#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n PRO 2 N 0.00 3.41 -3.88 3.17 -0.04 -1.26 -4.23 135.00 132.17 3knk n PRO 2 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 3knk n PRO 2 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 3knk n PRO 2 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3knk s ARG 3 N 0.00 3.47 -0.15 0.54 3.52 -0.84 -2.47 118.95 123.02 3knk s ARG 3 Ca 0.00 -0.26 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3knk s ARG 3 Cb 0.00 -3.10 -0.00 0.00 -1.56 0.00 0.00 34.95 30.29 3knk s ARG 3 CO 0.00 0.67 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.83 3knk s LEU 4 N -1.87 2.42 -0.14 -0.88 0.20 0.23 -1.45 118.68 117.19 3knk s LEU 4 Ca 0.27 -0.49 0.01 0.00 0.69 0.00 0.00 54.13 54.61 3knk s LEU 4 Cb -0.13 -1.55 0.00 0.00 -0.43 0.00 0.00 46.19 44.09 3knk s LEU 4 CO 0.18 0.08 -0.18 -0.75 -0.29 0.00 0.00 176.35 175.39 3knk s LYS 5 N 0.81 3.16 0.14 1.98 2.20 0.12 0.84 119.74 128.98 3knk s LYS 5 Ca -0.06 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 54.81 3knk s LYS 5 Cb -0.15 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.60 3knk s LYS 5 CO -0.00 0.05 -0.11 0.14 -0.36 0.00 0.00 175.35 175.07 3knk s VAL 6 N 0.69 1.18 0.21 4.02 -7.23 -0.63 -0.51 120.40 118.14 3knk s VAL 6 Ca -0.08 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 3knk s VAL 6 Cb -0.16 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.09 3knk s VAL 6 CO 0.01 -0.64 0.04 1.17 -0.31 0.00 0.00 175.10 175.37 3knk n LYS 7 N 0.08 1.41 -3.84 4.82 4.81 -0.92 -0.97 118.16 123.55 3knk n LYS 7 Ca -0.12 -1.48 -0.25 0.00 -0.87 0.00 0.00 58.31 55.59 3knk n LYS 7 Cb 0.59 0.34 -0.17 0.00 0.02 0.00 0.00 35.03 35.81 3knk n LYS 7 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3knk s LEU 8 N 0.00 0.90 0.00 3.14 0.20 -1.04 -3.71 118.68 118.17 3knk s LEU 8 Ca 0.03 -0.21 0.00 0.00 0.69 0.00 0.00 54.13 54.65 3knk s LEU 8 Cb -0.00 -0.65 0.00 0.00 -0.43 0.00 0.00 46.19 45.11 3knk s LEU 8 CO 0.02 -0.16 0.00 1.33 -0.29 0.00 0.00 176.35 177.25 3knk n VAL 9 N 5.04 0.00 -4.75 1.68 0.24 -0.55 -0.08 118.33 119.91 3knk n VAL 9 Ca -0.10 -0.07 -0.25 0.00 -2.04 0.00 0.00 64.34 61.88 3knk n VAL 9 Cb 0.50 0.48 -0.16 0.00 -1.47 0.00 0.00 33.84 33.19 3knk n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3knk s LYS 10 N -0.78 1.52 0.34 7.34 2.20 -0.88 -4.98 119.74 124.49 3knk s LYS 10 Ca 0.00 -0.56 -0.19 0.00 -0.36 0.00 0.00 55.97 54.86 3knk s LYS 10 Cb 0.00 -1.37 -0.10 0.00 -1.51 0.00 0.00 37.83 34.85 3knk s LYS 10 CO 0.00 0.26 0.82 0.45 -0.36 0.00 0.00 175.35 176.52 3knk s SER 11 N -0.08 6.95 0.48 1.43 0.15 -1.26 -4.70 113.70 116.66 3knk s SER 11 Ca -0.00 1.50 0.20 0.00 0.70 0.00 0.00 55.95 58.35 3knk s SER 11 Cb -0.09 -2.46 1.19 0.00 -1.71 0.00 0.00 66.02 62.95 3knk s SER 11 CO 0.01 -0.19 2.01 -0.65 1.20 0.00 0.00 173.24 175.62 3knk h PRO 12 N 2.48 0.00 -6.37 5.44 0.11 -1.97 -3.46 132.00 128.23 3knk h PRO 12 Ca -0.48 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.02 3knk h PRO 12 Cb 1.18 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.33 3knk h PRO 12 CO 0.64 0.17 0.88 -0.89 -0.21 0.00 0.00 178.00 178.60 3knk n ILE 13 N -3.97 0.24 0.00 4.15 -0.00 -1.26 -0.17 119.36 118.34 3knk n ILE 13 Ca -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 3knk n ILE 13 Cb 0.26 -1.57 0.00 0.00 -0.00 0.00 0.00 39.64 38.33 3knk n ILE 13 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3knk n GLY 14 N 3.75 2.80 3.96 7.39 0.00 -1.26 -5.07 105.19 116.75 3knk n GLY 14 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3knk n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knk s TYR 15 N -2.65 3.38 0.46 1.61 4.12 0.75 -5.08 117.35 119.95 3knk s TYR 15 Ca 0.00 0.15 -0.22 0.00 0.02 0.00 0.00 57.07 57.01 3knk s TYR 15 Cb 0.00 -1.90 -0.10 0.00 -1.52 0.00 0.00 41.96 38.44 3knk s TYR 15 CO 0.00 0.10 0.88 -2.30 0.02 0.00 0.00 175.55 174.24 3knk n PRO 16 N -1.72 1.06 -0.01 -1.71 -0.02 -1.26 -4.83 135.00 126.51 3knk n PRO 16 Ca -0.04 0.39 0.24 0.00 -2.02 0.00 0.00 63.50 62.06 3knk n PRO 16 Cb 0.57 -1.94 0.70 0.00 -0.02 0.00 0.00 33.50 32.81 3knk n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3knk h LYS 17 N 1.11 0.00 0.11 -0.52 1.79 -1.97 0.17 116.57 117.25 3knk h LYS 17 Ca -0.44 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 57.67 3knk h LYS 17 Cb 1.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.99 3knk h LYS 17 CO 0.54 0.00 -1.93 -0.44 -1.08 0.00 0.00 179.45 176.54 3knk h ASP 18 N 0.00 0.36 0.18 0.86 3.32 -1.95 -0.97 116.42 118.23 3knk h ASP 18 Ca 0.29 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3knk h ASP 18 Cb 1.51 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3knk h ASP 18 CO -0.00 1.71 0.00 0.00 -1.72 0.00 0.00 179.24 179.23 3knk n GLN 19 N -3.42 0.18 -0.08 3.56 6.02 0.46 -1.42 117.38 122.68 3knk n GLN 19 Ca -0.29 0.16 -0.15 0.00 -0.01 0.00 0.00 57.00 56.71 3knk n GLN 19 Cb 1.05 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.74 3knk n GLN 19 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3knk n LYS 20 N -1.25 0.37 0.00 -1.09 5.02 -0.46 -4.46 118.16 116.30 3knk n LYS 20 Ca 0.06 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3knk n LYS 20 Cb 0.08 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3knk n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knk n ALA 21 N -3.37 2.14 -0.12 7.82 0.00 -0.37 -2.93 120.51 123.68 3knk n ALA 21 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 3knk n ALA 21 Cb 0.76 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 3knk n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n ALA 22 N -0.49 0.95 0.66 0.00 0.00 -0.51 -4.12 120.51 117.00 3knk n ALA 22 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3knk n ALA 22 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3knk n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knk n LEU 23 N -4.36 1.12 -0.12 0.00 4.32 -1.15 -2.72 117.00 114.09 3knk n LEU 23 Ca -0.41 -0.56 -0.16 0.00 -0.02 0.00 0.00 56.01 54.86 3knk n LEU 23 Cb 0.75 -0.33 -0.12 0.00 -1.62 0.00 0.00 43.42 42.10 3knk n LEU 23 CO 0.12 0.22 -1.29 1.17 -1.22 0.00 0.00 177.39 176.39 3knk n LYS 24 N 0.35 0.66 0.09 3.23 3.00 -1.26 -2.45 118.16 121.78 3knk n LYS 24 Ca 0.00 0.12 0.01 0.00 -0.00 0.00 0.00 58.31 58.43 3knk n LYS 24 Cb 0.22 -1.51 -0.03 0.00 0.00 0.00 0.00 35.03 33.72 3knk n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knk h ALA 25 N 0.18 0.63 0.00 3.14 0.00 -1.75 -3.14 119.26 118.32 3knk h ALA 25 Ca -0.56 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.71 3knk h ALA 25 Cb 1.94 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3knk h ALA 25 CO -0.07 0.80 0.00 1.28 0.00 0.00 0.00 179.25 181.26 3knk n LEU 26 N -3.13 0.35 -1.79 0.00 4.77 -1.20 -4.91 117.00 111.09 3knk n LEU 26 Ca -0.02 0.57 -0.19 0.00 -0.03 0.00 0.00 56.01 56.34 3knk n LEU 26 Cb 0.79 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3knk n LEU 26 CO 0.42 -0.34 -0.21 0.61 -1.33 0.00 0.00 177.39 176.54 3knk n GLY 27 N 0.32 0.85 3.29 -0.72 0.00 -1.19 -4.89 105.19 102.85 3knk n GLY 27 Ca 0.04 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 3knk n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knk s LEU 28 N -4.88 6.47 0.05 0.99 1.43 -1.03 -4.86 118.68 116.86 3knk s LEU 28 Ca 0.00 -2.89 -0.02 0.00 -1.03 0.00 0.00 54.13 50.19 3knk s LEU 28 Cb 0.00 -2.15 -0.27 0.00 0.03 0.00 0.00 46.19 43.79 3knk s LEU 28 CO 0.00 -0.49 1.03 0.03 0.23 0.00 0.00 176.35 177.15 3knk h ARG 29 N 7.45 0.23 -5.95 1.70 3.08 -1.92 -3.45 114.38 115.52 3knk h ARG 29 Ca 0.11 -0.40 -0.56 0.00 0.07 0.00 0.00 59.98 59.20 3knk h ARG 29 Cb 1.00 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 31.12 3knk h ARG 29 CO 0.79 1.14 -0.49 1.03 -1.07 0.00 0.00 179.97 181.36 3knk s ARG 30 N -2.64 2.27 0.47 0.04 0.52 -1.26 -5.13 118.95 113.21 3knk s ARG 30 Ca -0.05 -1.78 -0.05 0.00 -0.52 0.00 0.00 55.73 53.33 3knk s ARG 30 Cb 0.07 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 3knk s ARG 30 CO 0.87 -0.10 0.77 -0.51 0.02 0.00 0.00 175.30 176.35 3knk s LEU 31 N -3.92 3.66 0.00 2.53 1.43 -1.26 -3.84 118.68 117.28 3knk s LEU 31 Ca 0.41 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 3knk s LEU 31 Cb 0.02 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3knk s LEU 31 CO 0.23 -0.56 0.00 0.00 0.23 0.00 0.00 176.35 176.26 3knk n GLN 32 N -2.21 0.00 -3.41 1.70 1.13 0.88 -4.92 117.38 110.55 3knk n GLN 32 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.73 3knk n GLN 32 Cb 0.55 -4.03 -0.06 0.00 0.11 0.00 0.00 30.24 26.82 3knk n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3knk s GLN 33 N -0.58 3.87 -0.02 -1.09 0.74 -1.25 -4.79 119.66 116.53 3knk s GLN 33 Ca 0.00 0.34 -0.01 0.00 0.05 0.00 0.00 55.36 55.74 3knk s GLN 33 Cb 0.00 -2.80 0.01 0.00 1.10 0.00 0.00 33.01 31.32 3knk s GLN 33 CO 0.00 0.41 0.05 -1.21 -0.55 0.00 0.00 175.29 173.99 3knk s GLU 34 N -2.37 0.03 0.07 1.67 2.02 -1.26 -2.49 118.70 116.37 3knk s GLU 34 Ca 0.42 0.12 0.07 0.00 0.02 0.00 0.00 54.97 55.60 3knk s GLU 34 Cb -0.13 -0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.01 3knk s GLU 34 CO 0.20 -0.06 -0.16 0.50 0.02 0.00 0.00 175.26 175.76 3knk s ARG 35 N 0.38 2.05 -0.28 1.61 3.52 -0.14 -4.91 118.95 121.17 3knk s ARG 35 Ca -0.03 -1.01 -0.11 0.00 -0.13 0.00 0.00 55.73 54.45 3knk s ARG 35 Cb -0.04 -2.21 -0.05 0.00 -1.56 0.00 0.00 34.95 31.09 3knk s ARG 35 CO -0.01 0.53 0.19 0.14 -0.81 0.00 0.00 175.30 175.33 3knk s VAL 36 N -1.03 5.28 0.27 7.11 -7.23 -1.26 -1.60 120.40 121.94 3knk s VAL 36 Ca 0.17 0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.54 3knk s VAL 36 Cb -0.11 -3.51 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 3knk s VAL 36 CO 0.08 0.25 0.17 0.18 -0.31 0.00 0.00 175.10 175.47 3knk n LEU 37 N 5.06 0.00 -4.85 1.32 4.77 0.25 -4.98 117.00 118.57 3knk n LEU 37 Ca -0.14 -2.35 -0.37 0.00 -0.03 0.00 0.00 56.01 53.12 3knk n LEU 37 Cb 0.52 1.06 -0.06 0.00 -2.33 0.00 0.00 43.42 42.61 3knk n LEU 37 CO 0.33 -0.38 0.10 -0.70 -1.33 0.00 0.00 177.39 175.41 3knk s GLU 38 N -3.07 3.87 -0.40 3.23 2.56 -1.26 0.75 118.70 124.39 3knk s GLU 38 Ca 0.24 0.35 -0.29 0.00 0.00 0.00 0.00 54.97 55.27 3knk s GLU 38 Cb 0.01 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 33.01 3knk s GLU 38 CO 0.17 0.64 1.52 0.34 -0.56 0.00 0.00 175.26 177.37 3knk s ASP 39 N -1.31 6.21 0.05 -1.70 2.15 -1.03 -4.59 116.67 116.44 3knk s ASP 39 Ca 0.27 0.93 -0.10 0.00 0.43 0.00 0.00 52.55 54.08 3knk s ASP 39 Cb -0.16 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 3knk s ASP 39 CO 0.15 -1.52 0.22 0.42 -0.17 0.00 0.00 175.17 174.27 3knk s THR 40 N 5.85 0.11 -0.53 1.71 -4.23 -1.26 -4.82 115.64 112.46 3knk s THR 40 Ca 0.66 -0.88 0.08 0.00 -1.18 0.00 0.00 61.69 60.37 3knk s THR 40 Cb -0.16 -0.98 0.08 0.00 1.34 0.00 0.00 72.50 72.77 3knk s THR 40 CO 0.33 -0.48 1.16 -2.65 -0.54 0.00 0.00 174.62 172.44 3knk n PRO 41 N 0.54 0.05 -0.01 3.99 -0.02 -1.26 -0.90 135.00 137.38 3knk n PRO 41 Ca -0.18 0.50 -0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3knk n PRO 41 Cb 0.60 -1.77 -0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3knk n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knk h ALA 42 N 1.66 0.00 0.11 3.55 0.00 -1.93 -2.88 119.26 119.77 3knk h ALA 42 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3knk h ALA 42 Cb 0.21 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3knk h ALA 42 CO 0.00 0.05 -0.34 0.82 0.00 0.00 0.00 179.25 179.78 3knk h ILE 43 N -0.14 0.00 -0.79 0.00 1.08 -1.71 0.23 117.51 116.19 3knk h ILE 43 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.66 3knk h ILE 43 Cb 0.05 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.68 3knk h ILE 43 CO 0.00 0.00 0.15 0.03 -0.69 0.00 0.00 178.15 177.64 3knk h ARG 44 N -0.51 0.20 -0.97 2.37 3.08 -1.27 -0.63 114.38 116.65 3knk h ARG 44 Ca -0.01 -0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.33 3knk h ARG 44 Cb 0.50 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 3knk h ARG 44 CO -0.16 0.13 0.68 0.41 -1.07 0.00 0.00 179.97 179.95 3knk n GLY 45 N -1.38 -0.52 0.33 0.04 0.00 0.81 0.11 105.19 104.57 3knk n GLY 45 Ca 0.16 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 46.38 3knk n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knk n ASN 46 N -3.38 1.56 -0.42 1.61 4.13 -0.26 -4.37 115.26 114.13 3knk n ASN 46 Ca 0.24 0.27 0.34 0.00 1.68 0.00 0.00 54.58 57.11 3knk n ASN 46 Cb 1.03 -0.64 0.62 0.00 -1.54 0.00 0.00 39.78 39.25 3knk n ASN 46 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3knk h VAL 47 N -0.78 0.17 -0.69 2.41 2.07 -0.67 1.35 116.25 120.12 3knk h VAL 47 Ca -0.48 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.12 3knk h VAL 47 Cb 1.39 0.03 -0.13 0.00 -1.52 0.00 0.00 31.29 31.06 3knk h VAL 47 CO -0.29 0.02 -0.27 -0.33 0.02 0.00 0.00 177.57 176.72 3knk h GLU 48 N 0.13 -0.07 -0.92 1.57 4.39 0.57 0.24 114.58 120.48 3knk h GLU 48 Ca 0.79 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.46 3knk h GLU 48 Cb 2.38 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 31.03 3knk h GLU 48 CO -0.44 -0.05 0.04 1.17 -1.16 0.00 0.00 179.01 178.57 3knk n LYS 49 N -5.46 1.80 -2.28 2.33 4.81 0.46 -3.29 118.16 116.53 3knk n LYS 49 Ca 0.07 -0.78 0.01 0.00 -0.87 0.00 0.00 58.31 56.75 3knk n LYS 49 Cb 0.37 -1.59 0.04 0.00 0.02 0.00 0.00 35.03 33.87 3knk n LYS 49 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3knk n VAL 50 N 0.14 0.78 1.96 3.15 0.24 0.84 -4.84 118.33 120.60 3knk n VAL 50 Ca 0.09 -2.17 0.08 0.00 -2.04 0.00 0.00 64.34 60.31 3knk n VAL 50 Cb 0.57 1.16 0.48 0.00 -1.47 0.00 0.00 33.84 34.58 3knk n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knk n ALA 51 N -0.16 2.58 -0.03 2.33 0.00 -1.14 -0.64 120.51 123.44 3knk n ALA 51 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 3knk n ALA 51 Cb 0.94 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 3knk n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3knk n HIS 52 N -0.76 0.00 -0.10 0.00 1.44 -1.26 -4.71 115.22 109.83 3knk n HIS 52 Ca 0.12 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.61 3knk n HIS 52 Cb 0.06 -0.34 -0.12 0.00 0.12 0.00 0.00 29.99 29.71 3knk n HIS 52 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3knk h LEU 53 N 0.00 0.02-10.32 2.39 3.38 -1.77 -3.44 115.31 105.57 3knk h LEU 53 Ca -0.14 -0.54 -0.48 0.00 0.09 0.00 0.00 57.88 56.82 3knk h LEU 53 Cb 1.08 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.85 3knk h LEU 53 CO 0.01 1.50 0.01 -0.69 0.09 0.00 0.00 178.44 179.35 3knk s VAL 54 N -2.37 4.56 -0.17 1.22 1.01 0.19 -1.48 120.40 123.36 3knk s VAL 54 Ca -0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 3knk s VAL 54 Cb 0.06 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.76 3knk s VAL 54 CO 0.60 -0.61 -0.06 -0.13 0.00 0.00 0.00 175.10 174.90 3knk s ARG 55 N -4.64 1.53 0.40 2.72 0.52 -1.24 -4.74 118.95 113.49 3knk s ARG 55 Ca 0.47 -0.57 -0.17 0.00 -0.52 0.00 0.00 55.73 54.94 3knk s ARG 55 Cb -0.10 -2.07 -0.09 0.00 0.52 0.00 0.00 34.95 33.20 3knk s ARG 55 CO 0.41 -0.43 0.85 0.08 0.02 0.00 0.00 175.30 176.23 3knk s VAL 56 N 1.60 4.56 -0.18 3.52 1.01 -1.26 -2.17 120.40 127.47 3knk s VAL 56 Ca 0.00 1.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.96 3knk s VAL 56 Cb -0.15 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.65 3knk s VAL 56 CO -0.08 -0.33 0.52 -0.70 0.00 0.00 0.00 175.10 174.51 3knk s GLU 57 N -3.27 0.63 -0.42 2.72 2.12 0.33 -4.99 118.70 115.82 3knk s GLU 57 Ca 0.58 0.67 -0.12 0.00 0.36 0.00 0.00 54.97 56.46 3knk s GLU 57 Cb -0.10 0.31 0.06 0.00 0.26 0.00 0.00 34.13 34.66 3knk s GLU 57 CO 0.19 -0.09 0.28 0.08 -0.54 0.00 0.00 175.26 175.18 3knk s VAL 58 N 0.15 4.69 0.00 3.70 1.01 -1.26 0.14 120.40 128.82 3knk s VAL 58 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3knk s VAL 58 Cb -0.04 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3knk s VAL 58 CO 0.01 -0.43 0.00 0.52 0.00 0.00 0.00 175.10 175.20 3knk n VAL 59 N 5.04 0.00 0.00 2.92 0.31 -0.53 -4.98 118.33 121.09 3knk n VAL 59 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3knk n VAL 59 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3knk n VAL 59 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67