#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n VAL 3 N 0.00 0.00 0.29 5.15 0.31 -1.26 -4.49 118.33 118.33 3kno n VAL 3 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 3kno n VAL 3 Cb 0.00 0.00 0.97 0.00 -0.91 0.00 0.00 33.84 33.90 3kno n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3kno h LYS 4 N 0.00 0.00 0.00 5.55 2.10 -2.04 -3.46 116.57 118.73 3kno h LYS 4 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kno h LYS 4 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kno h LYS 4 CO 0.00 0.00 0.00 -1.33 -2.00 0.00 0.00 179.45 176.12 3kno n MET 5 N -3.61 0.00 -3.72 0.07 2.81 -1.26 -5.01 117.12 106.39 3kno n MET 5 Ca -0.02 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.84 3kno n MET 5 Cb 0.14 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.64 3kno n MET 5 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 3kno s HIS 6 N 0.00 -0.11 0.05 2.03 -3.43 -1.26 -5.13 115.29 107.44 3kno s HIS 6 Ca 0.00 -0.15 -0.10 0.00 -0.80 0.00 0.00 55.06 54.01 3kno s HIS 6 Cb 0.00 0.62 -0.02 0.00 -1.43 0.00 0.00 32.58 31.74 3kno s HIS 6 CO 0.00 -0.70 1.18 -0.39 -2.00 0.00 0.00 174.74 172.82 3kno h VAL 7 N 2.00 0.00 -0.20 -5.38 -1.51 -1.95 -3.47 116.25 105.74 3kno h VAL 7 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3kno h VAL 7 Cb 1.22 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3kno h VAL 7 CO 0.26 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.89 3kno n LYS 8 N -3.73 2.33 0.00 5.19 4.01 -1.26 -4.99 118.16 119.71 3kno n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3kno n LYS 8 Cb 0.09 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.61 3kno n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3kno n LYS 9 N 0.00 0.00 -2.95 1.97 2.85 -1.26 -5.01 118.16 113.75 3kno n LYS 9 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 3kno n LYS 9 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 3kno n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kno n GLY 10 N 0.00 5.54 0.00 2.58 0.00 -1.26 -4.32 105.19 107.73 3kno n GLY 10 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.32 3kno n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kno n ASP 11 N 0.35 0.00 -3.67 1.61 5.68 -1.26 -4.77 116.55 114.49 3kno n ASP 11 Ca 0.35 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.54 3kno n ASP 11 Cb 0.34 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.21 3kno n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kno s THR 12 N 2.99 -0.42 0.14 2.12 2.01 -1.26 -1.05 115.64 120.17 3kno s THR 12 Ca 0.00 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.18 3kno s THR 12 Cb 0.00 -0.59 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 3kno s THR 12 CO 0.00 0.07 0.03 1.33 -0.69 0.00 0.00 174.62 175.37 3kno n VAL 13 N 5.06 0.00 -4.53 3.82 0.24 -0.59 -2.89 118.33 119.43 3kno n VAL 13 Ca -0.12 -0.76 -0.25 0.00 -2.04 0.00 0.00 64.34 61.17 3kno n VAL 13 Cb 0.51 0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 33.02 3kno n VAL 13 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kno s LEU 14 N 0.00 2.58 -0.14 1.34 2.96 -0.48 -2.69 118.68 122.24 3kno s LEU 14 Ca 0.05 -1.34 0.02 0.00 -0.22 0.00 0.00 54.13 52.64 3kno s LEU 14 Cb 0.00 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 46.01 3kno s LEU 14 CO 0.03 -0.48 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.68 3kno s VAL 15 N -2.95 2.15 -0.55 1.68 1.01 -0.97 -2.64 120.40 118.13 3kno s VAL 15 Ca 0.35 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3kno s VAL 15 Cb 0.08 -1.86 0.21 0.00 0.00 0.00 0.00 36.38 34.81 3kno s VAL 15 CO 0.16 0.54 0.54 0.00 0.00 0.00 0.00 175.10 176.35 3kno n ALA 16 N 4.06 3.27 -1.68 5.51 0.00 -0.18 0.35 120.51 131.83 3kno n ALA 16 Ca -0.20 -4.04 0.00 0.00 0.00 0.00 0.00 53.44 49.20 3kno n ALA 16 Cb 0.52 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3kno n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kno n SER 17 N 1.68 0.00 0.00 0.00 3.41 -1.26 -4.72 113.62 112.73 3kno n SER 17 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3kno n SER 17 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3kno n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kno n GLY 18 N 1.62 2.91 0.00 5.00 0.00 -1.26 -4.80 105.19 108.67 3kno n GLY 18 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3kno n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kno n LYS 19 N 0.00 0.00 -1.19 1.61 4.81 -1.26 0.16 118.16 122.29 3kno n LYS 19 Ca 0.00 0.15 0.04 0.00 -0.87 0.00 0.00 58.31 57.64 3kno n LYS 19 Cb 0.00 -1.83 0.09 0.00 0.02 0.00 0.00 35.03 33.31 3kno n LYS 19 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3kno n TYR 20 N -1.14 0.05 -2.26 5.64 4.02 -1.26 -5.00 117.16 117.20 3kno n TYR 20 Ca 0.00 -0.92 -0.42 0.00 -0.01 0.00 0.00 57.90 56.55 3kno n TYR 20 Cb 0.33 -0.19 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 3kno n TYR 20 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3kno s LYS 21 N -1.32 4.24 0.00 -0.72 2.47 0.41 -3.70 119.74 121.12 3kno s LYS 21 Ca 0.36 1.88 0.00 0.00 -1.56 0.00 0.00 55.97 56.65 3kno s LYS 21 Cb 0.38 -3.76 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 3kno s LYS 21 CO -0.13 -0.69 0.00 0.41 0.16 0.00 0.00 175.35 175.10 3kno n GLY 22 N 3.74 3.05 3.08 5.54 0.00 0.16 -4.96 105.19 115.80 3kno n GLY 22 Ca 0.14 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 3kno n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno n ARG 23 N 0.00 -0.22 -4.10 1.61 1.74 -1.24 -4.37 116.66 110.07 3kno n ARG 23 Ca 0.00 -0.06 -0.08 0.00 -0.77 0.00 0.00 57.85 56.94 3kno n ARG 23 Cb 0.00 -1.18 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 3kno n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kno s VAL 24 N -2.07 0.17 0.05 1.55 1.01 -1.26 -2.29 120.40 117.55 3kno s VAL 24 Ca 0.42 -1.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 3kno s VAL 24 Cb -0.07 -1.73 0.10 0.00 0.00 0.00 0.00 36.38 34.68 3kno s VAL 24 CO 0.73 -0.76 1.19 -0.83 0.00 0.00 0.00 175.10 175.44 3kno s GLY 25 N -2.97 -0.18 0.00 4.51 0.00 -1.10 -4.88 107.32 102.71 3kno s GLY 25 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 44.72 45.03 3kno s GLY 25 CO -0.05 2.43 0.00 1.17 0.00 0.00 0.00 173.10 176.65 3kno n LYS 26 N -0.67 1.97 -0.83 2.90 4.81 -1.26 -1.54 118.16 123.54 3kno n LYS 26 Ca -0.03 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.10 3kno n LYS 26 Cb 0.60 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.68 3kno n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3kno n VAL 27 N -0.14 0.00 -1.22 3.15 0.31 -0.21 -4.49 118.33 115.72 3kno n VAL 27 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3kno n VAL 27 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kno n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3kno n LYS 28 N 2.08 0.00 -3.20 5.55 0.00 -1.26 -3.46 118.16 117.87 3kno n LYS 28 Ca -0.02 -0.16 -0.05 0.00 -0.00 0.00 0.00 58.31 58.09 3kno n LYS 28 Cb 0.53 -0.39 0.00 0.00 -0.00 0.00 0.00 35.03 35.18 3kno n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3kno n GLU 29 N 0.00 -1.37 -1.16 -1.58 4.71 -1.26 -3.44 120.64 116.55 3kno n GLU 29 Ca 0.00 1.36 -0.36 0.00 -0.01 0.00 0.00 57.16 58.15 3kno n GLU 29 Cb 0.35 -5.14 0.06 0.00 -1.01 0.00 0.00 31.44 25.71 3kno n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kno n VAL 30 N -1.95 1.04 0.00 2.62 0.31 -1.26 -4.80 118.33 114.30 3kno n VAL 30 Ca -0.06 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 3kno n VAL 30 Cb 0.54 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3kno n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kno n LEU 31 N 0.45 1.00 -0.24 7.52 7.99 -1.22 -5.00 117.00 127.50 3kno n LEU 31 Ca 0.08 0.33 0.02 0.00 -0.01 0.00 0.00 56.01 56.43 3kno n LEU 31 Cb 0.51 -0.33 0.05 0.00 -0.11 0.00 0.00 43.42 43.54 3kno n LEU 31 CO 0.51 -0.33 0.48 -0.81 -1.51 0.00 0.00 177.39 175.73 3kno n PRO 32 N -1.50 1.94 0.24 3.23 -0.04 -1.26 -4.95 135.00 132.66 3kno n PRO 32 Ca 0.00 -1.44 0.07 0.00 -0.04 0.00 0.00 63.50 62.09 3kno n PRO 32 Cb 0.00 -1.10 0.37 0.00 -0.04 0.00 0.00 33.50 32.73 3kno n PRO 32 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3kno h LYS 33 N 0.85 0.00 0.00 0.54 2.10 -1.96 2.89 116.57 120.99 3kno h LYS 33 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kno h LYS 33 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3kno h LYS 33 CO 0.00 0.00 -1.72 1.17 -2.00 0.00 0.00 179.45 176.90 3kno n LYS 34 N -2.32 0.62 -1.80 0.07 4.81 -1.26 -5.04 118.16 113.24 3kno n LYS 34 Ca -0.01 -0.15 -0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3kno n LYS 34 Cb 0.53 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.15 3kno n LYS 34 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3kno n TYR 35 N -2.05 -0.59 -2.92 5.64 9.36 0.97 -4.94 117.16 122.62 3kno n TYR 35 Ca -0.03 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.42 3kno n TYR 35 Cb 0.45 -2.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.15 3kno n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kno n ALA 36 N -1.11 0.00 -1.13 2.98 0.00 -1.26 -1.60 120.51 118.39 3kno n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 36 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3kno n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kno n VAL 37 N 0.00 0.00 0.00 0.00 0.24 -1.14 -3.37 118.33 114.06 3kno n VAL 37 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kno n VAL 37 Cb 0.00 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3kno n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kno n ILE 38 N -0.49 0.00 0.00 1.34 2.08 -1.08 -4.03 119.36 117.18 3kno n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3kno n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3kno n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3kno n VAL 39 N 0.00 0.00 -1.53 1.39 0.31 -1.23 -3.33 118.33 113.95 3kno n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kno n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kno n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kno n GLU 40 N 5.88 0.12 0.00 5.55 -0.58 -1.26 -4.83 120.64 125.51 3kno n GLU 40 Ca 0.00 -0.87 0.00 0.00 -0.42 0.00 0.00 57.16 55.87 3kno n GLU 40 Cb 0.00 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 3kno n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kno n GLY 41 N -0.06 -3.22 3.14 0.62 0.00 -1.21 -4.94 105.19 99.52 3kno n GLY 41 Ca 0.01 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 3kno n GLY 41 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kno n VAL 42 N 0.00 0.00 0.15 1.61 0.24 -1.26 -4.75 118.33 114.33 3kno n VAL 42 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3kno n VAL 42 Cb 0.00 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 3kno n VAL 42 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kno n ASN 43 N 1.26 -1.81 -1.48 -1.34 4.13 -1.26 -2.05 115.26 112.70 3kno n ASN 43 Ca -0.00 0.57 0.02 0.00 1.68 0.00 0.00 54.58 56.85 3kno n ASN 43 Cb 0.65 1.83 -0.01 0.00 -1.54 0.00 0.00 39.78 40.71 3kno n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3kno n ILE 44 N -3.27 -2.54 0.00 2.41 5.41 -1.26 -4.67 119.36 115.43 3kno n ILE 44 Ca 0.00 1.33 0.00 0.00 1.00 0.00 0.00 62.75 65.08 3kno n ILE 44 Cb 0.00 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 36.74 3kno n ILE 44 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3kno n VAL 45 N -2.76 0.00 0.00 1.39 0.31 -1.26 -4.79 118.33 111.22 3kno n VAL 45 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3kno n VAL 45 Cb 0.48 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 3kno n VAL 45 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3kno n LYS 46 N 0.00 0.00 -0.01 5.55 4.81 -1.26 -4.60 118.16 122.65 3kno n LYS 46 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 3kno n LYS 46 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 3kno n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3kno n LYS 47 N -0.50 0.07 -2.07 1.64 4.01 -1.26 -5.03 118.16 115.01 3kno n LYS 47 Ca 0.00 0.03 -0.02 0.00 -0.51 0.00 0.00 58.31 57.80 3kno n LYS 47 Cb 0.00 -0.59 -0.02 0.00 -0.51 0.00 0.00 35.03 33.91 3kno n LYS 47 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kno n ALA 48 N -2.77 -3.35 0.00 7.82 0.00 -1.26 -4.96 120.51 115.99 3kno n ALA 48 Ca -0.02 1.04 0.00 0.00 0.00 0.00 0.00 53.44 54.46 3kno n ALA 48 Cb 0.07 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3kno n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kno n VAL 49 N 0.76 0.00 -0.87 0.00 0.31 -1.26 -4.81 118.33 112.45 3kno n VAL 49 Ca -0.17 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.26 3kno n VAL 49 Cb 0.26 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.14 3kno n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kno n ARG 50 N -0.38 -2.03 0.01 5.55 1.74 -1.26 -4.46 116.66 115.83 3kno n ARG 50 Ca 0.00 1.66 0.12 0.00 -0.77 0.00 0.00 57.85 58.86 3kno n ARG 50 Cb 0.00 -2.37 0.24 0.00 -1.02 0.00 0.00 32.46 29.31 3kno n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kno n VAL 51 N -3.42 0.04 0.00 1.55 0.31 -1.26 -4.61 118.33 110.94 3kno n VAL 51 Ca -0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3kno n VAL 51 Cb 0.42 0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 3kno n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kno n SER 52 N -1.58 0.00 -4.00 4.52 3.41 -1.26 -5.09 113.62 109.62 3kno n SER 52 Ca 0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3kno n SER 52 Cb 0.35 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3kno n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kno n PRO 53 N 0.00 0.00 -2.04 4.33 -0.02 -1.26 -4.85 135.00 131.16 3kno n PRO 53 Ca 0.00 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 3kno n PRO 53 Cb 0.00 -1.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 3kno n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kno s LYS 54 N 4.28 4.26 0.50 -0.52 2.20 -1.26 -4.61 119.74 124.59 3kno s LYS 54 Ca 0.01 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 3kno s LYS 54 Cb 0.00 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3kno s LYS 54 CO 0.00 -0.54 0.00 2.48 -0.36 0.00 0.00 175.35 176.93 3kno n TYR 55 N 4.14 -3.29 0.00 4.03 0.18 -1.26 -4.83 117.16 116.12 3kno n TYR 55 Ca 0.13 1.81 0.00 0.00 1.88 0.00 0.00 57.90 61.72 3kno n TYR 55 Cb 0.40 -2.90 0.00 0.00 -0.38 0.00 0.00 39.34 36.47 3kno n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 3kno n PRO 56 N -3.47 0.00 0.00 -3.48 -0.02 -1.26 -4.84 135.00 121.93 3kno n PRO 56 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3kno n PRO 56 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 3kno n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kno n GLN 57 N 0.00 0.00 0.00 -0.52 6.02 -1.26 -4.86 117.38 116.76 3kno n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kno n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3kno n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kno n GLY 58 N 4.81 0.00 0.00 1.08 0.00 -1.26 -4.83 105.19 104.99 3kno n GLY 58 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kno n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 59 N -0.12 -0.18 0.12 -0.02 0.00 -1.26 -4.93 105.19 98.80 3kno n GLY 59 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3kno n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kno n PHE 60 N -0.07 0.00 -0.09 1.61 3.01 -1.26 -4.50 117.46 116.15 3kno n PHE 60 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 3kno n PHE 60 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.39 3kno n PHE 60 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3kno h ILE 61 N 0.00 0.00 0.00 4.37 1.08 -1.90 -3.38 117.51 117.68 3kno h ILE 61 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3kno h ILE 61 Cb 0.91 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3kno h ILE 61 CO 0.00 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.84 3kno n GLU 62 N -5.03 0.00 -1.77 2.37 4.71 -1.26 -4.73 120.64 114.93 3kno n GLU 62 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 3kno n GLU 62 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.74 3kno n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kno n LYS 63 N 10.50 1.93 -4.49 3.49 5.02 -1.26 -5.12 118.16 128.24 3kno n LYS 63 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3kno n LYS 63 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 3kno n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kno s GLU 64 N -1.86 2.73 0.34 1.97 8.01 -1.25 -4.21 118.70 124.43 3kno s GLU 64 Ca 0.00 -0.59 -0.27 0.00 0.01 0.00 0.00 54.97 54.12 3kno s GLU 64 Cb 0.00 -2.61 -0.09 0.00 -4.31 0.00 0.00 34.13 27.12 3kno s GLU 64 CO 0.00 0.65 1.13 0.00 0.01 0.00 0.00 175.26 177.05 3kno s ALA 65 N -0.92 3.30 0.35 5.21 0.00 -0.87 -4.92 121.76 123.91 3kno s ALA 65 Ca 0.15 0.93 0.05 0.00 0.00 0.00 0.00 51.96 53.09 3kno s ALA 65 Cb -0.11 -3.35 0.67 0.00 0.00 0.00 0.00 23.12 20.33 3kno s ALA 65 CO 0.05 -0.32 1.91 -1.35 0.00 0.00 0.00 175.76 176.04 3kno h PRO 66 N 3.24 0.48 -2.66 0.00 0.11 -1.88 -3.41 132.00 127.89 3kno h PRO 66 Ca -0.48 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3kno h PRO 66 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kno h PRO 66 CO 0.65 0.50 -0.32 1.47 -0.21 0.00 0.00 178.00 180.08 3kno n LEU 67 N -4.31 -0.73 -4.52 2.35 -0.00 -1.26 -2.63 117.00 105.91 3kno n LEU 67 Ca 0.01 1.06 -0.57 0.00 -0.00 0.00 0.00 56.01 56.52 3kno n LEU 67 Cb 0.22 -2.10 -0.07 0.00 -0.00 0.00 0.00 43.42 41.46 3kno n LEU 67 CO 0.38 0.07 0.62 1.57 -0.00 0.00 0.00 177.39 180.03 3kno n HIS 68 N -1.22 0.79 0.27 1.47 -0.00 -1.26 -3.56 115.22 111.71 3kno n HIS 68 Ca 0.00 0.97 0.03 0.00 -0.00 0.00 0.00 57.72 58.72 3kno n HIS 68 Cb 0.03 -2.14 0.14 0.00 -0.00 0.00 0.00 29.99 28.03 3kno n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kno n ALA 69 N 1.65 1.45 1.15 1.57 0.00 -0.63 -1.93 120.51 123.77 3kno n ALA 69 Ca 0.20 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3kno n ALA 69 Cb 0.11 -1.09 0.42 0.00 0.00 0.00 0.00 19.45 18.88 3kno n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kno n SER 70 N -1.29 0.54 0.12 0.00 2.88 -1.26 -3.84 113.62 110.77 3kno n SER 70 Ca 0.03 -0.35 0.07 0.00 -1.33 0.00 0.00 58.87 57.28 3kno n SER 70 Cb 0.05 0.04 0.02 0.00 -0.75 0.00 0.00 64.21 63.57 3kno n SER 70 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kno h LYS 71 N 0.40 0.00 -6.21 -1.46 1.79 -1.67 -3.46 116.57 105.95 3kno h LYS 71 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 3kno h LYS 71 Cb 0.47 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 3kno h LYS 71 CO 0.00 0.19 -0.35 0.14 -1.08 0.00 0.00 179.45 178.34 3kno s VAL 72 N -3.13 5.22 -0.04 0.50 -7.23 -1.25 -1.01 120.40 113.46 3kno s VAL 72 Ca 0.02 -0.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 3kno s VAL 72 Cb 0.08 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 33.29 3kno s VAL 72 CO 0.76 -0.20 -0.03 -0.13 -0.31 0.00 0.00 175.10 175.19 3kno s ARG 73 N -3.42 0.70 1.25 4.82 0.52 -1.08 -4.91 118.95 116.82 3kno s ARG 73 Ca 0.38 -0.05 -0.15 0.00 -0.52 0.00 0.00 55.73 55.38 3kno s ARG 73 Cb -0.11 -0.77 0.31 0.00 0.52 0.00 0.00 34.95 34.90 3kno s ARG 73 CO 0.29 -0.11 0.92 -0.35 0.02 0.00 0.00 175.30 176.07 3kno n PRO 74 N 4.16 -3.04 -3.46 3.54 -0.04 -1.26 -1.38 135.00 133.52 3kno n PRO 74 Ca -0.24 -0.87 0.01 0.00 -0.04 0.00 0.00 63.50 62.36 3kno n PRO 74 Cb 0.51 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.85 3kno n PRO 74 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3kno s ILE 75 N -2.32 -0.63 -0.01 0.52 2.07 -1.14 -3.64 121.20 116.04 3kno s ILE 75 Ca 0.68 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.93 3kno s ILE 75 Cb -0.23 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.37 3kno s ILE 75 CO 0.64 0.00 -0.05 0.00 -1.91 0.00 0.00 174.94 173.62 3kno n PRO 77 N 3.22 -0.92 0.00 0.00 -0.02 -1.26 -4.51 135.00 131.51 3kno n PRO 77 Ca -0.16 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 3kno n PRO 77 Cb 0.56 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 3kno n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kno n ALA 78 N -1.97 0.00 0.00 3.55 0.00 -1.26 -4.77 120.51 116.06 3kno n ALA 78 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3kno n ALA 78 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3kno n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n GLY 80 N 0.86 -0.18 0.95 0.00 0.00 -1.24 -4.88 105.19 100.71 3kno n GLY 80 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3kno n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kno n LYS 81 N 0.00 -1.90 -0.40 1.61 5.02 -1.25 -4.68 118.16 116.55 3kno n LYS 81 Ca 0.00 1.27 -0.20 0.00 -2.02 0.00 0.00 58.31 57.36 3kno n LYS 81 Cb 0.00 -2.33 0.19 0.00 -0.02 0.00 0.00 35.03 32.88 3kno n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3kno n PRO 82 N -2.97 -2.54 -3.73 1.97 -0.02 -1.26 -4.60 135.00 121.85 3kno n PRO 82 Ca 0.00 -0.96 -0.20 0.00 -2.02 0.00 0.00 63.50 60.33 3kno n PRO 82 Cb 0.61 -1.60 -0.17 0.00 -0.02 0.00 0.00 33.50 32.31 3kno n PRO 82 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3kno s THR 83 N -2.07 0.01 0.69 3.45 -1.32 -1.26 -4.42 115.64 110.72 3kno s THR 83 Ca 0.44 0.32 0.00 0.00 -1.21 0.00 0.00 61.69 61.24 3kno s THR 83 Cb -0.08 -0.22 0.11 0.00 -1.51 0.00 0.00 72.50 70.80 3kno s THR 83 CO 0.37 0.18 0.95 -0.13 -2.21 0.00 0.00 174.62 173.78 3kno s ARG 84 N 1.88 1.83 0.16 7.08 0.52 0.12 -4.86 118.95 125.69 3kno s ARG 84 Ca 0.02 -1.11 0.10 0.00 -0.52 0.00 0.00 55.73 54.22 3kno s ARG 84 Cb -0.12 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 3kno s ARG 84 CO -0.03 -1.31 -0.19 0.08 0.02 0.00 0.00 175.30 173.86 3kno s VAL 85 N -3.06 2.70 0.24 3.52 1.01 -1.26 -1.23 120.40 122.31 3kno s VAL 85 Ca 0.65 -1.75 0.11 0.00 0.00 0.00 0.00 61.98 60.99 3kno s VAL 85 Cb -0.06 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3kno s VAL 85 CO 0.43 -0.02 -0.20 -0.60 0.00 0.00 0.00 175.10 174.71 3kno s ARG 86 N -2.48 1.66 0.07 2.72 3.52 0.25 -4.88 118.95 119.82 3kno s ARG 86 Ca 0.20 -1.63 -0.15 0.00 -0.13 0.00 0.00 55.73 54.02 3kno s ARG 86 Cb -0.09 -1.84 -0.20 0.00 -1.56 0.00 0.00 34.95 31.26 3kno s ARG 86 CO 0.11 0.37 1.22 1.57 -0.81 0.00 0.00 175.30 177.76 3kno h LYS 87 N 2.66 0.67 0.00 5.12 2.10 -1.88 -2.73 116.57 122.51 3kno h LYS 87 Ca -0.43 -0.62 0.00 0.00 -2.00 0.00 0.00 60.65 57.60 3kno h LYS 87 Cb 1.24 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 3kno h LYS 87 CO 0.55 1.23 0.00 1.63 -2.00 0.00 0.00 179.45 180.85 3kno n LYS 88 N -4.00 0.00 -1.36 0.07 4.01 -1.26 -3.53 118.16 112.09 3kno n LYS 88 Ca -0.09 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.58 3kno n LYS 88 Cb 0.76 -3.42 -0.06 0.00 -0.51 0.00 0.00 35.03 31.80 3kno n LYS 88 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3kno n PHE 89 N -2.00 -0.06 -0.18 2.13 3.01 -1.26 -4.24 117.46 114.85 3kno n PHE 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kno n PHE 89 Cb 0.00 -2.84 0.00 0.00 -0.01 0.00 0.00 39.48 36.63 3kno n PHE 89 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 3kno n LEU 90 N -1.57 0.00 0.00 4.37 -0.00 -1.25 -5.14 117.00 113.42 3kno n LEU 90 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 3kno n LEU 90 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3kno n LEU 90 CO 0.20 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.97 3kno n GLU 91 N 0.00 0.00 0.00 1.47 -0.58 -1.23 -5.18 120.64 115.12 3kno n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kno n GLU 91 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3kno n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3kno n ASN 92 N 0.00 0.00 -2.68 1.62 5.15 -1.25 -4.67 115.26 113.43 3kno n ASN 92 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 3kno n ASN 92 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 3kno n ASN 92 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kno n GLY 93 N 0.00 3.41 3.78 8.20 0.00 -1.03 -4.94 105.19 114.62 3kno n GLY 93 Ca 0.00 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 3kno n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s LYS 94 N -2.93 2.64 -0.28 1.61 1.02 -1.26 0.86 119.74 121.41 3kno s LYS 94 Ca 0.20 -1.29 -0.26 0.00 0.02 0.00 0.00 55.97 54.65 3kno s LYS 94 Cb 0.01 -2.39 0.15 0.00 -0.52 0.00 0.00 37.83 35.08 3kno s LYS 94 CO 0.14 0.24 1.19 0.21 -0.92 0.00 0.00 175.35 176.22 3kno s LYS 95 N -3.86 0.33 0.00 1.68 2.20 -0.37 0.56 119.74 120.29 3kno s LYS 95 Ca 0.36 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 3kno s LYS 95 Cb -0.06 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 3kno s LYS 95 CO 0.24 -0.05 0.00 -0.89 -0.36 0.00 0.00 175.35 174.29 3kno n ILE 96 N 1.77 0.00 -2.66 5.43 5.41 -0.05 0.15 119.36 129.41 3kno n ILE 96 Ca -0.11 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.31 3kno n ILE 96 Cb 0.57 -0.45 -0.01 0.00 -0.71 0.00 0.00 39.64 39.04 3kno n ILE 96 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3kno n ARG 97 N 0.00 3.91 0.00 0.38 1.85 -1.26 -4.48 116.66 117.06 3kno n ARG 97 Ca 0.00 -4.60 0.00 0.00 -1.00 0.00 0.00 57.85 52.25 3kno n ARG 97 Cb 0.00 -2.32 0.00 0.00 -1.05 0.00 0.00 32.46 29.09 3kno n ARG 97 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3kno n VAL 98 N -0.26 0.00 -0.04 8.89 0.31 -1.26 -5.15 118.33 120.82 3kno n VAL 98 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 3kno n VAL 98 Cb 0.37 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 3kno n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kno s ALA 100 N -0.46 3.57 0.00 0.00 0.00 -1.26 -0.87 121.76 122.74 3kno s ALA 100 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3kno s ALA 100 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.15 3kno s ALA 100 CO 0.00 0.30 0.00 1.17 0.00 0.00 0.00 175.76 177.23 3kno n LYS 101 N 3.11 0.00 0.00 0.00 4.81 0.19 -4.92 118.16 121.35 3kno n LYS 101 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 3kno n LYS 101 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3kno n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57