#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n ILE 2 N 0.00 -5.91 -1.69 1.12 0.00 -1.26 -4.84 119.36 106.78 3k1f n ILE 2 Ca 0.00 2.06 -0.60 0.00 0.00 0.00 0.00 62.75 64.21 3k1f n ILE 2 Cb 0.00 -2.95 -0.08 0.00 0.00 0.00 0.00 39.64 36.61 3k1f n ILE 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3k1f n VAL 3 N 0.98 0.15 -1.70 9.51 0.24 -1.26 -4.88 118.33 121.37 3k1f n VAL 3 Ca 0.00 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 61.85 3k1f n VAL 3 Cb 0.00 -0.86 -0.03 0.00 -1.47 0.00 0.00 33.84 31.48 3k1f n VAL 3 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3k1f n PRO 4 N 4.26 2.80 -1.94 7.34 -0.04 -1.26 -4.55 135.00 141.61 3k1f n PRO 4 Ca 0.26 1.01 -0.43 0.00 -0.04 0.00 0.00 63.50 64.31 3k1f n PRO 4 Cb 0.08 -2.89 -0.03 0.00 -0.04 0.00 0.00 33.50 30.62 3k1f n PRO 4 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3k1f s VAL 5 N 2.02 3.44 0.38 0.52 1.01 -1.26 -3.44 120.40 123.06 3k1f s VAL 5 Ca 0.79 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3k1f s VAL 5 Cb -0.49 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3k1f s VAL 5 CO 0.35 -0.19 0.00 0.54 0.00 0.00 0.00 175.10 175.80 3k1f n ARG 6 N 7.84 -3.12 -1.81 2.72 1.74 -1.26 -4.85 116.66 117.93 3k1f n ARG 6 Ca 0.21 2.34 -0.40 0.00 -0.77 0.00 0.00 57.85 59.23 3k1f n ARG 6 Cb 0.44 -2.70 0.01 0.00 -1.02 0.00 0.00 32.46 29.20 3k1f n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k1f h PHE 8 N 2.44 0.21 0.00 0.00 0.05 -1.91 -3.16 116.94 114.56 3k1f h PHE 8 Ca -0.51 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.23 3k1f h PHE 8 Cb 1.26 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 39.16 3k1f h PHE 8 CO 0.51 0.52 0.00 0.45 -0.18 0.00 0.00 178.31 179.60 3k1f n SER 9 N -4.76 0.00 -0.03 2.17 2.88 -1.26 -4.63 113.62 107.99 3k1f n SER 9 Ca -0.07 0.10 -0.11 0.00 -1.33 0.00 0.00 58.87 57.46 3k1f n SER 9 Cb 0.25 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 3k1f n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k1f n GLY 11 N -0.83 1.45 3.77 0.00 0.00 -1.19 -5.03 105.19 103.36 3k1f n GLY 11 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3k1f n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k1f s LYS 12 N -0.18 4.32 0.14 1.61 2.20 -1.26 -4.46 119.74 122.12 3k1f s LYS 12 Ca 0.00 1.80 -0.35 0.00 -0.36 0.00 0.00 55.97 57.06 3k1f s LYS 12 Cb 0.00 -2.88 -0.15 0.00 -1.51 0.00 0.00 37.83 33.29 3k1f s LYS 12 CO 0.00 -0.07 1.43 1.33 -0.36 0.00 0.00 175.35 177.67 3k1f n VAL 13 N 0.53 0.20 0.00 4.02 0.24 -1.26 -0.24 118.33 121.82 3k1f n VAL 13 Ca 0.02 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3k1f n VAL 13 Cb 0.46 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 3k1f n VAL 13 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3k1f n VAL 14 N 2.70 0.00 -0.36 3.34 0.31 -1.26 -4.78 118.33 118.28 3k1f n VAL 14 Ca 0.17 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.53 3k1f n VAL 14 Cb 0.25 -0.52 0.10 0.00 -0.91 0.00 0.00 33.84 32.76 3k1f n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k1f n GLY 15 N 2.42 -1.81 0.16 2.92 0.00 -1.22 -1.24 105.19 106.41 3k1f n GLY 15 Ca 0.00 1.07 0.04 0.00 0.00 0.00 0.00 46.02 47.13 3k1f n GLY 15 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3k1f h ASP 16 N 0.00 0.00 0.00 1.61 3.04 -1.94 -3.36 116.42 115.78 3k1f h ASP 16 Ca 0.42 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.21 3k1f h ASP 16 Cb 0.66 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.95 3k1f h ASP 16 CO -1.00 0.46 -0.00 0.11 -2.04 0.00 0.00 179.24 176.77 3k1f h LYS 17 N 0.00 0.00 -0.80 4.15 6.56 -1.49 -3.04 116.57 121.95 3k1f h LYS 17 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3k1f h LYS 17 Cb 1.18 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.80 3k1f h LYS 17 CO 0.06 0.00 0.51 2.35 -2.06 0.00 0.00 179.45 180.31 3k1f h TRP 18 N 0.00 1.03 -0.23 -1.35 2.91 -1.71 -1.25 115.95 115.35 3k1f h TRP 18 Ca -0.00 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.06 3k1f h TRP 18 Cb 0.00 -0.34 -0.06 0.00 -0.51 0.00 0.00 29.16 28.25 3k1f h TRP 18 CO 0.00 0.67 -0.45 0.93 -1.03 0.00 0.00 178.44 178.55 3k1f h GLU 19 N 1.09 -0.38 -0.19 2.65 4.39 -1.80 -1.05 114.58 119.28 3k1f h GLU 19 Ca 0.29 0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.89 3k1f h GLU 19 Cb -0.09 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3k1f h GLU 19 CO -0.06 -0.26 -0.42 0.77 -1.16 0.00 0.00 179.01 177.89 3k1f h SER 20 N -0.40 0.48 -0.39 1.42 0.02 -1.70 -3.29 113.55 109.69 3k1f h SER 20 Ca 0.04 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3k1f h SER 20 Cb 0.52 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3k1f h SER 20 CO -0.43 0.85 0.23 0.22 -1.14 0.00 0.00 176.83 176.56 3k1f h TYR 21 N 0.38 0.51 -0.44 3.45 3.20 -0.62 -0.52 116.97 122.93 3k1f h TYR 21 Ca 0.03 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 3k1f h TYR 21 Cb 0.89 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3k1f h TYR 21 CO 0.03 0.37 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.65 3k1f h LEU 22 N 0.51 0.88 -0.85 2.82 4.07 -1.29 -2.61 115.31 118.84 3k1f h LEU 22 Ca 0.14 -0.31 -0.12 0.00 0.08 0.00 0.00 57.88 57.66 3k1f h LEU 22 Cb 0.01 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 3k1f h LEU 22 CO -0.03 1.06 -0.55 -1.13 -1.08 0.00 0.00 178.44 176.71 3k1f h ASN 23 N 0.76 0.07 -0.20 -0.43 -1.24 -1.61 -1.39 115.58 111.54 3k1f h ASN 23 Ca 0.11 -0.04 -0.10 0.00 0.71 0.00 0.00 56.30 56.97 3k1f h ASN 23 Cb 0.73 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 3k1f h ASN 23 CO 0.06 0.61 -0.22 0.25 -1.29 0.00 0.00 177.43 176.84 3k1f h LEU 24 N 0.05 0.66 -0.03 0.34 6.46 -0.90 0.34 115.31 122.23 3k1f h LEU 24 Ca -0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3k1f h LEU 24 Cb 0.99 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 3k1f h LEU 24 CO 0.08 0.87 -0.40 0.18 -0.62 0.00 0.00 178.44 178.55 3k1f n LEU 25 N -4.12 0.44 0.00 2.25 4.77 -1.00 -2.02 117.00 117.33 3k1f n LEU 25 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3k1f n LEU 25 Cb 0.41 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3k1f n LEU 25 CO 0.43 0.11 0.00 1.67 -1.33 0.00 0.00 177.39 178.27 3k1f n GLN 26 N -1.45 0.00 0.38 3.23 7.27 -0.53 -4.25 117.38 122.03 3k1f n GLN 26 Ca 0.06 0.01 -0.17 0.00 0.07 0.00 0.00 57.00 56.97 3k1f n GLN 26 Cb 0.34 -0.18 -0.09 0.00 2.41 0.00 0.00 30.24 32.72 3k1f n GLN 26 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 3k1f h GLU 27 N 0.00 -1.02 0.00 3.69 4.81 -0.57 -2.71 114.58 118.79 3k1f h GLU 27 Ca 0.00 0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3k1f h GLU 27 Cb 0.00 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3k1f h GLU 27 CO 0.00 -0.68 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.05 3k1f h ASP 28 N -1.05 0.00 -3.80 1.04 5.19 -1.64 -3.47 116.42 112.68 3k1f h ASP 28 Ca -0.09 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 55.90 3k1f h ASP 28 Cb 0.85 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.38 3k1f h ASP 28 CO 0.09 0.11 -0.58 1.21 -3.12 0.00 0.00 179.24 176.95 3k1f n GLU 29 N -3.38 -3.47 -0.63 3.56 2.13 -1.02 -5.01 120.64 112.82 3k1f n GLU 29 Ca -0.01 0.96 -0.15 0.00 0.66 0.00 0.00 57.16 58.63 3k1f n GLU 29 Cb 0.30 -5.74 0.12 0.00 0.27 0.00 0.00 31.44 26.38 3k1f n GLU 29 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3k1f n LEU 30 N -3.58 0.00 -4.77 4.31 4.77 -0.85 -4.93 117.00 111.94 3k1f n LEU 30 Ca -0.18 -0.61 -0.25 0.00 -0.03 0.00 0.00 56.01 54.94 3k1f n LEU 30 Cb 0.65 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3k1f n LEU 30 CO 0.39 -1.40 -0.23 1.51 -1.33 0.00 0.00 177.39 176.32 3k1f s ASP 31 N -3.07 5.33 0.18 -1.43 -4.77 -1.26 -4.70 116.67 106.95 3k1f s ASP 31 Ca 0.35 -0.23 -0.16 0.00 -3.30 0.00 0.00 52.55 49.21 3k1f s ASP 31 Cb -0.03 -1.32 0.15 0.00 -1.09 0.00 0.00 42.92 40.63 3k1f s ASP 31 CO 0.26 0.05 1.65 -0.33 0.70 0.00 0.00 175.17 177.50 3k1f h GLU 32 N 2.24 -0.00 -0.71 2.11 3.07 -1.98 -0.83 114.58 118.48 3k1f h GLU 32 Ca -0.48 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.53 3k1f h GLU 32 Cb 1.21 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.08 3k1f h GLU 32 CO 0.61 -0.00 0.48 0.78 -1.40 0.00 0.00 179.01 179.48 3k1f h GLY 33 N -0.00 0.59 0.87 -3.84 0.00 -2.00 -0.14 103.07 98.55 3k1f h GLY 33 Ca 0.23 -0.15 -0.32 0.00 0.00 0.00 0.00 47.33 47.09 3k1f h GLY 33 CO -0.50 0.06 -1.80 -0.84 0.00 0.00 0.00 176.54 173.45 3k1f h THR 34 N 0.35 0.78 0.39 4.70 2.02 -1.87 -3.29 112.91 116.00 3k1f h THR 34 Ca 0.35 -2.58 -0.02 0.00 0.77 0.00 0.00 66.41 64.93 3k1f h THR 34 Cb 0.85 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 3k1f h THR 34 CO -0.10 0.66 -0.19 0.00 0.37 0.00 0.00 175.52 176.26 3k1f h ALA 35 N 0.64 -0.52 -0.97 6.16 0.00 -0.40 -0.54 119.26 123.61 3k1f h ALA 35 Ca -0.33 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.51 3k1f h ALA 35 Cb 2.02 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.94 3k1f h ALA 35 CO 0.09 -0.73 0.63 -0.07 0.00 0.00 0.00 179.25 179.16 3k1f h LEU 36 N -0.65 0.96 0.46 0.00 3.38 -1.25 -0.37 115.31 117.85 3k1f h LEU 36 Ca -0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3k1f h LEU 36 Cb 0.47 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3k1f h LEU 36 CO 0.09 0.59 -0.22 0.28 0.09 0.00 0.00 178.44 179.27 3k1f h SER 37 N 1.07 -0.52 0.24 -0.43 0.02 -1.61 -1.02 113.55 111.30 3k1f h SER 37 Ca 0.44 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 3k1f h SER 37 Cb 0.27 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3k1f h SER 37 CO -0.19 -0.16 -0.25 -0.09 -1.14 0.00 0.00 176.83 175.01 3k1f h ARG 38 N -0.93 0.01 0.00 3.45 2.43 -0.88 -2.12 114.38 116.34 3k1f h ARG 38 Ca -0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3k1f h ARG 38 Cb 0.58 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3k1f h ARG 38 CO 0.10 0.25 0.00 -0.07 -1.51 0.00 0.00 179.97 178.74 3k1f h LEU 39 N 0.01 0.00 -2.64 3.80 3.38 -1.12 -3.47 115.31 115.27 3k1f h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1f h LEU 39 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3k1f h LEU 39 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3k1f n GLY 40 N -0.10 0.86 2.66 0.83 0.00 -0.80 -5.03 105.19 103.61 3k1f n GLY 40 Ca 0.01 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 3k1f n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1f n LEU 41 N -1.32 3.85 -0.00 0.99 4.77 -0.39 -5.02 117.00 119.87 3k1f n LEU 41 Ca 0.00 -5.25 -0.00 0.00 -0.03 0.00 0.00 56.01 50.73 3k1f n LEU 41 Cb 0.46 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3k1f n LEU 41 CO 0.00 2.23 0.02 0.29 -1.33 0.00 0.00 177.39 178.60 3k1f n LYS 42 N -0.25 -0.00 -3.61 3.23 5.02 -1.26 -4.24 118.16 117.04 3k1f n LYS 42 Ca 0.31 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.40 3k1f n LYS 42 Cb 0.56 -0.06 -0.02 0.00 -0.02 0.00 0.00 35.03 35.48 3k1f n LYS 42 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3k1f s ARG 43 N -3.44 3.50 0.56 1.97 3.03 -1.26 -4.99 118.95 118.31 3k1f s ARG 43 Ca -0.00 -0.41 0.25 0.00 2.03 0.00 0.00 55.73 57.60 3k1f s ARG 43 Cb 0.00 -2.77 1.50 0.00 -1.03 0.00 0.00 34.95 32.65 3k1f s ARG 43 CO 0.01 0.30 2.09 0.10 -1.13 0.00 0.00 175.30 176.66 3k1f h TYR 44 N 1.34 0.00 -0.18 5.89 -0.00 -1.98 -1.64 116.97 120.40 3k1f h TYR 44 Ca -0.49 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.12 3k1f h TYR 44 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.93 3k1f h TYR 44 CO 0.52 0.00 -0.37 0.00 -0.00 0.00 0.00 178.16 178.31 3k1f h ARG 47 N 0.15 1.06 0.00 0.00 3.08 -1.13 -1.91 114.38 115.62 3k1f h ARG 47 Ca -0.20 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3k1f h ARG 47 Cb 2.06 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.92 3k1f h ARG 47 CO 0.25 0.83 -0.04 0.07 -1.07 0.00 0.00 179.97 180.00 3k1f h ARG 48 N 1.05 0.00 -0.01 0.04 0.11 -1.18 -0.21 114.38 114.18 3k1f h ARG 48 Ca 0.25 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.26 3k1f h ARG 48 Cb 0.13 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.22 3k1f h ARG 48 CO -0.03 0.04 -0.28 1.98 0.10 0.00 0.00 179.97 181.78 3k1f h MET 49 N 0.00 0.21 0.10 0.08 4.05 -1.37 -3.06 114.93 114.94 3k1f h MET 49 Ca -0.00 -0.21 -0.16 0.00 -0.28 0.00 0.00 59.70 59.05 3k1f h MET 49 Cb 0.45 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.31 3k1f h MET 49 CO 0.01 0.92 -0.74 0.82 0.23 0.00 0.00 176.91 178.15 3k1f h ILE 50 N -0.41 1.47 0.60 1.77 1.08 -1.43 -3.29 117.51 117.30 3k1f h ILE 50 Ca -0.03 -2.45 -0.03 0.00 -0.39 0.00 0.00 64.86 61.95 3k1f h ILE 50 Cb 1.01 3.12 0.01 0.00 -3.07 0.00 0.00 36.82 37.89 3k1f h ILE 50 CO 0.06 0.67 -0.29 0.25 -0.69 0.00 0.00 178.15 178.15 3k1f h LEU 51 N -0.54 -0.68 -0.29 1.44 5.85 -1.22 -3.29 115.31 116.58 3k1f h LEU 51 Ca -0.15 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3k1f h LEU 51 Cb 1.49 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.70 3k1f h LEU 51 CO 0.08 -0.34 0.00 0.41 -0.34 0.00 0.00 178.44 178.25 3k1f n THR 52 N -4.99 1.73 -2.38 1.05 -1.04 -1.15 -4.80 114.28 102.69 3k1f n THR 52 Ca -0.10 0.53 -0.41 0.00 -2.04 0.00 0.00 64.05 62.02 3k1f n THR 52 Cb 0.32 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 3k1f n THR 52 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3k1f s HIS 53 N -3.11 3.43 -0.27 -1.42 5.65 -1.24 -5.04 115.29 113.30 3k1f s HIS 53 Ca 0.00 1.41 -0.05 0.00 0.25 0.00 0.00 55.06 56.66 3k1f s HIS 53 Cb 0.02 -3.43 0.00 0.00 -1.18 0.00 0.00 32.58 28.00 3k1f s HIS 53 CO 0.06 -1.20 0.03 0.08 -0.65 0.00 0.00 174.74 173.06 3k1f s VAL 54 N 0.09 3.72 -1.24 0.89 1.01 -1.26 -5.04 120.40 118.57 3k1f s VAL 54 Ca 0.54 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 3k1f s VAL 54 Cb -0.32 -2.84 0.18 0.00 0.00 0.00 0.00 36.38 33.40 3k1f s VAL 54 CO 0.35 0.21 1.70 -0.67 0.00 0.00 0.00 175.10 176.70 3k1f n ASP 55 N 4.83 5.24 0.25 3.32 2.03 -1.26 0.18 116.55 131.13 3k1f n ASP 55 Ca -0.16 -3.09 0.10 0.00 0.52 0.00 0.00 54.79 52.16 3k1f n ASP 55 Cb 0.49 -1.49 0.66 0.00 -0.72 0.00 0.00 41.12 40.06 3k1f n ASP 55 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3k1f h LEU 56 N 8.18 0.00 -0.95 -2.67 4.07 -1.97 -3.28 115.31 118.69 3k1f h LEU 56 Ca 0.35 0.00 0.31 0.00 0.08 0.00 0.00 57.88 58.62 3k1f h LEU 56 Cb 0.70 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.27 3k1f h LEU 56 CO 1.48 0.12 0.18 0.00 -1.08 0.00 0.00 178.44 179.15 3k1f n ILE 57 N -3.98 -0.40 -0.04 1.22 3.06 -1.26 -0.42 119.36 117.54 3k1f n ILE 57 Ca -0.02 2.04 -0.11 0.00 -2.50 0.00 0.00 62.75 62.16 3k1f n ILE 57 Cb 0.21 -3.09 -0.05 0.00 0.54 0.00 0.00 39.64 37.25 3k1f n ILE 57 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3k1f h GLU 58 N 0.00 0.23 -0.75 9.51 4.39 -2.00 0.01 114.58 125.98 3k1f h GLU 58 Ca 0.65 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.33 3k1f h GLU 58 Cb 1.50 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 30.07 3k1f h GLU 58 CO -0.84 0.35 0.50 0.87 -1.16 0.00 0.00 179.01 178.72 3k1f h LYS 59 N 0.07 0.94 -0.08 2.33 1.79 -0.98 -2.01 116.57 118.63 3k1f h LYS 59 Ca 0.05 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3k1f h LYS 59 Cb 0.21 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3k1f h LYS 59 CO -0.00 0.62 -0.02 0.74 -1.08 0.00 0.00 179.45 179.71 3k1f h PHE 60 N 0.97 0.17 -0.34 -1.35 -1.00 -0.74 -3.24 116.94 111.40 3k1f h PHE 60 Ca 0.29 -0.04 0.01 0.00 2.81 0.00 0.00 57.97 61.04 3k1f h PHE 60 Cb -0.02 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 3k1f h PHE 60 CO -0.00 0.47 0.23 -0.07 -1.61 0.00 0.00 178.31 177.33 3k1f h LEU 61 N -0.18 0.37 -1.53 1.54 3.38 -0.38 -3.02 115.31 115.50 3k1f h LEU 61 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k1f h LEU 61 Cb 0.41 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3k1f h LEU 61 CO 0.01 0.27 0.39 -0.09 0.09 0.00 0.00 178.44 179.10 3k1f h ARG 62 N 0.44 0.00 -7.02 1.13 2.43 -1.41 -3.42 114.38 106.53 3k1f h ARG 62 Ca 0.13 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.84 3k1f h ARG 62 Cb -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3k1f h ARG 62 CO -0.03 0.00 0.36 0.71 -1.51 0.00 0.00 179.97 179.50 3k1f s TYR 63 N -3.89 3.32 0.00 2.20 1.51 -1.14 -5.06 117.35 114.28 3k1f s TYR 63 Ca -0.03 1.64 0.00 0.00 -1.01 0.00 0.00 57.07 57.67 3k1f s TYR 63 Cb 0.07 -2.93 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 3k1f s TYR 63 CO 0.21 -0.24 0.00 -1.71 -1.11 0.00 0.00 175.55 172.70 3k1f n ASN 64 N -0.42 0.00 0.00 2.29 5.15 -1.26 -5.12 115.26 115.89 3k1f n ASN 64 Ca 0.06 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.12 3k1f n ASN 64 Cb 0.53 0.00 0.46 0.00 -0.53 0.00 0.00 39.78 40.24 3k1f n ASN 64 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01