2k36 h ASN 138 Cb 0.03 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 2k36 h ASN 138 CO -0.12 1.33 0.46 0.40 -1.65 0.00 0.00 177.43 177.86 2k36 h ILE 139 N 0.45 1.26 0.19 2.81 5.03 -0.88 -1.66 117.51 124.71 2k36 h ILE 139 Ca -0.06 -0.68 -0.01 0.00 -0.12 0.00 0.00 64.86 63.99 2k36 h ILE 139 Cb 1.42 0.10 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 2k36 h ILE 139 CO 0.16 0.30 -0.09 0.25 -0.68 0.00 0.00 178.15 178.09 2k36 h LEU 140 N 1.24 -0.22 -0.71 1.44 7.12 -0.14 0.47 115.31 124.51 2k36 h LEU 140 Ca 0.31 -0.12 0.14 0.00 0.13 0.00 0.00 57.88 58.33 2k36 h LEU 140 Cb 0.07 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.16 2k36 h LEU 140 CO -0.04 -0.01 0.24 0.40 -0.13 0.00 0.00 178.44 178.90 2k36 h ILE 141 N -0.43 0.63 -0.14 4.05 1.08 -1.15 -0.52 117.51 121.04 2k36 h ILE 141 Ca -0.03 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 2k36 h ILE 141 Cb 0.33 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2k36 h ILE 141 CO 0.04 0.07 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.48 2k36 h LEU 142 N 0.37 0.25 -0.36 1.44 4.07 -0.78 0.47 115.31 120.78 2k36 h LEU 142 Ca 0.39 -0.35 0.04 0.00 0.08 0.00 0.00 57.88 58.04 2k36 h LEU 142 Cb 0.60 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 2k36 h LEU 142 CO -0.42 0.55 0.11 0.15 -1.08 0.00 0.00 178.44 177.75 2k36 h PHE 143 N -0.04 0.20 -0.36 1.13 3.57 0.39 -2.44 116.94 119.39 2k36 h PHE 143 Ca 0.04 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 2k36 h PHE 143 Cb 0.43 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2k36 h PHE 143 CO 0.05 0.08 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.97 2k36 h LEU 144 N 0.26 0.76 -2.04 0.59 3.38 -0.95 -3.07 115.31 114.23 2k36 h LEU 144 Ca 0.17 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.82 2k36 h LEU 144 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2k36 h LEU 144 CO -0.18 0.99 0.37 -0.33 0.09 0.00 0.00 178.44 179.38 2k36 h GLU 145 N 0.53 0.00 -0.88 1.13 5.08 0.42 1.05 114.58 121.91 2k36 h GLU 145 Ca 0.08 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.66 2k36 h GLU 145 Cb 0.70 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.82 2k36 h GLU 145 CO 0.05 0.00 0.37 0.87 -1.00 0.00 0.00 179.01 179.30 2k36 h LYS 146 N 0.00 0.37 0.00 2.33 1.79 -1.39 -2.95 116.57 116.73 2k36 h LYS 146 Ca 0.14 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2k36 h LYS 146 Cb 0.88 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2k36 h LYS 146 CO -0.00 0.25 -0.36 1.63 -1.08 0.00 0.00 179.45 179.88 2k36 n LYS 147 N -5.06 4.70 -2.85 3.15 5.02 0.17 -5.02 118.16 118.27 2k36 n LYS 147 Ca 0.21 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.28 2k36 n LYS 147 Cb 0.64 -0.77 0.09 0.00 -0.02 0.00 0.00 35.03 34.97 2k36 n LYS 147 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k36 n LEU 148 N -1.19 0.00 0.00 -0.35 4.77 0.31 -5.04 117.00 115.50 2k36 n LEU 148 Ca 0.01 -2.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.59 2k36 n LEU 148 Cb 0.07 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2k36 n LEU 148 CO 0.09 -0.85 0.00 -3.20 -1.33 0.00 0.00 177.39 172.10