#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz n VAL 3 N 0.00 0.00 -0.29 5.15 0.31 -1.26 0.05 118.33 122.29 3huz n VAL 3 Ca 0.00 1.08 0.11 0.00 -0.01 0.00 0.00 64.34 65.51 3huz n VAL 3 Cb 0.00 -1.96 0.24 0.00 -0.91 0.00 0.00 33.84 31.22 3huz n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3huz h LYS 4 N 0.00 0.13 0.00 5.55 2.10 -2.04 -3.45 116.57 118.85 3huz h LYS 4 Ca 0.38 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 3huz h LYS 4 Cb 2.48 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.79 3huz h LYS 4 CO -0.00 0.08 0.00 -1.33 -2.00 0.00 0.00 179.45 176.20 3huz n MET 5 N -5.32 0.00 -3.61 0.07 2.81 0.11 -5.02 117.12 106.15 3huz n MET 5 Ca 0.19 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 56.00 3huz n MET 5 Cb 0.63 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.08 3huz n MET 5 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 3huz s HIS 6 N 0.00 -0.30 0.00 2.03 -3.43 -1.26 -5.13 115.29 107.20 3huz s HIS 6 Ca 0.00 0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.85 3huz s HIS 6 Cb 0.00 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 3huz s HIS 6 CO 0.00 -0.23 0.00 1.33 -2.00 0.00 0.00 174.74 173.84 3huz n VAL 7 N 1.11 0.00 0.00 -5.38 0.24 -1.26 -4.71 118.33 108.33 3huz n VAL 7 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3huz n VAL 7 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 3huz n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3huz n LYS 8 N 0.00 2.49 0.00 7.34 4.01 -1.26 -5.08 118.16 125.67 3huz n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3huz n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3huz n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3huz n LYS 9 N 0.00 0.00 -2.24 1.97 2.85 -1.26 -5.04 118.16 114.44 3huz n LYS 9 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 3huz n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3huz n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3huz n GLY 10 N 0.00 4.35 3.80 2.58 0.00 -1.26 -4.31 105.19 110.35 3huz n GLY 10 Ca 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 3huz n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3huz s ASP 11 N 2.01 -0.13 0.02 1.61 1.47 -1.26 -4.61 116.67 115.78 3huz s ASP 11 Ca 0.43 -0.55 -0.37 0.00 1.18 0.00 0.00 52.55 53.24 3huz s ASP 11 Cb 0.09 0.55 -0.16 0.00 -0.34 0.00 0.00 42.92 43.06 3huz s ASP 11 CO -0.02 -1.04 1.46 0.41 0.68 0.00 0.00 175.17 176.66 3huz n THR 12 N -0.52 0.07 -3.83 2.11 -1.04 -1.26 -3.76 114.28 106.04 3huz n THR 12 Ca -0.05 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.82 3huz n THR 12 Cb 0.60 -1.01 -0.12 0.00 -1.82 0.00 0.00 70.33 67.99 3huz n THR 12 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3huz s VAL 13 N 1.19 0.02 0.98 12.58 -7.23 -0.71 -3.22 120.40 124.02 3huz s VAL 13 Ca 0.87 -0.15 -0.17 0.00 -1.81 0.00 0.00 61.98 60.72 3huz s VAL 13 Cb -0.94 -0.25 0.23 0.00 0.56 0.00 0.00 36.38 35.98 3huz s VAL 13 CO 0.49 -0.08 1.25 -0.11 -0.31 0.00 0.00 175.10 176.34 3huz n LEU 14 N 2.68 0.00 -3.43 1.32 7.94 1.03 -3.58 117.00 122.95 3huz n LEU 14 Ca -0.15 -1.37 -0.23 0.00 -1.11 0.00 0.00 56.01 53.16 3huz n LEU 14 Cb 0.58 -0.98 -0.11 0.00 0.53 0.00 0.00 43.42 43.44 3huz n LEU 14 CO 0.21 -1.53 -0.24 -0.69 -1.11 0.00 0.00 177.39 174.04 3huz s VAL 15 N -3.68 -0.17 -0.35 1.96 1.01 -1.25 -2.14 120.40 115.78 3huz s VAL 15 Ca 0.72 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3huz s VAL 15 Cb -0.03 -0.93 0.52 0.00 0.00 0.00 0.00 36.38 35.95 3huz s VAL 15 CO 0.51 -0.70 1.65 0.00 0.00 0.00 0.00 175.10 176.57 3huz n ALA 16 N 4.64 4.63 -1.00 5.51 0.00 -0.74 0.11 120.51 133.66 3huz n ALA 16 Ca 0.05 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3huz n ALA 16 Cb 0.43 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3huz n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3huz n SER 17 N -0.54 0.00 0.00 0.00 3.41 -1.18 -4.96 113.62 110.35 3huz n SER 17 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 3huz n SER 17 Cb 1.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 3huz n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3huz n GLY 18 N 0.00 -0.06 0.10 5.00 0.00 -1.26 -4.81 105.19 104.15 3huz n GLY 18 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3huz n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3huz h LYS 19 N 0.00 0.17 -1.15 1.61 3.64 -1.98 -3.18 116.57 115.68 3huz h LYS 19 Ca 0.00 -0.24 -0.26 0.00 -1.27 0.00 0.00 60.65 58.88 3huz h LYS 19 Cb 0.00 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 31.76 3huz h LYS 19 CO 0.00 1.03 0.34 0.66 -2.27 0.00 0.00 179.45 179.21 3huz n TYR 20 N -4.42 1.46 -1.53 1.91 4.02 -1.26 -4.88 117.16 112.46 3huz n TYR 20 Ca -0.11 -1.37 -0.39 0.00 -0.01 0.00 0.00 57.90 56.02 3huz n TYR 20 Cb 0.59 -0.68 -0.06 0.00 -0.02 0.00 0.00 39.34 39.17 3huz n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3huz n LYS 21 N -0.08 0.89 0.00 -0.72 3.00 -1.20 -2.60 118.16 117.44 3huz n LYS 21 Ca 0.28 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 3huz n LYS 21 Cb 0.91 -2.89 0.00 0.00 0.00 0.00 0.00 35.03 33.05 3huz n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3huz n GLY 22 N 6.17 3.36 3.41 3.14 0.00 0.30 -4.99 105.19 116.58 3huz n GLY 22 Ca 0.43 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 3huz n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3huz n ARG 23 N 0.00 0.42 -5.11 1.61 0.63 -1.07 -4.44 116.66 108.70 3huz n ARG 23 Ca 0.00 0.16 -0.30 0.00 -0.92 0.00 0.00 57.85 56.78 3huz n ARG 23 Cb 0.00 -1.44 -0.15 0.00 0.45 0.00 0.00 32.46 31.31 3huz n ARG 23 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3huz s VAL 24 N -1.65 2.04 0.23 5.15 1.01 -1.26 -3.79 120.40 122.13 3huz s VAL 24 Ca 0.64 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3huz s VAL 24 Cb -0.54 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3huz s VAL 24 CO 0.59 0.48 0.55 -0.83 0.00 0.00 0.00 175.10 175.89 3huz s GLY 25 N -0.86 0.13 0.00 4.51 0.00 -1.23 -4.99 107.32 104.87 3huz s GLY 25 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.35 3huz s GLY 25 CO 0.00 -0.35 0.00 1.17 0.00 0.00 0.00 173.10 173.92 3huz n LYS 26 N -0.38 1.31 -1.49 2.90 4.81 -1.26 -1.74 118.16 122.31 3huz n LYS 26 Ca -0.06 0.00 -0.56 0.00 -0.87 0.00 0.00 58.31 56.82 3huz n LYS 26 Cb 0.61 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.60 3huz n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3huz n VAL 27 N 0.00 0.39 0.00 3.15 0.31 -1.25 -4.23 118.33 116.71 3huz n VAL 27 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3huz n VAL 27 Cb 0.00 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3huz n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3huz n LYS 28 N 1.50 0.63 -2.75 5.55 0.00 -1.26 -2.67 118.16 119.16 3huz n LYS 28 Ca 0.19 -0.91 0.00 0.00 -0.00 0.00 0.00 58.31 57.59 3huz n LYS 28 Cb 0.13 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 3huz n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3huz n GLU 29 N -0.20 -0.34 -0.66 -1.58 4.71 -1.26 -1.46 120.64 119.84 3huz n GLU 29 Ca 0.00 0.70 -0.31 0.00 -0.01 0.00 0.00 57.16 57.54 3huz n GLU 29 Cb 0.10 -0.80 0.18 0.00 -1.01 0.00 0.00 31.44 29.91 3huz n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3huz n VAL 30 N 1.33 0.00 0.00 2.62 0.31 -1.26 -4.64 118.33 116.69 3huz n VAL 30 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3huz n VAL 30 Cb 0.36 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 3huz n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3huz n LEU 31 N -3.28 1.35 -0.54 7.52 7.99 -1.25 -4.99 117.00 123.80 3huz n LEU 31 Ca 0.07 0.18 0.09 0.00 -0.01 0.00 0.00 56.01 56.35 3huz n LEU 31 Cb 0.54 -0.23 0.03 0.00 -0.11 0.00 0.00 43.42 43.65 3huz n LEU 31 CO 0.52 -0.23 0.38 -0.81 -1.51 0.00 0.00 177.39 175.74 3huz n PRO 32 N -1.31 1.59 -0.32 3.23 -0.04 -1.26 -4.86 135.00 132.02 3huz n PRO 32 Ca 0.00 -1.15 0.18 0.00 -0.04 0.00 0.00 63.50 62.49 3huz n PRO 32 Cb 0.00 -1.35 0.36 0.00 -0.04 0.00 0.00 33.50 32.48 3huz n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3huz h LYS 33 N 2.65 0.09 0.05 0.54 6.56 -1.98 1.54 116.57 126.02 3huz h LYS 33 Ca 0.00 -0.01 -0.21 0.00 -1.06 0.00 0.00 60.65 59.37 3huz h LYS 33 Cb 0.68 -0.02 0.02 0.00 -0.57 0.00 0.00 32.23 32.34 3huz h LYS 33 CO 0.00 0.06 -0.85 -0.22 -2.06 0.00 0.00 179.45 176.38 3huz h LYS 34 N 0.10 0.49 -2.14 3.15 3.64 -1.99 -3.49 116.57 116.32 3huz h LYS 34 Ca 0.64 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3huz h LYS 34 Cb 1.43 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 3huz h LYS 34 CO -0.78 1.23 0.00 0.98 -2.27 0.00 0.00 179.45 178.61 3huz n TYR 35 N -4.05 0.00 -2.09 1.91 9.36 0.53 -5.04 117.16 117.77 3huz n TYR 35 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 3huz n TYR 35 Cb 0.80 -1.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.23 3huz n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3huz n ALA 36 N -0.82 0.00 -3.00 2.98 0.00 -1.26 -2.67 120.51 115.74 3huz n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3huz n ALA 36 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3huz n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3huz n VAL 37 N 0.00 0.00 0.02 0.00 0.24 0.18 -3.95 118.33 114.82 3huz n VAL 37 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3huz n VAL 37 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3huz n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3huz n ILE 38 N 0.00 0.00 0.00 1.34 2.08 -0.54 -3.93 119.36 118.31 3huz n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3huz n ILE 38 Cb 0.00 -0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3huz n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3huz n VAL 39 N -2.58 0.00 -1.82 1.39 0.31 -1.09 -1.94 118.33 112.60 3huz n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3huz n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3huz n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3huz n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.62 120.64 119.72 3huz n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3huz n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3huz n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3huz n GLY 41 N 0.00 0.00 3.90 0.62 0.00 -0.82 -4.77 105.19 104.13 3huz n GLY 41 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3huz n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huz s VAL 42 N 0.00 2.42 0.00 1.61 1.01 -1.26 -4.96 120.40 119.23 3huz s VAL 42 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3huz s VAL 42 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3huz s VAL 42 CO 0.00 -0.15 0.00 0.59 0.00 0.00 0.00 175.10 175.54 3huz n ASN 43 N -3.16 0.00 -1.19 3.32 4.13 -1.26 -2.36 115.26 114.74 3huz n ASN 43 Ca 0.08 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.47 3huz n ASN 43 Cb 0.60 0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.84 3huz n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3huz n ILE 44 N -1.91 -0.07 -4.28 2.41 5.41 -1.26 -3.99 119.36 115.66 3huz n ILE 44 Ca 0.00 0.39 -0.22 0.00 1.00 0.00 0.00 62.75 63.92 3huz n ILE 44 Cb 0.00 -0.74 -0.12 0.00 -0.71 0.00 0.00 39.64 38.07 3huz n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3huz s VAL 45 N -3.35 1.63 0.00 1.39 1.01 -1.26 -4.50 120.40 115.32 3huz s VAL 45 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.31 3huz s VAL 45 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3huz s VAL 45 CO 0.00 -0.21 0.00 0.29 0.00 0.00 0.00 175.10 175.18 3huz n LYS 46 N 0.76 0.00 0.00 2.72 5.02 -1.26 -5.08 118.16 120.32 3huz n LYS 46 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 3huz n LYS 46 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 3huz n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3huz n LYS 47 N 0.00 0.00 -1.51 1.97 -0.00 -1.26 -5.07 118.16 112.29 3huz n LYS 47 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 3huz n LYS 47 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 35.03 34.85 3huz n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3huz n ALA 48 N 0.00 0.85 0.82 0.58 0.00 -1.26 -4.65 120.51 116.85 3huz n ALA 48 Ca 0.00 -0.84 0.10 0.00 0.00 0.00 0.00 53.44 52.70 3huz n ALA 48 Cb 0.00 -2.57 0.07 0.00 0.00 0.00 0.00 19.45 16.95 3huz n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3huz n VAL 49 N 6.50 0.00 0.00 0.00 0.31 -1.26 -1.67 118.33 122.21 3huz n VAL 49 Ca 0.63 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3huz n VAL 49 Cb 0.19 1.38 0.00 0.00 -0.91 0.00 0.00 33.84 34.50 3huz n VAL 49 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3huz n ARG 50 N 0.93 0.00 0.00 5.55 0.63 -1.26 -4.25 116.66 118.25 3huz n ARG 50 Ca 0.11 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.17 3huz n ARG 50 Cb 0.47 0.00 0.41 0.00 0.45 0.00 0.00 32.46 33.80 3huz n ARG 50 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3huz n VAL 51 N 0.20 0.00 0.00 5.15 0.31 -1.26 -4.69 118.33 118.04 3huz n VAL 51 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3huz n VAL 51 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3huz n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3huz n SER 52 N -1.36 0.00 -1.92 4.52 3.41 -1.26 -5.09 113.62 111.92 3huz n SER 52 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3huz n SER 52 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3huz n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3huz n PRO 53 N 0.00 0.00 -3.62 4.33 -0.02 -1.26 -4.91 135.00 129.52 3huz n PRO 53 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 3huz n PRO 53 Cb 0.00 -0.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.93 3huz n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3huz s LYS 54 N 2.33 3.96 0.06 -0.52 2.20 -1.26 -4.67 119.74 121.84 3huz s LYS 54 Ca 0.00 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 3huz s LYS 54 Cb 0.00 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 3huz s LYS 54 CO 0.00 0.49 0.00 2.48 -0.36 0.00 0.00 175.35 177.96 3huz n TYR 55 N 2.73 -2.58 0.00 4.03 0.18 -1.26 -4.75 117.16 115.51 3huz n TYR 55 Ca -0.15 1.55 0.00 0.00 1.88 0.00 0.00 57.90 61.18 3huz n TYR 55 Cb 0.53 -2.32 0.00 0.00 -0.38 0.00 0.00 39.34 37.17 3huz n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 3huz n PRO 56 N 1.84 0.00 0.00 -3.48 -0.02 -1.26 -4.68 135.00 127.40 3huz n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3huz n PRO 56 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3huz n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3huz n GLN 57 N 0.00 3.67 0.00 -0.52 6.02 -1.26 -4.67 117.38 120.62 3huz n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3huz n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3huz n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3huz n GLY 58 N 5.00 0.00 0.00 1.08 0.00 -0.83 -4.62 105.19 105.82 3huz n GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huz n GLY 59 N 0.51 -2.03 0.29 -0.02 0.00 -0.67 -4.84 105.19 98.43 3huz n GLY 59 Ca 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 46.02 45.01 3huz n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3huz n PHE 60 N 0.21 0.11 0.00 1.61 3.01 -1.26 -4.00 117.46 117.14 3huz n PHE 60 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3huz n PHE 60 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3huz n PHE 60 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3huz n ILE 61 N -0.21 0.00 -4.10 4.37 2.08 -1.26 -4.35 119.36 115.89 3huz n ILE 61 Ca 0.15 1.45 0.00 0.00 0.56 0.00 0.00 62.75 64.91 3huz n ILE 61 Cb 0.20 -2.28 0.00 0.00 -0.75 0.00 0.00 39.64 36.81 3huz n ILE 61 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3huz n GLU 62 N -2.15 0.00 -3.53 0.38 4.71 -1.26 -4.72 120.64 114.07 3huz n GLU 62 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 3huz n GLU 62 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 3huz n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3huz n LYS 63 N -0.04 0.55 -2.10 3.49 5.02 -1.26 -5.08 118.16 118.75 3huz n LYS 63 Ca 0.00 -2.28 -0.41 0.00 -2.02 0.00 0.00 58.31 53.60 3huz n LYS 63 Cb 0.00 2.17 -0.02 0.00 -0.02 0.00 0.00 35.03 37.16 3huz n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3huz s GLU 64 N -2.67 4.34 -0.03 1.97 8.01 -1.24 -4.25 118.70 124.82 3huz s GLU 64 Ca 0.24 2.23 -0.30 0.00 0.01 0.00 0.00 54.97 57.15 3huz s GLU 64 Cb -0.01 -3.08 -0.03 0.00 -4.31 0.00 0.00 34.13 26.70 3huz s GLU 64 CO 0.17 -0.24 1.10 0.00 0.01 0.00 0.00 175.26 176.31 3huz s ALA 65 N -0.87 3.37 0.18 5.21 0.00 -0.99 -4.88 121.76 123.78 3huz s ALA 65 Ca 0.51 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 3huz s ALA 65 Cb -0.40 -3.44 0.17 0.00 0.00 0.00 0.00 23.12 19.45 3huz s ALA 65 CO 0.51 -0.53 1.27 -2.30 0.00 0.00 0.00 175.76 174.71 3huz n PRO 66 N 4.57 -0.21 -1.98 0.00 -0.02 -1.25 -4.40 135.00 131.71 3huz n PRO 66 Ca 0.09 1.25 0.00 0.00 -2.02 0.00 0.00 63.50 62.82 3huz n PRO 66 Cb 0.48 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3huz n PRO 66 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3huz n LEU 67 N -5.18 -4.87 -4.14 2.45 -0.00 -1.26 -0.12 117.00 103.87 3huz n LEU 67 Ca 0.08 2.88 -0.50 0.00 -0.00 0.00 0.00 56.01 58.46 3huz n LEU 67 Cb 0.32 -2.86 -0.05 0.00 -0.00 0.00 0.00 43.42 40.82 3huz n LEU 67 CO -0.11 -1.45 0.29 1.57 -0.00 0.00 0.00 177.39 177.69 3huz n HIS 68 N 1.77 0.12 0.33 1.47 -0.00 -1.26 0.51 115.22 118.16 3huz n HIS 68 Ca 0.00 0.95 0.21 0.00 -0.00 0.00 0.00 57.72 58.88 3huz n HIS 68 Cb 0.00 -1.89 1.11 0.00 -0.00 0.00 0.00 29.99 29.22 3huz n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3huz h ALA 69 N 1.95 1.06 0.00 1.57 0.00 -1.73 -1.72 119.26 120.39 3huz h ALA 69 Ca -0.38 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3huz h ALA 69 Cb 1.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3huz h ALA 69 CO 0.57 0.01 -0.13 1.03 0.00 0.00 0.00 179.25 180.73 3huz h SER 70 N 0.00 0.00 0.81 0.00 0.87 -1.89 -2.77 113.55 110.57 3huz h SER 70 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3huz h SER 70 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3huz h SER 70 CO 0.00 0.13 -0.06 0.29 -0.53 0.00 0.00 176.83 176.66 3huz n LYS 71 N -3.36 0.15 -4.22 2.24 5.02 -0.65 -4.83 118.16 112.51 3huz n LYS 71 Ca -0.00 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 3huz n LYS 71 Cb 0.33 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 3huz n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3huz s VAL 72 N -2.86 4.11 -0.03 -0.18 -7.23 -1.05 -1.79 120.40 111.36 3huz s VAL 72 Ca 0.18 -0.76 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 3huz s VAL 72 Cb 0.19 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.25 3huz s VAL 72 CO 0.53 0.27 -0.11 -0.13 -0.31 0.00 0.00 175.10 175.35 3huz s ARG 73 N -1.87 1.16 1.34 4.82 0.52 -0.91 -4.93 118.95 119.08 3huz s ARG 73 Ca 0.22 -0.37 -0.19 0.00 -0.52 0.00 0.00 55.73 54.88 3huz s ARG 73 Cb -0.12 -1.05 0.35 0.00 0.52 0.00 0.00 34.95 34.65 3huz s ARG 73 CO 0.14 0.13 0.95 -1.25 0.02 0.00 0.00 175.30 175.29 3huz s PRO 74 N 0.21 -2.33 -0.07 3.54 0.04 -1.26 0.34 135.00 135.46 3huz s PRO 74 Ca -0.04 0.44 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 3huz s PRO 74 Cb -0.10 -1.42 0.06 0.00 0.04 0.00 0.00 34.50 33.08 3huz s PRO 74 CO 0.01 -4.55 0.63 0.42 0.04 0.00 0.00 177.00 173.55 3huz s ILE 75 N -2.28 0.01 -0.27 0.56 1.01 -1.20 -2.18 121.20 116.84 3huz s ILE 75 Ca 0.69 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 3huz s ILE 75 Cb -0.19 -0.94 0.18 0.00 0.01 0.00 0.00 42.46 41.53 3huz s ILE 75 CO 0.61 -0.03 1.33 0.00 0.00 0.00 0.00 174.94 176.85 3huz n PRO 77 N 0.49 0.00 0.00 0.00 -0.02 -1.26 -3.38 135.00 130.83 3huz n PRO 77 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3huz n PRO 77 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3huz n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3huz n ALA 78 N -0.00 0.00 0.00 3.55 0.00 -1.26 -4.85 120.51 117.95 3huz n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3huz n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3huz n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huz n GLY 80 N 0.00 0.83 1.64 0.00 0.00 -0.93 -5.00 105.19 101.74 3huz n GLY 80 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3huz n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3huz n LYS 81 N 0.00 -4.58 0.00 1.61 5.02 -1.26 -4.47 118.16 114.48 3huz n LYS 81 Ca 0.00 3.46 0.00 0.00 -2.02 0.00 0.00 58.31 59.75 3huz n LYS 81 Cb 0.00 -4.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.97 3huz n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3huz n PRO 82 N -1.50 1.41 -3.72 1.97 -0.02 -1.26 -4.60 135.00 127.27 3huz n PRO 82 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3huz n PRO 82 Cb 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.64 3huz n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3huz s THR 83 N 0.00 0.00 0.02 3.45 -4.23 -1.26 -4.67 115.64 108.94 3huz s THR 83 Ca 0.00 -0.64 -0.00 0.00 -1.18 0.00 0.00 61.69 59.87 3huz s THR 83 Cb 0.00 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 72.10 3huz s THR 83 CO 0.00 0.00 0.02 0.54 -0.54 0.00 0.00 174.62 174.64 3huz n ARG 84 N -0.43 0.03 -4.04 3.99 1.74 -0.57 -4.91 116.66 112.47 3huz n ARG 84 Ca -0.07 -0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 56.76 3huz n ARG 84 Cb 0.61 0.12 -0.13 0.00 -1.02 0.00 0.00 32.46 32.04 3huz n ARG 84 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3huz s VAL 85 N -2.49 0.33 0.04 1.55 -7.23 -1.26 -2.12 120.40 109.21 3huz s VAL 85 Ca 0.01 -0.64 0.06 0.00 -1.81 0.00 0.00 61.98 59.60 3huz s VAL 85 Cb -0.00 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 3huz s VAL 85 CO 0.01 -0.21 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.85 3huz s ARG 86 N -0.92 2.22 0.25 4.82 3.52 0.12 -4.94 118.95 124.03 3huz s ARG 86 Ca -0.07 -0.91 -0.02 0.00 -0.13 0.00 0.00 55.73 54.60 3huz s ARG 86 Cb -0.06 -2.30 0.31 0.00 -1.56 0.00 0.00 34.95 31.33 3huz s ARG 86 CO -0.00 0.55 1.72 1.57 -0.81 0.00 0.00 175.30 178.33 3huz h LYS 87 N 4.35 0.74 0.00 5.12 2.10 -1.87 -3.07 116.57 123.94 3huz h LYS 87 Ca -0.48 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 57.93 3huz h LYS 87 Cb 1.16 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3huz h LYS 87 CO 0.50 0.82 0.00 1.63 -2.00 0.00 0.00 179.45 180.40 3huz n LYS 88 N -4.18 0.00 -1.28 0.07 4.01 -1.25 -1.74 118.16 113.80 3huz n LYS 88 Ca 0.01 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.77 3huz n LYS 88 Cb 0.35 -2.76 -0.02 0.00 -0.51 0.00 0.00 35.03 32.09 3huz n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3huz n PHE 89 N -1.73 -0.03 -0.20 2.13 7.35 -1.26 -4.69 117.46 119.02 3huz n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3huz n PHE 89 Cb 0.00 -1.21 0.00 0.00 0.35 0.00 0.00 39.48 38.62 3huz n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 3huz n LEU 90 N -0.53 0.00 0.00 -2.13 -0.00 -0.98 -5.18 117.00 108.18 3huz n LEU 90 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 3huz n LEU 90 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 3huz n LEU 90 CO 0.07 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.84 3huz n GLU 91 N 0.00 0.00 -5.24 1.47 1.02 -0.71 -5.17 120.64 112.01 3huz n GLU 91 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3huz n GLU 91 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 3huz n GLU 91 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3huz s ASN 92 N 2.00 3.06 -0.25 1.62 2.47 -1.26 -3.93 114.94 118.65 3huz s ASN 92 Ca 0.00 -0.53 -0.20 0.00 0.42 0.00 0.00 52.86 52.55 3huz s ASN 92 Cb 0.00 -1.08 0.07 0.00 -1.45 0.00 0.00 41.25 38.79 3huz s ASN 92 CO 0.00 0.21 0.64 -0.83 -3.72 0.00 0.00 177.10 173.40 3huz s GLY 93 N 0.06 -0.51 1.02 1.21 0.00 -1.16 -4.97 107.32 102.96 3huz s GLY 93 Ca -0.10 1.96 -0.16 0.00 0.00 0.00 0.00 44.72 46.41 3huz s GLY 93 CO 0.06 1.80 1.24 -1.59 0.00 0.00 0.00 173.10 174.60 3huz s LYS 94 N 0.75 0.18 0.00 2.90 -2.85 -1.26 0.13 119.74 119.59 3huz s LYS 94 Ca -0.03 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 3huz s LYS 94 Cb -0.05 -1.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 3huz s LYS 94 CO -0.05 -2.75 0.00 1.17 0.10 0.00 0.00 175.35 173.82 3huz n LYS 95 N -4.05 0.00 -1.95 1.78 4.81 -0.90 -1.92 118.16 115.93 3huz n LYS 95 Ca 0.13 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.28 3huz n LYS 95 Cb 0.59 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.85 3huz n LYS 95 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3huz s ILE 96 N 0.00 2.00 -0.54 3.15 -4.36 -1.26 -1.52 121.20 118.67 3huz s ILE 96 Ca 0.00 -0.01 -0.27 0.00 -0.26 0.00 0.00 60.65 60.11 3huz s ILE 96 Cb 0.00 -2.99 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 3huz s ILE 96 CO 0.00 0.00 2.02 -0.60 0.24 0.00 0.00 174.94 176.60 3huz s ARG 97 N -5.96 2.56 -0.39 0.37 6.06 -1.26 -3.29 118.95 117.04 3huz s ARG 97 Ca 0.77 0.95 -0.00 0.00 -2.50 0.00 0.00 55.73 54.94 3huz s ARG 97 Cb -0.02 -4.42 -0.00 0.00 0.06 0.00 0.00 34.95 30.56 3huz s ARG 97 CO 0.54 -2.79 0.36 0.28 -2.50 0.00 0.00 175.30 171.19 3huz n VAL 98 N 7.46 -5.62 0.00 7.11 0.31 -1.26 -5.03 118.33 121.31 3huz n VAL 98 Ca 0.25 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3huz n VAL 98 Cb 0.52 -5.21 0.00 0.00 -0.91 0.00 0.00 33.84 28.24 3huz n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huz n ALA 100 N 0.00 0.00 -0.69 0.00 0.00 -1.26 -4.55 120.51 114.02 3huz n ALA 100 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3huz n ALA 100 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3huz n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3huz n LYS 101 N -0.10 -1.50 0.00 0.00 4.81 -0.81 -4.73 118.16 115.83 3huz n LYS 101 Ca 0.00 1.14 0.00 0.00 -0.87 0.00 0.00 58.31 58.58 3huz n LYS 101 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.26 3huz n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57