#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n GLN 3 N 0.00 -1.70 -0.02 -1.24 10.64 -1.26 -4.47 117.38 119.33 3k1f n GLN 3 Ca 0.00 1.21 0.09 0.00 -1.83 0.00 0.00 57.00 56.47 3k1f n GLN 3 Cb 0.00 -2.17 0.09 0.00 -0.86 0.00 0.00 30.24 27.30 3k1f n GLN 3 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3k1f n GLU 4 N -2.97 1.69 0.16 2.61 -0.58 -1.26 -4.10 120.64 116.18 3k1f n GLU 4 Ca -0.01 -1.67 0.03 0.00 -0.42 0.00 0.00 57.16 55.09 3k1f n GLU 4 Cb 0.60 -1.37 0.16 0.00 -0.57 0.00 0.00 31.44 30.26 3k1f n GLU 4 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3k1f h ASN 5 N 3.68 0.00 -0.16 1.62 -0.73 -2.01 -3.25 115.58 114.74 3k1f h ASN 5 Ca 0.00 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.20 3k1f h ASN 5 Cb 0.79 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.35 3k1f h ASN 5 CO 0.00 0.48 -0.02 -0.08 -0.37 0.00 0.00 177.43 177.44 3k1f h GLU 6 N 0.00 0.03 0.00 6.67 4.81 -1.78 -2.44 114.58 121.86 3k1f h GLU 6 Ca -0.00 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3k1f h GLU 6 Cb 1.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3k1f h GLU 6 CO 0.06 0.02 -0.40 0.07 -0.73 0.00 0.00 179.01 178.03 3k1f h ARG 7 N 0.03 0.00 0.00 1.92 0.11 -1.81 -1.28 114.38 113.35 3k1f h ARG 7 Ca 0.08 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.07 3k1f h ARG 7 Cb 0.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 3k1f h ARG 7 CO -0.15 0.40 -0.40 -0.97 0.10 0.00 0.00 179.97 178.96 3k1f h ASN 8 N 0.00 0.00 -0.01 0.08 -0.73 -1.54 -0.61 115.58 112.77 3k1f h ASN 8 Ca -0.00 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.02 3k1f h ASN 8 Cb 0.72 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.33 3k1f h ASN 8 CO 0.05 0.40 -0.55 0.40 -0.37 0.00 0.00 177.43 177.36 3k1f h ILE 9 N 0.00 1.44 -0.51 2.57 2.04 -1.01 -2.74 117.51 119.30 3k1f h ILE 9 Ca -0.00 -2.05 0.04 0.00 1.00 0.00 0.00 64.86 63.85 3k1f h ILE 9 Cb 0.71 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 39.34 3k1f h ILE 9 CO 0.05 0.59 0.26 -1.28 0.00 0.00 0.00 178.15 177.78 3k1f h SER 10 N -0.14 0.39 -0.32 1.72 0.87 -0.93 -1.00 113.55 114.14 3k1f h SER 10 Ca -0.07 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 3k1f h SER 10 Cb 1.26 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 3k1f h SER 10 CO 0.11 0.27 0.10 0.03 -0.53 0.00 0.00 176.83 176.81 3k1f h ARG 11 N 0.51 0.49 -0.66 2.24 3.08 -1.20 -1.60 114.38 117.25 3k1f h ARG 11 Ca 0.22 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3k1f h ARG 11 Cb 0.11 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3k1f h ARG 11 CO -0.15 0.53 0.21 1.25 -1.07 0.00 0.00 179.97 180.74 3k1f h LEU 12 N 0.36 0.93 -0.61 3.04 5.85 -1.31 -1.24 115.31 122.33 3k1f h LEU 12 Ca 0.10 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3k1f h LEU 12 Cb 0.24 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3k1f h LEU 12 CO -0.00 0.87 0.21 -0.25 -0.34 0.00 0.00 178.44 178.93 3k1f h TRP 13 N 0.97 0.96 -0.54 1.25 7.01 -1.05 -1.00 115.95 123.55 3k1f h TRP 13 Ca 0.22 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 3k1f h TRP 13 Cb 0.27 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 3k1f h TRP 13 CO 0.02 0.78 0.18 0.00 -2.79 0.00 0.00 178.44 176.63 3k1f h ARG 14 N 0.86 0.84 -0.44 2.65 3.08 -0.98 -1.38 114.38 119.00 3k1f h ARG 14 Ca 0.20 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3k1f h ARG 14 Cb 0.25 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3k1f h ARG 14 CO -0.01 0.76 0.01 0.00 -1.07 0.00 0.00 179.97 179.66 3k1f h ALA 15 N 1.04 1.19 -0.28 0.04 0.00 -1.06 -1.41 119.26 118.77 3k1f h ALA 15 Ca 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3k1f h ALA 15 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3k1f h ALA 15 CO -0.01 0.53 0.02 0.35 0.00 0.00 0.00 179.25 180.15 3k1f h PHE 16 N 0.68 0.52 -0.86 0.00 3.57 -0.89 -0.38 116.94 119.58 3k1f h PHE 16 Ca 0.14 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3k1f h PHE 16 Cb 0.40 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3k1f h PHE 16 CO 0.02 0.60 0.57 -0.09 -2.23 0.00 0.00 178.31 177.18 3k1f h ARG 17 N 0.29 1.12 -0.04 1.11 2.43 -1.05 -0.92 114.38 117.32 3k1f h ARG 17 Ca 0.08 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3k1f h ARG 17 Cb 0.38 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3k1f h ARG 17 CO 0.01 0.74 -0.28 1.15 -1.51 0.00 0.00 179.97 180.08 3k1f h THR 18 N 1.16 1.22 -0.05 0.20 2.02 -1.00 -0.75 112.91 115.70 3k1f h THR 18 Ca 0.32 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3k1f h THR 18 Cb -0.11 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3k1f h THR 18 CO -0.08 0.31 -0.03 0.58 0.37 0.00 0.00 175.52 176.67 3k1f h VAL 19 N 0.07 1.33 -0.75 3.16 2.07 -0.08 -0.28 116.25 121.77 3k1f h VAL 19 Ca 0.01 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3k1f h VAL 19 Cb 0.54 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 3k1f h VAL 19 CO 0.04 0.29 0.45 0.11 0.02 0.00 0.00 177.57 178.48 3k1f h LYS 20 N -0.28 0.81 -0.51 1.57 1.79 -1.01 -0.51 116.57 118.43 3k1f h LYS 20 Ca 0.01 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 3k1f h LYS 20 Cb 0.47 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 3k1f h LYS 20 CO 0.01 0.54 0.09 0.93 -1.08 0.00 0.00 179.45 179.94 3k1f h GLU 21 N 0.84 0.84 -0.78 3.15 5.08 -1.08 -1.17 114.58 121.46 3k1f h GLU 21 Ca 0.33 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3k1f h GLU 21 Cb 0.15 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3k1f h GLU 21 CO -0.16 0.83 0.32 1.98 -1.00 0.00 0.00 179.01 180.97 3k1f h MET 22 N 0.72 1.15 0.57 2.33 4.05 -0.40 -1.05 114.93 122.31 3k1f h MET 22 Ca 0.16 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 3k1f h MET 22 Cb 0.39 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3k1f h MET 22 CO 0.01 0.93 -0.27 0.28 0.23 0.00 0.00 176.91 178.09 3k1f h VAL 23 N 1.12 0.26 -0.64 -5.77 2.07 -0.96 -1.08 116.25 111.26 3k1f h VAL 23 Ca 0.26 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.48 3k1f h VAL 23 Cb 0.20 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 3k1f h VAL 23 CO -0.02 0.04 0.31 0.50 0.02 0.00 0.00 177.57 178.41 3k1f h LYS 24 N -1.05 0.54 -0.86 1.57 3.64 -1.21 -1.87 116.57 117.33 3k1f h LYS 24 Ca -0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 3k1f h LYS 24 Cb 0.65 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 3k1f h LYS 24 CO 0.13 0.36 0.43 -0.44 -2.27 0.00 0.00 179.45 177.65 3k1f h ASP 25 N 0.55 1.10 0.07 4.20 5.19 -1.23 -2.66 116.42 123.65 3k1f h ASP 25 Ca 0.31 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 3k1f h ASP 25 Cb 0.29 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3k1f h ASP 25 CO -0.24 0.91 -0.06 -0.09 -3.12 0.00 0.00 179.24 176.64 3k1f h ARG 26 N 1.21 0.00 0.00 3.56 2.43 -0.35 -3.46 114.38 117.77 3k1f h ARG 26 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3k1f h ARG 26 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3k1f h ARG 26 CO -0.04 0.06 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 3k1f n GLY 27 N -1.33 1.52 3.77 2.80 0.00 -1.00 -5.08 105.19 105.87 3k1f n GLY 27 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3k1f n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k1f s TYR 28 N -0.89 2.91 0.18 1.61 1.51 -1.11 -3.38 117.35 118.17 3k1f s TYR 28 Ca 0.00 1.34 -0.30 0.00 -1.01 0.00 0.00 57.07 57.10 3k1f s TYR 28 Cb 0.00 -3.78 -0.09 0.00 -0.11 0.00 0.00 41.96 37.98 3k1f s TYR 28 CO 0.00 -2.20 1.35 0.12 -1.11 0.00 0.00 175.55 173.71 3k1f s PHE 29 N -1.13 3.23 0.01 2.71 5.36 -0.12 -3.83 117.98 124.20 3k1f s PHE 29 Ca 0.50 1.12 -0.22 0.00 -0.96 0.00 0.00 56.93 57.36 3k1f s PHE 29 Cb -0.42 -3.65 0.05 0.00 -0.34 0.00 0.00 43.02 38.66 3k1f s PHE 29 CO 0.56 -2.12 0.50 -1.50 -1.46 0.00 0.00 175.22 171.20 3k1f s ILE 30 N 0.41 0.03 0.52 3.12 2.07 -1.26 -4.59 121.20 121.50 3k1f s ILE 30 Ca 0.59 -0.26 -0.14 0.00 -1.41 0.00 0.00 60.65 59.44 3k1f s ILE 30 Cb -0.37 -0.91 -0.06 0.00 0.13 0.00 0.00 42.46 41.24 3k1f s ILE 30 CO 0.36 -0.14 0.95 0.42 -1.91 0.00 0.00 174.94 174.62 3k1f s THR 31 N -1.93 4.64 0.39 4.00 -4.23 -1.26 -4.97 115.64 112.28 3k1f s THR 31 Ca -0.08 0.98 0.15 0.00 -1.18 0.00 0.00 61.69 61.55 3k1f s THR 31 Cb -0.01 -3.77 0.14 0.00 1.34 0.00 0.00 72.50 70.20 3k1f s THR 31 CO 0.02 -0.78 1.89 -0.61 -0.54 0.00 0.00 174.62 174.60 3k1f h GLN 32 N 0.65 0.00 -0.28 3.99 5.75 -2.02 -2.91 115.11 120.28 3k1f h GLN 32 Ca -0.46 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 57.89 3k1f h GLN 32 Cb 1.19 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 3k1f h GLN 32 CO 0.62 0.30 -0.39 0.93 -2.65 0.00 0.00 178.83 177.63 3k1f h GLU 33 N 0.00 0.76 0.00 1.69 3.07 -1.93 -3.02 114.58 115.15 3k1f h GLU 33 Ca -0.00 -0.44 -0.05 0.00 -0.50 0.00 0.00 59.36 58.37 3k1f h GLU 33 Cb 0.55 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3k1f h GLU 33 CO 0.04 1.07 -0.23 0.93 -1.40 0.00 0.00 179.01 179.42 3k1f h GLU 34 N 0.51 0.00 0.27 2.33 5.08 -1.91 -2.96 114.58 117.90 3k1f h GLU 34 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3k1f h GLU 34 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3k1f h GLU 34 CO 0.09 0.23 -0.13 0.28 -1.00 0.00 0.00 179.01 178.48 3k1f h VAL 35 N 0.00 0.00 0.00 3.13 2.07 -1.52 -3.25 116.25 116.67 3k1f h VAL 35 Ca -0.00 -0.13 -0.26 0.00 0.82 0.00 0.00 66.70 67.13 3k1f h VAL 35 Cb 0.44 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3k1f h VAL 35 CO 0.03 0.00 0.30 -0.62 0.02 0.00 0.00 177.57 177.30 3k1f n GLU 36 N -3.33 2.21 -2.51 1.57 1.02 -1.14 -4.82 120.64 113.63 3k1f n GLU 36 Ca -0.04 -1.16 -0.43 0.00 -0.02 0.00 0.00 57.16 55.50 3k1f n GLU 36 Cb 0.14 -2.11 -0.02 0.00 -0.02 0.00 0.00 31.44 29.43 3k1f n GLU 36 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3k1f s LEU 37 N 0.03 3.99 0.56 -4.62 2.96 -1.12 -4.93 118.68 115.54 3k1f s LEU 37 Ca 0.66 1.29 -0.19 0.00 -0.22 0.00 0.00 54.13 55.66 3k1f s LEU 37 Cb 0.29 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.39 3k1f s LEU 37 CO -0.01 -0.90 1.17 -2.84 -1.32 0.00 0.00 176.35 172.45 3k1f s PRO 38 N 3.76 3.22 0.10 0.98 0.02 -1.26 -4.83 135.00 136.98 3k1f s PRO 38 Ca 0.51 1.72 -0.19 0.00 0.02 0.00 0.00 61.00 63.06 3k1f s PRO 38 Cb -0.16 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 3k1f s PRO 38 CO 0.17 -0.98 1.33 1.25 -0.33 0.00 0.00 177.00 178.44 3k1f h LEU 39 N 1.13 -1.31 -0.37 -5.54 5.85 -1.99 0.13 115.31 113.22 3k1f h LEU 39 Ca -0.50 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 3k1f h LEU 39 Cb 1.28 0.58 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 3k1f h LEU 39 CO 0.56 -0.16 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.08 3k1f h GLU 40 N -0.03 0.00 0.00 1.25 4.39 -1.98 -1.39 114.58 116.82 3k1f h GLU 40 Ca 0.09 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 3k1f h GLU 40 Cb 0.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3k1f h GLU 40 CO -0.55 0.10 -0.55 -0.44 -1.16 0.00 0.00 179.01 176.41 3k1f h ASP 41 N 0.00 0.00 0.00 1.42 5.19 -1.79 -0.73 116.42 120.51 3k1f h ASP 41 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 3k1f h ASP 41 Cb 0.95 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.46 3k1f h ASP 41 CO 0.01 0.55 -0.28 0.15 -3.12 0.00 0.00 179.24 176.55 3k1f h PHE 42 N 0.00 0.28 -0.86 4.55 3.57 -0.48 -3.33 116.94 120.65 3k1f h PHE 42 Ca -0.01 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.39 3k1f h PHE 42 Cb 0.99 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 3k1f h PHE 42 CO 0.00 0.97 0.55 -0.22 -2.23 0.00 0.00 178.31 177.38 3k1f h LYS 43 N -0.50 0.99 -1.89 1.11 3.64 -1.08 -1.86 116.57 117.00 3k1f h LYS 43 Ca -0.04 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 3k1f h LYS 43 Cb 1.05 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 3k1f h LYS 43 CO 0.06 0.66 0.06 0.00 -2.27 0.00 0.00 179.45 177.95 3k1f n ALA 44 N -2.35 4.93 0.00 5.00 0.00 -0.30 -2.52 120.51 125.28 3k1f n ALA 44 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3k1f n ALA 44 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3k1f n ALA 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3k1f n LYS 45 N 1.37 0.08 -0.13 0.00 4.81 -0.79 -4.98 118.16 118.51 3k1f n LYS 45 Ca 0.20 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.65 3k1f n LYS 45 Cb 0.60 -0.02 0.02 0.00 0.02 0.00 0.00 35.03 35.66 3k1f n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3k1f n TYR 46 N -0.29 0.00 -4.39 5.64 4.02 -0.77 -4.99 117.16 116.38 3k1f n TYR 46 Ca 0.00 -0.22 -0.20 0.00 -0.01 0.00 0.00 57.90 57.47 3k1f n TYR 46 Cb 0.00 -0.04 -0.10 0.00 -0.02 0.00 0.00 39.34 39.18 3k1f n TYR 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3k1f n ASP 48 N -0.49 0.01 -0.17 0.00 5.68 -0.80 -4.86 116.55 115.92 3k1f n ASP 48 Ca -0.07 -1.01 -0.03 0.00 -0.50 0.00 0.00 54.79 53.18 3k1f n ASP 48 Cb 0.61 -0.01 0.03 0.00 -1.14 0.00 0.00 41.12 40.62 3k1f n ASP 48 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3k1f h SER 49 N -0.01 -0.73 -0.02 -1.12 4.64 -2.00 -2.55 113.55 111.75 3k1f h SER 49 Ca -0.00 0.18 -0.21 0.00 -0.47 0.00 0.00 61.79 61.29 3k1f h SER 49 Cb 0.01 0.42 0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3k1f h SER 49 CO 0.00 -0.24 -0.82 -0.03 -0.87 0.00 0.00 176.83 174.88 3k1f h MET 50 N -0.08 0.59 0.00 4.77 1.85 -2.04 -3.48 114.93 116.55 3k1f h MET 50 Ca 0.25 -0.61 0.00 0.00 -0.61 0.00 0.00 59.70 58.73 3k1f h MET 50 Cb 0.47 0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.66 3k1f h MET 50 CO -0.59 1.22 0.00 0.41 -0.40 0.00 0.00 176.91 177.55 3k1f n GLY 51 N 1.01 0.87 3.72 1.39 0.00 -0.96 -5.14 105.19 106.08 3k1f n GLY 51 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3k1f n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1f s ARG 52 N 0.00 4.50 -0.07 1.61 1.81 -1.26 -4.64 118.95 120.89 3k1f s ARG 52 Ca 0.00 1.72 -0.29 0.00 -1.72 0.00 0.00 55.73 55.43 3k1f s ARG 52 Cb 0.00 -3.33 -0.06 0.00 -0.45 0.00 0.00 34.95 31.10 3k1f s ARG 52 CO 0.00 -0.12 1.89 -1.25 -0.68 0.00 0.00 175.30 175.13 3k1f s PRO 53 N 0.54 3.91 -0.93 3.54 0.04 -1.26 -1.90 135.00 138.95 3k1f s PRO 53 Ca 0.55 2.26 -0.16 0.00 0.04 0.00 0.00 61.00 63.68 3k1f s PRO 53 Cb -0.29 -4.14 0.17 0.00 0.04 0.00 0.00 34.50 30.28 3k1f s PRO 53 CO 0.31 -1.19 1.03 -0.65 0.04 0.00 0.00 177.00 176.54 3k1f s GLN 54 N 4.74 3.67 0.11 4.56 -0.21 -0.11 -4.91 119.66 127.51 3k1f s GLN 54 Ca 0.84 -2.12 -0.15 0.00 0.02 0.00 0.00 55.36 53.96 3k1f s GLN 54 Cb -0.36 -4.76 -0.05 0.00 1.00 0.00 0.00 33.01 28.84 3k1f s GLN 54 CO 0.36 -1.59 1.50 0.00 -2.12 0.00 0.00 175.29 173.43 3k1f h ARG 55 N 8.27 0.71 0.00 2.91 3.08 -1.89 -3.23 114.38 124.23 3k1f h ARG 55 Ca 0.16 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3k1f h ARG 55 Cb 1.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3k1f h ARG 55 CO 1.00 0.90 0.02 1.63 -1.07 0.00 0.00 179.97 182.44 3k1f n LYS 56 N -4.35 0.00 0.01 0.04 4.76 -1.24 -0.96 118.16 116.43 3k1f n LYS 56 Ca -0.02 0.47 -0.15 0.00 -2.87 0.00 0.00 58.31 55.74 3k1f n LYS 56 Cb 0.38 -1.52 -0.14 0.00 -1.84 0.00 0.00 35.03 31.91 3k1f n LYS 56 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 3k1f h MET 57 N 0.00 0.15 -0.81 1.97 4.05 -1.85 -3.39 114.93 115.06 3k1f h MET 57 Ca 0.00 -0.26 0.11 0.00 -0.28 0.00 0.00 59.70 59.26 3k1f h MET 57 Cb 0.04 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 30.88 3k1f h MET 57 CO 0.00 0.91 0.53 0.52 0.23 0.00 0.00 176.91 179.10 3k1f h MET 58 N 0.04 0.69 -6.24 0.39 2.86 -1.18 -3.45 114.93 108.05 3k1f h MET 58 Ca -0.31 -0.04 -0.66 0.00 -2.06 0.00 0.00 59.70 56.63 3k1f h MET 58 Cb 2.02 -0.16 0.09 0.00 0.06 0.00 0.00 31.60 33.61 3k1f h MET 58 CO 0.11 0.46 -0.03 0.43 1.06 0.00 0.00 176.91 178.93 3k1f n SER 59 N -4.51 0.41 -3.81 1.22 7.64 -1.25 -4.92 113.62 108.40 3k1f n SER 59 Ca 0.14 1.15 -0.10 0.00 1.01 0.00 0.00 58.87 61.07 3k1f n SER 59 Cb 0.36 -1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 3k1f n SER 59 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3k1f s PHE 60 N -0.65 0.07 -0.05 1.43 -0.12 -0.35 -5.01 117.98 113.31 3k1f s PHE 60 Ca 0.68 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 57.15 3k1f s PHE 60 Cb -0.88 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 41.64 3k1f s PHE 60 CO 0.56 -0.76 -0.07 -1.14 -0.05 0.00 0.00 175.22 173.76 3k1f s GLN 61 N -3.89 2.69 0.05 1.99 0.74 -1.26 -0.93 119.66 119.05 3k1f s GLN 61 Ca 0.10 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.93 3k1f s GLN 61 Cb 0.02 -2.57 -0.03 0.00 1.10 0.00 0.00 33.01 31.53 3k1f s GLN 61 CO -0.05 0.65 -0.06 0.00 -0.55 0.00 0.00 175.29 175.28 3k1f s ALA 62 N -0.87 0.52 0.07 1.58 0.00 -0.19 -5.02 121.76 117.85 3k1f s ALA 62 Ca 0.14 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3k1f s ALA 62 Cb -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3k1f s ALA 62 CO 0.03 -0.14 -0.05 -0.80 0.00 0.00 0.00 175.76 174.80 3k1f s ASN 63 N -1.98 0.82 0.78 0.00 0.01 -1.26 -2.12 114.94 111.19 3k1f s ASN 63 Ca -0.06 -0.93 -0.14 0.00 -0.71 0.00 0.00 52.86 51.02 3k1f s ASN 63 Cb -0.05 0.13 0.06 0.00 0.41 0.00 0.00 41.25 41.80 3k1f s ASN 63 CO -0.02 -0.48 1.17 -2.65 -1.51 0.00 0.00 177.10 173.60 3k1f n PRO 64 N 0.24 0.34 -1.73 -0.60 -0.02 -1.26 -0.95 135.00 131.02 3k1f n PRO 64 Ca -0.14 0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.23 3k1f n PRO 64 Cb 0.60 -2.41 0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3k1f n PRO 64 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3k1f s THR 65 N -1.98 2.30 0.14 3.45 -4.23 -1.22 -4.60 115.64 109.50 3k1f s THR 65 Ca 0.74 0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 61.15 3k1f s THR 65 Cb -0.31 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3k1f s THR 65 CO 0.50 -0.13 1.67 -0.33 -0.54 0.00 0.00 174.62 175.79 3k1f h GLU 66 N -1.17 -0.10 -0.37 3.99 4.39 -1.96 -2.06 114.58 117.30 3k1f h GLU 66 Ca -0.48 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.31 3k1f h GLU 66 Cb 1.31 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.91 3k1f h GLU 66 CO 0.64 -0.07 -0.16 1.49 -1.16 0.00 0.00 179.01 179.75 3k1f h GLU 67 N -0.10 -0.08 -0.40 2.33 4.22 -1.97 -1.56 114.58 117.02 3k1f h GLU 67 Ca 0.12 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.68 3k1f h GLU 67 Cb 0.28 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3k1f h GLU 67 CO -0.28 -0.05 0.30 0.77 -2.18 0.00 0.00 179.01 177.57 3k1f h SER 68 N -0.09 0.00 0.33 1.04 0.02 -1.70 -0.41 113.55 112.75 3k1f h SER 68 Ca 0.19 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.98 3k1f h SER 68 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3k1f h SER 68 CO -0.43 0.00 -0.61 0.40 -1.14 0.00 0.00 176.83 175.05 3k1f h ILE 69 N 0.00 1.38 0.25 3.27 2.04 -0.93 -0.19 117.51 123.34 3k1f h ILE 69 Ca 0.19 -1.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 3k1f h ILE 69 Cb 0.79 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3k1f h ILE 69 CO -0.00 0.59 -0.12 -1.28 0.00 0.00 0.00 178.15 177.34 3k1f h SER 70 N 0.21 -0.28 0.32 1.72 0.87 -1.05 -3.09 113.55 112.25 3k1f h SER 70 Ca -0.01 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 3k1f h SER 70 Cb 1.13 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3k1f h SER 70 CO 0.10 0.17 -0.15 0.11 -0.53 0.00 0.00 176.83 176.52 3k1f h LYS 71 N -0.82 -0.42 -3.78 2.24 1.57 -1.43 -3.39 116.57 110.55 3k1f h LYS 71 Ca -0.03 0.03 -0.66 0.00 -1.87 0.00 0.00 60.65 58.11 3k1f h LYS 71 Cb 0.51 0.09 -0.39 0.00 0.08 0.00 0.00 32.23 32.53 3k1f h LYS 71 CO 0.06 -0.16 -0.57 -0.06 -0.57 0.00 0.00 179.45 178.14 3k1f s PHE 72 N -5.33 3.38 -1.24 -1.35 0.40 -0.08 -4.90 117.98 108.87 3k1f s PHE 72 Ca -0.15 -2.96 0.16 0.00 -0.60 0.00 0.00 56.93 53.38 3k1f s PHE 72 Cb 0.03 -2.97 0.73 0.00 0.51 0.00 0.00 43.02 41.32 3k1f s PHE 72 CO 0.60 -0.83 1.47 -2.30 0.70 0.00 0.00 175.22 174.86 3k1f n PRO 73 N 3.55 0.13 -0.08 0.24 -0.02 -1.17 -2.65 135.00 134.99 3k1f n PRO 73 Ca 0.05 0.18 0.06 0.00 -2.02 0.00 0.00 63.50 61.77 3k1f n PRO 73 Cb 0.36 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.44 3k1f n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k1f n ASP 74 N -1.38 2.41 -4.56 2.55 9.92 -1.26 -4.95 116.55 119.29 3k1f n ASP 74 Ca 0.06 -1.72 -0.25 0.00 -0.53 0.00 0.00 54.79 52.34 3k1f n ASP 74 Cb 0.15 -0.11 -0.05 0.00 -0.64 0.00 0.00 41.12 40.47 3k1f n ASP 74 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3k1f s MET 75 N -0.96 1.98 0.40 -1.24 1.75 -1.08 -4.92 119.30 115.22 3k1f s MET 75 Ca 0.18 0.73 -0.07 0.00 -1.25 0.00 0.00 55.69 55.28 3k1f s MET 75 Cb 0.11 -4.71 0.10 0.00 2.84 0.00 0.00 34.83 33.16 3k1f s MET 75 CO 0.15 -3.76 0.39 0.41 -0.65 0.00 0.00 175.02 171.56 3k1f n GLY 76 N 6.43 -2.26 3.76 2.11 0.00 -1.26 -4.76 105.19 109.21 3k1f n GLY 76 Ca 0.40 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 3k1f n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1f s SER 77 N -2.55 5.62 -0.13 1.61 0.01 -1.26 -4.68 113.70 112.32 3k1f s SER 77 Ca 0.25 2.53 0.02 0.00 1.31 0.00 0.00 55.95 60.06 3k1f s SER 77 Cb -0.02 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3k1f s SER 77 CO 0.19 -1.31 -0.20 -0.22 0.41 0.00 0.00 173.24 172.10 3k1f s LEU 78 N -3.39 2.26 -0.11 2.44 2.96 -0.90 -0.75 118.68 121.18 3k1f s LEU 78 Ca 0.69 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3k1f s LEU 78 Cb -0.34 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 44.89 3k1f s LEU 78 CO 0.40 0.12 -0.14 0.86 -1.32 0.00 0.00 176.35 176.28 3k1f s TRP 79 N 0.58 1.92 -0.19 5.38 -0.11 -0.56 -1.02 118.94 124.94 3k1f s TRP 79 Ca -0.12 -0.94 -0.04 0.00 1.22 0.00 0.00 56.10 56.23 3k1f s TRP 79 Cb -0.16 -1.41 -0.02 0.00 -1.50 0.00 0.00 33.47 30.37 3k1f s TRP 79 CO 0.04 -0.51 -0.03 0.08 -4.62 0.00 0.00 176.95 171.91 3k1f s VAL 80 N 1.16 3.71 -0.09 5.86 1.01 -0.10 -1.16 120.40 130.79 3k1f s VAL 80 Ca -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3k1f s VAL 80 Cb -0.14 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3k1f s VAL 80 CO -0.04 0.45 -0.11 -0.70 0.00 0.00 0.00 175.10 174.70 3k1f s GLU 81 N 0.92 2.92 -0.20 2.72 2.12 -0.24 -1.21 118.70 125.73 3k1f s GLU 81 Ca 0.00 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.71 3k1f s GLU 81 Cb -0.15 -2.56 0.04 0.00 0.26 0.00 0.00 34.13 31.73 3k1f s GLU 81 CO 0.01 0.49 -0.11 -0.06 -0.54 0.00 0.00 175.26 175.05 3k1f s PHE 82 N -0.36 2.52 -0.12 5.30 0.40 -1.26 -1.30 117.98 123.16 3k1f s PHE 82 Ca 0.04 -1.66 -0.11 0.00 -0.60 0.00 0.00 56.93 54.60 3k1f s PHE 82 Cb -0.12 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.67 3k1f s PHE 82 CO 0.02 -0.76 0.24 0.00 0.70 0.00 0.00 175.22 175.43 3k1f n ASP 84 N 2.71 0.29 -4.65 0.00 2.03 -1.26 -4.63 116.55 111.03 3k1f n ASP 84 Ca -0.15 0.32 -0.43 0.00 0.52 0.00 0.00 54.79 55.05 3k1f n ASP 84 Cb 0.53 -0.34 -0.02 0.00 -0.72 0.00 0.00 41.12 40.57 3k1f n ASP 84 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3k1f s GLU 85 N -3.03 4.09 0.19 -0.67 2.02 -1.26 -4.94 118.70 115.11 3k1f s GLU 85 Ca 0.12 1.51 -0.12 0.00 0.02 0.00 0.00 54.97 56.50 3k1f s GLU 85 Cb 0.17 -3.82 0.17 0.00 0.10 0.00 0.00 34.13 30.75 3k1f s GLU 85 CO 0.59 -0.89 1.80 -1.35 0.02 0.00 0.00 175.26 175.43 3k1f h PRO 86 N 8.72 0.58 -4.90 0.39 0.11 -1.94 -3.37 132.00 131.60 3k1f h PRO 86 Ca -0.27 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.14 3k1f h PRO 86 Cb 1.10 -0.13 -0.31 0.00 0.11 0.00 0.00 31.00 31.77 3k1f h PRO 86 CO 1.00 0.39 -0.73 0.45 -0.21 0.00 0.00 178.00 178.89 3k1f s SER 87 N -5.56 4.41 -0.33 -2.05 0.15 -1.26 -1.45 113.70 107.62 3k1f s SER 87 Ca -0.13 -0.81 -0.20 0.00 0.70 0.00 0.00 55.95 55.52 3k1f s SER 87 Cb 0.14 -1.70 -0.00 0.00 -1.71 0.00 0.00 66.02 62.75 3k1f s SER 87 CO 0.75 -0.13 0.61 -0.69 1.20 0.00 0.00 173.24 174.98 3k1f s VAL 88 N 1.36 4.94 0.80 4.45 1.01 -0.16 -5.01 120.40 127.79 3k1f s VAL 88 Ca 0.01 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 3k1f s VAL 88 Cb -0.16 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.29 3k1f s VAL 88 CO -0.03 -0.21 1.16 -0.83 0.00 0.00 0.00 175.10 175.18 3k1f s GLY 89 N 1.71 1.64 0.46 4.51 0.00 -1.26 -2.50 107.32 111.88 3k1f s GLY 89 Ca 0.24 -0.81 0.16 0.00 0.00 0.00 0.00 44.72 44.31 3k1f s GLY 89 CO 0.13 -0.30 2.01 -0.24 0.00 0.00 0.00 173.10 174.70 3k1f h VAL 90 N -1.02 0.88 -0.42 1.40 3.04 -1.90 -2.99 116.25 115.25 3k1f h VAL 90 Ca -0.45 -0.10 0.07 0.00 -1.01 0.00 0.00 66.70 65.21 3k1f h VAL 90 Cb 1.31 0.57 -0.06 0.00 -2.01 0.00 0.00 31.29 31.11 3k1f h VAL 90 CO 0.60 0.05 0.08 0.11 -1.01 0.00 0.00 177.57 177.41 3k1f h LYS 91 N 0.29 0.20 -0.06 4.17 1.79 -1.97 -2.82 116.57 118.17 3k1f h LYS 91 Ca 0.23 -0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.48 3k1f h LYS 91 Cb 0.55 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3k1f h LYS 91 CO -0.05 0.14 -0.82 1.15 -1.08 0.00 0.00 179.45 178.78 3k1f h THR 92 N 0.21 1.36 -0.79 -0.16 2.02 -1.92 -3.31 112.91 110.33 3k1f h THR 92 Ca 0.21 -2.21 0.07 0.00 0.77 0.00 0.00 66.41 65.24 3k1f h THR 92 Cb 0.25 2.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.80 3k1f h THR 92 CO -0.27 0.67 0.46 -0.03 0.37 0.00 0.00 175.52 176.72 3k1f h MET 93 N 0.31 0.80 -0.53 6.66 -1.53 -1.52 -1.34 114.93 117.78 3k1f h MET 93 Ca -0.06 -0.05 -0.07 0.00 -3.44 0.00 0.00 59.70 56.09 3k1f h MET 93 Cb 1.43 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 32.28 3k1f h MET 93 CO 0.15 0.53 0.06 -0.22 0.14 0.00 0.00 176.91 177.56 3k1f h LYS 94 N 0.82 0.90 -0.74 0.39 1.63 -1.61 -0.45 116.57 117.52 3k1f h LYS 94 Ca 0.36 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3k1f h LYS 94 Cb 0.24 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 3k1f h LYS 94 CO -0.20 0.89 0.45 1.15 -3.45 0.00 0.00 179.45 178.30 3k1f h THR 95 N 0.78 1.21 0.23 1.00 2.02 -1.52 -0.71 112.91 115.92 3k1f h THR 95 Ca 0.16 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3k1f h THR 95 Cb 0.45 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3k1f h THR 95 CO 0.02 0.21 -0.11 0.15 0.37 0.00 0.00 175.52 176.16 3k1f h PHE 96 N 1.01 -0.28 -0.44 3.16 3.57 -1.13 -1.14 116.94 121.69 3k1f h PHE 96 Ca 0.27 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.84 3k1f h PHE 96 Cb -0.05 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 3k1f h PHE 96 CO -0.01 0.05 0.03 0.28 -2.23 0.00 0.00 178.31 176.43 3k1f h VAL 97 N -0.64 0.70 -0.46 1.41 2.07 -0.98 -1.06 116.25 117.28 3k1f h VAL 97 Ca -0.03 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3k1f h VAL 97 Cb 0.46 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3k1f h VAL 97 CO 0.05 0.03 -0.01 0.40 0.02 0.00 0.00 177.57 178.06 3k1f h ILE 98 N 0.15 1.24 -0.34 4.57 5.03 -1.18 -1.58 117.51 125.40 3k1f h ILE 98 Ca 0.22 -1.00 -0.01 0.00 -0.12 0.00 0.00 64.86 63.95 3k1f h ILE 98 Cb 0.30 0.89 -0.02 0.00 -3.03 0.00 0.00 36.82 34.97 3k1f h ILE 98 CO -0.33 0.35 0.16 -0.74 -0.68 0.00 0.00 178.15 176.90 3k1f h HIS 99 N 0.72 0.50 -0.63 1.37 -0.00 -0.37 -0.69 115.15 116.05 3k1f h HIS 99 Ca 0.14 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.43 3k1f h HIS 99 Cb 0.45 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 3k1f h HIS 99 CO 0.02 0.44 0.18 0.82 -0.00 0.00 0.00 177.93 179.40 3k1f h ILE 100 N 0.41 1.24 0.59 6.26 2.04 -1.07 -1.19 117.51 125.80 3k1f h ILE 100 Ca 0.12 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3k1f h ILE 100 Cb 0.14 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3k1f h ILE 100 CO -0.01 0.33 -0.28 1.56 0.00 0.00 0.00 178.15 179.74 3k1f h GLN 101 N 0.94 -0.77 -0.38 2.37 4.20 -0.95 -2.00 115.11 118.53 3k1f h GLN 101 Ca 0.21 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 3k1f h GLN 101 Cb 0.29 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3k1f h GLN 101 CO -0.01 -0.51 -0.02 0.93 -0.67 0.00 0.00 178.83 178.56 3k1f h GLU 102 N -0.88 0.68 0.00 1.46 5.08 -1.17 -2.94 114.58 116.81 3k1f h GLU 102 Ca -0.08 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3k1f h GLU 102 Cb 0.61 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3k1f h GLU 102 CO 0.13 0.79 0.00 1.17 -1.00 0.00 0.00 179.01 180.10 3k1f n LYS 103 N -4.45 0.16 -2.71 2.33 0.00 -0.45 -4.99 118.16 108.04 3k1f n LYS 103 Ca -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 58.31 58.54 3k1f n LYS 103 Cb 0.29 -1.74 -0.02 0.00 0.00 0.00 0.00 35.03 33.57 3k1f n LYS 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3k1f n ASN 104 N -2.03 -5.55 -4.32 3.14 2.85 -0.78 -5.05 115.26 103.52 3k1f n ASN 104 Ca 0.04 1.37 -0.20 0.00 -0.11 0.00 0.00 54.58 55.68 3k1f n ASN 104 Cb 0.31 -5.10 -0.11 0.00 1.24 0.00 0.00 39.78 36.12 3k1f n ASN 104 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3k1f s PHE 105 N -1.28 1.70 -0.26 1.20 0.40 -1.01 -4.72 117.98 114.02 3k1f s PHE 105 Ca -0.09 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 3k1f s PHE 105 Cb 0.01 -0.83 -0.15 0.00 0.51 0.00 0.00 43.02 42.55 3k1f s PHE 105 CO 0.74 0.30 -0.20 0.94 0.70 0.00 0.00 175.22 177.70 3k1f n GLN 106 N 0.10 0.61 -4.39 0.44 -0.06 0.07 -4.61 117.38 109.53 3k1f n GLN 106 Ca -0.12 0.28 -0.34 0.00 -2.00 0.00 0.00 57.00 54.83 3k1f n GLN 106 Cb 0.58 -1.55 -0.14 0.00 -4.06 0.00 0.00 30.24 25.07 3k1f n GLN 106 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3k1f s THR 107 N -2.49 3.03 -0.31 1.69 2.01 -0.21 -0.74 115.64 118.62 3k1f s THR 107 Ca -0.36 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.03 3k1f s THR 107 Cb 0.12 -2.31 0.09 0.00 0.01 0.00 0.00 72.50 70.40 3k1f s THR 107 CO 0.55 0.49 0.02 -0.83 -0.69 0.00 0.00 174.62 174.16 3k1f s GLY 108 N 0.86 1.64 -0.04 4.40 0.00 -0.09 -1.49 107.32 112.60 3k1f s GLY 108 Ca -0.03 -2.09 -0.21 0.00 0.00 0.00 0.00 44.72 42.38 3k1f s GLY 108 CO 0.00 1.01 0.62 -0.42 0.00 0.00 0.00 173.10 174.32 3k1f s ILE 109 N 1.13 4.99 -0.16 0.90 1.01 -0.31 -0.87 121.20 127.89 3k1f s ILE 109 Ca 0.05 1.29 0.01 0.00 0.00 0.00 0.00 60.65 62.01 3k1f s ILE 109 Cb -0.19 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3k1f s ILE 109 CO -0.10 0.34 -0.19 0.12 0.00 0.00 0.00 174.94 175.11 3k1f s PHE 110 N 0.28 2.74 -0.43 3.97 2.19 0.09 -1.08 117.98 125.73 3k1f s PHE 110 Ca 0.33 -1.37 -0.12 0.00 0.33 0.00 0.00 56.93 56.09 3k1f s PHE 110 Cb -0.18 -1.88 0.06 0.00 -1.31 0.00 0.00 43.02 39.72 3k1f s PHE 110 CO 0.17 -0.65 0.31 0.08 1.83 0.00 0.00 175.22 176.95 3k1f s VAL 111 N 1.01 4.77 -0.18 3.12 1.01 -0.42 -1.80 120.40 127.91 3k1f s VAL 111 Ca -0.02 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 3k1f s VAL 111 Cb -0.15 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3k1f s VAL 111 CO -0.05 -0.47 0.20 -0.72 0.00 0.00 0.00 175.10 174.06 3k1f s TYR 112 N 1.56 3.44 0.11 5.22 -0.85 -1.05 -3.39 117.35 122.39 3k1f s TYR 112 Ca 0.03 0.45 -0.21 0.00 -0.52 0.00 0.00 57.07 56.83 3k1f s TYR 112 Cb -0.22 -2.22 -0.10 0.00 0.38 0.00 0.00 41.96 39.80 3k1f s TYR 112 CO 0.05 0.30 1.75 1.96 -1.52 0.00 0.00 175.55 178.09 3k1f h GLN 113 N 6.57 0.18 0.00 -3.49 4.20 -1.76 0.14 115.11 120.95 3k1f h GLN 113 Ca -0.42 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3k1f h GLN 113 Cb 1.16 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3k1f h GLN 113 CO 0.75 0.13 -0.16 0.09 -0.67 0.00 0.00 178.83 178.97 3k1f n ASN 114 N -4.99 0.04 -3.44 1.46 5.03 -0.52 -4.38 115.26 108.46 3k1f n ASN 114 Ca -0.05 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.29 3k1f n ASN 114 Cb 0.03 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.77 3k1f n ASN 114 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3k1f s ASN 115 N -4.89 -0.55 -0.03 6.41 4.22 -1.18 -5.03 114.94 113.90 3k1f s ASN 115 Ca 0.00 -0.02 0.06 0.00 -2.14 0.00 0.00 52.86 50.75 3k1f s ASN 115 Cb 0.00 0.59 -0.01 0.00 1.28 0.00 0.00 41.25 43.11 3k1f s ASN 115 CO 0.00 -0.97 -0.20 -0.63 -2.04 0.00 0.00 177.10 173.26 3k1f s ILE 116 N -3.76 1.64 0.45 0.54 1.01 -1.26 -0.99 121.20 118.83 3k1f s ILE 116 Ca 0.01 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 3k1f s ILE 116 Cb -0.01 -1.38 -0.07 0.00 0.01 0.00 0.00 42.46 41.00 3k1f s ILE 116 CO -0.13 0.47 1.24 0.42 0.00 0.00 0.00 174.94 176.94 3k1f s THR 117 N -0.26 2.79 -0.18 2.92 -4.23 -1.04 -4.90 115.64 110.73 3k1f s THR 117 Ca 0.02 0.64 0.27 0.00 -1.18 0.00 0.00 61.69 61.44 3k1f s THR 117 Cb -0.10 -3.34 0.29 0.00 1.34 0.00 0.00 72.50 70.69 3k1f s THR 117 CO 0.01 0.03 1.83 -0.65 -0.54 0.00 0.00 174.62 175.30 3k1f h PRO 118 N 2.23 0.00 -0.06 3.99 0.11 -1.99 -1.88 132.00 134.39 3k1f h PRO 118 Ca -0.50 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 3k1f h PRO 118 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3k1f h PRO 118 CO 0.61 0.00 -0.51 0.77 -0.21 0.00 0.00 178.00 178.66 3k1f h SER 119 N 0.00 0.18 0.00 -2.05 0.02 -1.99 -3.27 113.55 106.44 3k1f h SER 119 Ca 0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3k1f h SER 119 Cb 0.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 3k1f h SER 119 CO 0.00 0.66 -0.18 0.00 -1.14 0.00 0.00 176.83 176.17 3k1f h ALA 120 N 1.35 0.03 0.00 3.77 0.00 -1.69 -3.38 119.26 119.34 3k1f h ALA 120 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3k1f h ALA 120 Cb 0.94 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3k1f h ALA 120 CO 0.07 0.13 0.47 0.52 0.00 0.00 0.00 179.25 180.44 3k1f h MET 121 N -1.00 0.00 -0.04 0.00 2.86 -1.56 0.89 114.93 116.08 3k1f h MET 121 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3k1f h MET 121 Cb 0.55 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3k1f h MET 121 CO -0.02 0.00 -0.05 0.87 1.06 0.00 0.00 176.91 178.77 3k1f h LYS 122 N 0.00 0.05 -0.00 1.72 1.79 -1.73 -1.50 116.57 116.90 3k1f h LYS 122 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3k1f h LYS 122 Cb 0.94 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3k1f h LYS 122 CO 0.00 0.10 -0.02 1.28 -1.08 0.00 0.00 179.45 179.74 3k1f n LEU 123 N -4.45 0.04 0.28 2.94 4.77 0.31 -4.39 117.00 116.50 3k1f n LEU 123 Ca -0.02 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 3k1f n LEU 123 Cb 0.15 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 3k1f n LEU 123 CO 0.35 0.01 0.52 0.58 -1.33 0.00 0.00 177.39 177.52 3k1f h VAL 124 N 0.04 0.00 -0.07 4.08 2.07 -1.43 -3.24 116.25 117.70 3k1f h VAL 124 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3k1f h VAL 124 Cb 0.34 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3k1f h VAL 124 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 3k1f n PRO 125 N -4.03 1.51 0.10 1.57 -0.05 -1.26 -4.32 135.00 128.52 3k1f n PRO 125 Ca -0.09 -0.75 0.12 0.00 -0.05 0.00 0.00 63.50 62.73 3k1f n PRO 125 Cb 0.29 -1.42 0.61 0.00 -0.05 0.00 0.00 33.50 32.93 3k1f n PRO 125 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3k1f h SER 126 N 1.66 0.10 -3.37 3.54 4.64 -1.76 -3.40 113.55 114.96 3k1f h SER 126 Ca 0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.60 3k1f h SER 126 Cb 0.36 -0.02 -0.27 0.00 -0.31 0.00 0.00 62.40 62.16 3k1f h SER 126 CO 0.00 0.07 -0.41 0.27 -0.87 0.00 0.00 176.83 175.89 3k1f s ILE 127 N -5.14 4.52 0.39 0.95 -4.36 -1.26 -5.11 121.20 111.19 3k1f s ILE 127 Ca -0.06 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3k1f s ILE 127 Cb 0.18 -3.79 -0.02 0.00 1.25 0.00 0.00 42.46 40.08 3k1f s ILE 127 CO 0.71 -0.58 0.61 -2.16 0.24 0.00 0.00 174.94 173.75 3k1f s PRO 128 N 1.48 3.35 0.32 0.37 0.04 -1.26 -3.65 135.00 135.64 3k1f s PRO 128 Ca 0.04 -0.35 0.26 0.00 0.04 0.00 0.00 61.00 60.98 3k1f s PRO 128 Cb -0.24 -2.61 0.74 0.00 0.04 0.00 0.00 34.50 32.43 3k1f s PRO 128 CO 0.03 -0.02 1.74 -1.00 0.04 0.00 0.00 177.00 177.79 3k1f h PRO 129 N 0.60 0.00 -6.62 0.56 0.13 -1.97 -3.51 132.00 121.19 3k1f h PRO 129 Ca -0.48 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 3k1f h PRO 129 Cb 1.23 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.52 3k1f h PRO 129 CO 0.60 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.22 3k1f n ALA 130 N -1.91 -0.55 -2.60 -0.56 0.00 -1.24 -5.04 120.51 108.61 3k1f n ALA 130 Ca 0.04 0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.19 3k1f n ALA 130 Cb 0.42 -1.95 -0.14 0.00 0.00 0.00 0.00 19.45 17.78 3k1f n ALA 130 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k1f s THR 131 N -1.57 2.82 -0.32 0.00 -4.23 0.09 -4.81 115.64 107.61 3k1f s THR 131 Ca 0.70 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 60.37 3k1f s THR 131 Cb -0.46 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 71.33 3k1f s THR 131 CO 0.52 0.58 0.05 -0.63 -0.54 0.00 0.00 174.62 174.60 3k1f s ILE 132 N -0.45 3.30 -0.01 2.99 1.01 -1.26 -0.92 121.20 125.86 3k1f s ILE 132 Ca 0.05 -1.32 -0.16 0.00 0.00 0.00 0.00 60.65 59.23 3k1f s ILE 132 Cb -0.12 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 3k1f s ILE 132 CO 0.02 -0.16 0.43 -1.61 0.00 0.00 0.00 174.94 173.61 3k1f s GLU 133 N 1.30 4.00 -0.17 2.79 2.02 -0.05 -4.89 118.70 123.71 3k1f s GLU 133 Ca -0.03 0.44 0.01 0.00 0.02 0.00 0.00 54.97 55.40 3k1f s GLU 133 Cb -0.20 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 30.80 3k1f s GLU 133 CO 0.00 0.61 -0.16 -0.08 0.02 0.00 0.00 175.26 175.65 3k1f s THR 134 N -0.83 1.77 -0.02 3.63 -1.32 -1.26 -0.73 115.64 116.89 3k1f s THR 134 Ca 0.24 -0.79 0.03 0.00 -1.21 0.00 0.00 61.69 59.96 3k1f s THR 134 Cb -0.17 -1.65 -0.01 0.00 -1.51 0.00 0.00 72.50 69.17 3k1f s THR 134 CO 0.13 0.46 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.53 3k1f s PHE 135 N 1.40 1.08 0.48 9.09 2.99 -0.74 -5.00 117.98 127.28 3k1f s PHE 135 Ca 0.04 -0.23 -0.22 0.00 0.00 0.00 0.00 56.93 56.53 3k1f s PHE 135 Cb -0.13 -0.72 -0.07 0.00 0.00 0.00 0.00 43.02 42.10 3k1f s PHE 135 CO -0.11 -0.05 1.13 1.21 -0.00 0.00 0.00 175.22 177.40 3k1f s ASN 136 N -0.14 6.09 0.10 1.36 3.84 -1.26 -2.53 114.94 122.40 3k1f s ASN 136 Ca 0.02 2.21 -0.18 0.00 0.21 0.00 0.00 52.86 55.12 3k1f s ASN 136 Cb -0.06 -2.59 -0.07 0.00 -0.55 0.00 0.00 41.25 37.98 3k1f s ASN 136 CO -0.00 -0.97 1.59 -0.08 -2.79 0.00 0.00 177.10 174.86 3k1f h GLU 137 N 1.78 0.43 -0.38 0.43 4.81 -0.91 -2.70 114.58 118.03 3k1f h GLU 137 Ca -0.49 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 58.54 3k1f h GLU 137 Cb 1.25 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 3k1f h GLU 137 CO 0.59 0.51 -0.14 0.00 -0.73 0.00 0.00 179.01 179.25 3k1f h ALA 138 N 0.89 1.06 0.00 2.92 0.00 -1.82 -2.78 119.26 119.53 3k1f h ALA 138 Ca 0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3k1f h ALA 138 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3k1f h ALA 138 CO 0.00 0.57 -0.26 0.00 0.00 0.00 0.00 179.25 179.56 3k1f h ALA 139 N 1.24 1.03 0.03 0.00 0.00 -1.95 -3.22 119.26 116.39 3k1f h ALA 139 Ca 0.10 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 3k1f h ALA 139 Cb 0.59 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.35 3k1f h ALA 139 CO 0.04 0.33 -0.80 -0.07 0.00 0.00 0.00 179.25 178.75 3k1f h LEU 140 N 0.00 0.64 0.00 0.00 3.38 -1.20 -3.39 115.31 114.74 3k1f h LEU 140 Ca -0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3k1f h LEU 140 Cb 0.77 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3k1f h LEU 140 CO 0.03 1.36 0.00 0.52 0.09 0.00 0.00 178.44 180.44 3k1f n VAL 141 N -4.08 0.00 -4.51 1.22 0.31 -1.15 -3.91 118.33 106.21 3k1f n VAL 141 Ca -0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.88 3k1f n VAL 141 Cb 0.77 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.59 3k1f n VAL 141 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3k1f s VAL 142 N -4.93 3.82 0.02 2.52 1.01 -1.26 -4.02 120.40 117.56 3k1f s VAL 142 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3k1f s VAL 142 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3k1f s VAL 142 CO 0.00 0.55 0.98 0.21 0.00 0.00 0.00 175.10 176.85 3k1f s ASN 143 N -0.30 7.38 -0.06 3.32 3.84 -1.25 -5.00 114.94 122.87 3k1f s ASN 143 Ca 0.05 1.70 -0.21 0.00 0.21 0.00 0.00 52.86 54.60 3k1f s ASN 143 Cb -0.13 -2.57 -0.17 0.00 -0.55 0.00 0.00 41.25 37.84 3k1f s ASN 143 CO 0.02 -0.23 0.86 0.16 -2.79 0.00 0.00 177.10 175.12 3k1f h ILE 144 N 4.64 0.96 -0.80 -5.21 -0.00 -1.93 -3.33 117.51 111.86 3k1f h ILE 144 Ca -0.41 -1.26 0.23 0.00 -0.00 0.00 0.00 64.86 63.42 3k1f h ILE 144 Cb 1.22 1.65 -0.03 0.00 -0.00 0.00 0.00 36.82 39.65 3k1f h ILE 144 CO 0.75 0.26 0.60 0.71 -0.00 0.00 0.00 178.15 180.46 3k1f h THR 145 N -0.85 0.55 0.00 0.16 1.35 -1.94 -0.77 112.91 111.41 3k1f h THR 145 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3k1f h THR 145 Cb 0.55 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3k1f h THR 145 CO 0.03 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.71 3k1f n HIS 146 N -4.21 0.78 -2.39 4.73 8.25 -1.25 -4.75 115.22 116.39 3k1f n HIS 146 Ca 0.16 0.34 -0.38 0.00 -0.26 0.00 0.00 57.72 57.58 3k1f n HIS 146 Cb 0.89 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 3k1f n HIS 146 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3k1f s HIS 147 N -3.39 3.22 0.00 4.41 5.04 -0.30 -5.00 115.29 119.27 3k1f s HIS 147 Ca 0.02 1.60 0.00 0.00 -1.54 0.00 0.00 55.06 55.14 3k1f s HIS 147 Cb 0.08 -3.31 0.00 0.00 0.04 0.00 0.00 32.58 29.39 3k1f s HIS 147 CO 0.32 -1.00 0.57 -1.91 -2.34 0.00 0.00 174.74 170.38 3k1f n GLU 148 N 0.29 0.00 0.00 2.88 2.13 -1.26 -1.60 120.64 123.07 3k1f n GLU 148 Ca 0.03 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3k1f n GLU 148 Cb 0.47 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 31.26 3k1f n GLU 148 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 3k1f n LEU 149 N -1.98 0.63 -4.41 4.31 -0.00 -1.26 -4.69 117.00 109.60 3k1f n LEU 149 Ca 0.00 -0.32 -0.43 0.00 -0.00 0.00 0.00 56.01 55.27 3k1f n LEU 149 Cb 0.00 -0.32 -0.10 0.00 -0.00 0.00 0.00 43.42 43.01 3k1f n LEU 149 CO 0.00 0.16 -0.06 -0.69 -0.00 0.00 0.00 177.39 176.80 3k1f s VAL 150 N -1.24 5.06 0.84 1.47 1.01 -0.63 -5.09 120.40 121.83 3k1f s VAL 150 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 3k1f s VAL 150 Cb 0.00 -3.90 0.10 0.00 0.00 0.00 0.00 36.38 32.58 3k1f s VAL 150 CO 0.00 -0.39 1.19 -2.16 0.00 0.00 0.00 175.10 173.74 3k1f s PRO 151 N 1.63 1.71 -0.39 2.72 0.04 -1.26 -4.85 135.00 134.60 3k1f s PRO 151 Ca 0.04 0.07 -0.26 0.00 0.04 0.00 0.00 61.00 60.89 3k1f s PRO 151 Cb -0.21 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3k1f s PRO 151 CO 0.08 -1.76 0.93 0.21 0.04 0.00 0.00 177.00 176.49 3k1f s LYS 152 N -5.58 3.77 -0.20 4.56 2.47 -1.21 -4.96 119.74 118.58 3k1f s LYS 152 Ca 0.64 0.48 -0.20 0.00 -1.56 0.00 0.00 55.97 55.32 3k1f s LYS 152 Cb -0.11 -3.83 -0.03 0.00 -1.46 0.00 0.00 37.83 32.40 3k1f s LYS 152 CO 0.50 -1.02 0.59 -1.01 0.16 0.00 0.00 175.35 174.57 3k1f s HIS 153 N 3.55 3.38 -0.17 4.03 3.76 -1.26 -1.59 115.29 126.98 3k1f s HIS 153 Ca 0.38 0.87 0.01 0.00 -0.15 0.00 0.00 55.06 56.17 3k1f s HIS 153 Cb -0.11 -2.75 0.02 0.00 1.11 0.00 0.00 32.58 30.85 3k1f s HIS 153 CO 0.21 -0.14 -0.19 0.42 -0.85 0.00 0.00 174.74 174.19 3k1f s ILE 154 N 1.79 1.96 0.41 0.60 1.09 -1.22 -4.93 121.20 120.89 3k1f s ILE 154 Ca 0.27 -0.88 -0.27 0.00 -1.10 0.00 0.00 60.65 58.67 3k1f s ILE 154 Cb -0.16 -1.78 -0.10 0.00 -1.06 0.00 0.00 42.46 39.36 3k1f s ILE 154 CO 0.10 0.52 1.45 -0.60 -0.10 0.00 0.00 174.94 176.31 3k1f s ARG 155 N 1.33 3.94 0.13 2.79 3.52 -1.26 -1.49 118.95 127.91 3k1f s ARG 155 Ca 0.05 2.48 0.08 0.00 -0.13 0.00 0.00 55.73 58.21 3k1f s ARG 155 Cb -0.13 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 3k1f s ARG 155 CO -0.13 -0.63 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.09 3k1f s LEU 156 N -2.35 2.86 0.72 -0.88 1.43 -0.40 -4.90 118.68 115.16 3k1f s LEU 156 Ca 0.56 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 3k1f s LEU 156 Cb -0.45 -1.65 0.05 0.00 0.03 0.00 0.00 46.19 44.17 3k1f s LEU 156 CO 0.59 0.16 1.06 -0.94 0.23 0.00 0.00 176.35 177.45 3k1f s SER 157 N -2.34 4.93 0.25 2.29 1.04 -1.26 -4.62 113.70 114.00 3k1f s SER 157 Ca 0.21 0.68 -0.06 0.00 0.48 0.00 0.00 55.95 57.26 3k1f s SER 157 Cb -0.10 -1.36 0.26 0.00 0.10 0.00 0.00 66.02 64.92 3k1f s SER 157 CO 0.12 -1.57 1.93 0.77 0.98 0.00 0.00 173.24 175.47 3k1f h SER 158 N -0.67 1.16 -0.26 7.02 4.64 -1.99 -0.33 113.55 123.12 3k1f h SER 158 Ca -0.45 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 3k1f h SER 158 Cb 1.30 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3k1f h SER 158 CO 0.62 0.84 -0.42 0.44 -0.87 0.00 0.00 176.83 177.44 3k1f h ASP 159 N 1.36 0.88 -0.50 4.97 3.32 -1.97 -0.63 116.42 123.85 3k1f h ASP 159 Ca 0.37 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3k1f h ASP 159 Cb -0.15 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.13 3k1f h ASP 159 CO -0.08 1.18 0.14 -0.33 -1.72 0.00 0.00 179.24 178.43 3k1f h GLU 160 N 0.66 0.79 -0.06 3.56 5.08 -1.84 -0.83 114.58 121.94 3k1f h GLU 160 Ca 0.05 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3k1f h GLU 160 Cb 1.00 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3k1f h GLU 160 CO 0.10 0.75 0.01 -0.22 -1.00 0.00 0.00 179.01 178.65 3k1f h LYS 161 N 0.69 0.10 -0.87 2.33 3.64 -1.00 -0.74 116.57 120.72 3k1f h LYS 161 Ca 0.16 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3k1f h LYS 161 Cb 0.30 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 3k1f h LYS 161 CO -0.00 0.32 0.57 0.00 -2.27 0.00 0.00 179.45 178.06 3k1f h ARG 162 N -0.13 1.09 -0.36 1.90 3.08 -1.05 -1.74 114.38 117.18 3k1f h ARG 162 Ca 0.02 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 3k1f h ARG 162 Cb 0.26 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3k1f h ARG 162 CO 0.00 0.72 -0.37 1.49 -1.07 0.00 0.00 179.97 180.74 3k1f h GLU 163 N 1.13 0.85 -0.07 0.04 4.57 -1.08 -0.85 114.58 119.17 3k1f h GLU 163 Ca 0.33 -0.43 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3k1f h GLU 163 Cb -0.05 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3k1f h GLU 163 CO -0.10 1.07 -0.04 1.25 -1.18 0.00 0.00 179.01 180.01 3k1f h LEU 164 N 0.70 -0.13 -0.88 1.64 5.85 -0.70 -0.46 115.31 121.32 3k1f h LEU 164 Ca 0.06 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 3k1f h LEU 164 Cb 0.94 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3k1f h LEU 164 CO 0.09 -0.06 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.52 3k1f h LEU 165 N -0.04 0.06 -0.33 2.25 3.38 -1.34 -2.83 115.31 116.46 3k1f h LEU 165 Ca 0.04 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3k1f h LEU 165 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3k1f h LEU 165 CO -0.09 0.59 -0.12 0.50 0.09 0.00 0.00 178.44 179.41 3k1f h LYS 166 N 0.05 0.66 0.04 1.13 3.64 -0.86 -1.70 116.57 119.53 3k1f h LYS 166 Ca -0.00 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 3k1f h LYS 166 Cb 0.97 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3k1f h LYS 166 CO 0.07 0.86 -0.34 0.00 -2.27 0.00 0.00 179.45 177.77 3k1f h ARG 167 N 0.44 0.16 0.00 1.90 2.47 -1.12 -3.32 114.38 114.90 3k1f h ARG 167 Ca 0.08 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3k1f h ARG 167 Cb 0.64 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 3k1f h ARG 167 CO 0.04 1.04 0.00 1.88 0.56 0.00 0.00 179.97 183.49 3k1f h TYR 168 N -0.60 0.00 -5.04 3.04 -1.99 -1.64 -3.48 116.97 107.26 3k1f h TYR 168 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 3k1f h TYR 168 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.92 3k1f h TYR 168 CO 0.21 0.00 -0.02 0.54 -0.00 0.00 0.00 178.16 178.90 3k1f n ARG 169 N -2.74 -1.18 -4.35 4.88 1.74 -0.70 -5.08 116.66 109.23 3k1f n ARG 169 Ca 0.03 1.38 -0.18 0.00 -0.77 0.00 0.00 57.85 58.32 3k1f n ARG 169 Cb 0.40 -5.18 -0.10 0.00 -1.02 0.00 0.00 32.46 26.56 3k1f n ARG 169 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k1f s LEU 170 N -3.67 1.73 0.26 0.55 1.43 -0.83 -5.06 118.68 113.10 3k1f s LEU 170 Ca 0.01 -1.42 0.06 0.00 -1.03 0.00 0.00 54.13 51.75 3k1f s LEU 170 Cb -0.00 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.17 3k1f s LEU 170 CO 0.65 -0.74 0.34 -0.54 0.23 0.00 0.00 176.35 176.29 3k1f s LYS 171 N -3.97 3.25 0.26 1.70 -0.14 -1.26 -4.86 119.74 114.71 3k1f s LYS 171 Ca 0.37 -0.88 -0.04 0.00 -1.36 0.00 0.00 55.97 54.05 3k1f s LYS 171 Cb 0.07 -2.79 0.32 0.00 -1.68 0.00 0.00 37.83 33.75 3k1f s LYS 171 CO 0.14 0.36 1.90 0.93 -0.76 0.00 0.00 175.35 177.92 3k1f h GLU 172 N 1.20 1.17 -0.60 1.68 5.08 -2.00 -2.10 114.58 119.01 3k1f h GLU 172 Ca -0.50 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 57.75 3k1f h GLU 172 Cb 1.24 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3k1f h GLU 172 CO 0.60 0.83 0.40 0.66 -1.00 0.00 0.00 179.01 180.49 3k1f h SER 173 N 1.19 0.70 0.00 1.42 4.64 -2.01 -1.98 113.55 117.50 3k1f h SER 173 Ca 0.31 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3k1f h SER 173 Cb -0.03 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3k1f h SER 173 CO -0.06 0.51 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 3k1f n GLN 174 N -4.44 0.29 -3.95 4.77 6.02 -0.79 -4.77 117.38 114.50 3k1f n GLN 174 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 3k1f n GLN 174 Cb 0.04 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 3k1f n GLN 174 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3k1f s LEU 175 N -1.82 4.25 0.55 1.08 1.43 -0.75 -4.89 118.68 118.53 3k1f s LEU 175 Ca 0.11 0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.27 3k1f s LEU 175 Cb 0.05 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 3k1f s LEU 175 CO 0.09 0.22 1.22 -2.84 0.23 0.00 0.00 176.35 175.27 3k1f s PRO 176 N -2.17 3.21 0.25 1.29 0.02 -1.26 -4.83 135.00 131.50 3k1f s PRO 176 Ca 0.30 1.87 0.10 0.00 0.02 0.00 0.00 61.00 63.29 3k1f s PRO 176 Cb -0.13 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 3k1f s PRO 176 CO 0.22 -1.03 -0.07 1.03 -0.33 0.00 0.00 177.00 176.82 3k1f s ARG 177 N -3.11 2.08 -0.07 5.54 0.52 -1.26 -1.31 118.95 121.35 3k1f s ARG 177 Ca 0.73 -1.46 0.04 0.00 -0.52 0.00 0.00 55.73 54.52 3k1f s ARG 177 Cb -0.31 -2.07 -0.00 0.00 0.52 0.00 0.00 34.95 33.09 3k1f s ARG 177 CO 0.35 0.37 -0.20 -1.50 0.02 0.00 0.00 175.30 174.34 3k1f s ILE 178 N -2.20 1.74 0.49 1.52 2.07 -0.08 -4.77 121.20 119.97 3k1f s ILE 178 Ca 0.29 -0.86 -0.23 0.00 -1.41 0.00 0.00 60.65 58.44 3k1f s ILE 178 Cb -0.07 -1.50 -0.07 0.00 0.13 0.00 0.00 42.46 40.96 3k1f s ILE 178 CO 0.17 0.49 1.30 -1.58 -1.91 0.00 0.00 174.94 173.41 3k1f s GLN 179 N 0.18 3.51 0.26 3.50 -0.44 -1.26 -1.24 119.66 124.17 3k1f s GLN 179 Ca -0.10 2.11 -0.05 0.00 -2.50 0.00 0.00 55.36 54.82 3k1f s GLN 179 Cb -0.15 -2.43 0.29 0.00 -1.64 0.00 0.00 33.01 29.09 3k1f s GLN 179 CO 0.05 -0.85 1.91 -0.09 0.50 0.00 0.00 175.29 176.81 3k1f h ARG 180 N 1.92 1.22 -0.59 1.67 2.43 -1.94 -2.58 114.38 116.52 3k1f h ARG 180 Ca -0.50 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3k1f h ARG 180 Cb 1.27 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3k1f h ARG 180 CO 0.59 0.85 0.00 0.00 -1.51 0.00 0.00 179.97 179.90 3k1f n ALA 181 N -2.40 2.84 -1.74 2.80 0.00 -1.26 -4.37 120.51 116.38 3k1f n ALA 181 Ca 0.10 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 3k1f n ALA 181 Cb 0.06 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 3k1f n ALA 181 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3k1f n ASP 182 N 0.69 3.34 -0.25 0.00 -0.08 -0.97 -4.74 116.55 114.54 3k1f n ASP 182 Ca 0.17 1.21 0.05 0.00 -1.51 0.00 0.00 54.79 54.71 3k1f n ASP 182 Cb 0.60 -1.56 0.16 0.00 2.34 0.00 0.00 41.12 42.66 3k1f n ASP 182 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3k1f h PRO 183 N 2.92 0.15 -0.04 -0.67 0.11 -1.93 0.99 132.00 133.53 3k1f h PRO 183 Ca -0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3k1f h PRO 183 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3k1f h PRO 183 CO 0.65 0.10 -0.51 0.28 -0.21 0.00 0.00 178.00 178.31 3k1f h VAL 184 N 0.16 1.36 -0.37 3.15 2.07 -1.97 -1.38 116.25 119.27 3k1f h VAL 184 Ca 0.40 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.04 3k1f h VAL 184 Cb 0.70 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3k1f h VAL 184 CO -0.59 0.51 -0.29 0.00 0.02 0.00 0.00 177.57 177.22 3k1f h ALA 185 N 1.41 0.80 0.04 1.67 0.00 -1.18 -0.73 119.26 121.27 3k1f h ALA 185 Ca -0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 3k1f h ALA 185 Cb 0.93 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.59 3k1f h ALA 185 CO 0.07 0.65 -0.70 -0.07 0.00 0.00 0.00 179.25 179.20 3k1f h LEU 186 N 0.67 0.55 -0.49 0.00 3.38 -1.07 0.38 115.31 118.72 3k1f h LEU 186 Ca 0.08 -0.81 0.09 0.00 0.09 0.00 0.00 57.88 57.34 3k1f h LEU 186 Cb 0.82 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 3k1f h LEU 186 CO 0.07 1.29 0.01 0.22 0.09 0.00 0.00 178.44 180.12 3k1f h TYR 187 N -0.13 -0.01 0.00 1.13 3.20 -1.22 -0.41 116.97 119.52 3k1f h TYR 187 Ca -0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3k1f h TYR 187 Cb 1.44 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.79 3k1f h TYR 187 CO 0.16 -0.10 0.00 -0.07 -1.64 0.00 0.00 178.16 176.50 3k1f h LEU 188 N 0.13 0.00 -1.36 2.82 3.38 -1.20 -3.47 115.31 115.60 3k1f h LEU 188 Ca 0.25 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 3k1f h LEU 188 Cb 0.37 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.24 3k1f h LEU 188 CO -0.40 0.00 -0.57 0.61 0.09 0.00 0.00 178.44 178.16 3k1f n GLY 189 N 0.89 -0.21 3.75 0.83 0.00 -0.16 -4.97 105.19 105.32 3k1f n GLY 189 Ca 0.04 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3k1f n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 190 N -5.66 4.59 0.11 0.99 1.43 0.05 -5.03 118.68 115.16 3k1f s LEU 190 Ca 0.20 2.08 0.04 0.00 -1.03 0.00 0.00 54.13 55.42 3k1f s LEU 190 Cb -0.09 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3k1f s LEU 190 CO 0.57 0.00 0.05 -0.54 0.23 0.00 0.00 176.35 176.67 3k1f s LYS 191 N -1.16 2.72 -0.48 1.70 -0.14 -1.26 -4.87 119.74 116.24 3k1f s LYS 191 Ca 0.43 -0.81 -0.34 0.00 -1.36 0.00 0.00 55.97 53.89 3k1f s LYS 191 Cb -0.28 -2.61 -0.13 0.00 -1.68 0.00 0.00 37.83 33.12 3k1f s LYS 191 CO 0.36 0.53 2.29 -2.13 -0.76 0.00 0.00 175.35 175.64 3k1f n ARG 192 N 0.31 0.80 0.00 1.68 0.63 -1.26 -1.06 116.66 117.76 3k1f n ARG 192 Ca -0.09 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3k1f n ARG 192 Cb 0.53 -2.35 0.00 0.00 0.45 0.00 0.00 32.46 31.08 3k1f n ARG 192 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k1f n GLY 193 N 6.57 1.73 3.80 5.14 0.00 -1.25 -5.00 105.19 116.17 3k1f n GLY 193 Ca 0.46 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 3k1f n GLY 193 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1f s GLU 194 N -0.17 3.76 0.11 1.61 2.02 -0.22 -4.71 118.70 121.10 3k1f s GLU 194 Ca 0.00 1.37 0.07 0.00 0.02 0.00 0.00 54.97 56.43 3k1f s GLU 194 Cb 0.00 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 3k1f s GLU 194 CO 0.00 -0.46 -0.09 0.08 0.02 0.00 0.00 175.26 174.80 3k1f s VAL 195 N -1.98 3.40 -0.09 2.63 1.01 -1.26 -1.67 120.40 122.44 3k1f s VAL 195 Ca 0.67 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3k1f s VAL 195 Cb -0.17 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.63 3k1f s VAL 195 CO 0.21 0.09 -0.11 0.68 0.00 0.00 0.00 175.10 175.97 3k1f s VAL 196 N -1.26 1.12 -0.94 2.92 -7.23 -0.21 -1.28 120.40 113.52 3k1f s VAL 196 Ca 0.22 -0.42 -0.20 0.00 -1.81 0.00 0.00 61.98 59.77 3k1f s VAL 196 Cb -0.11 -1.07 0.12 0.00 0.56 0.00 0.00 36.38 35.88 3k1f s VAL 196 CO 0.14 0.37 1.18 -0.75 -0.31 0.00 0.00 175.10 175.73 3k1f s LYS 197 N 1.07 3.58 -0.66 4.82 2.20 -0.55 -1.58 119.74 128.62 3k1f s LYS 197 Ca -0.07 -1.62 -0.27 0.00 -0.36 0.00 0.00 55.97 53.65 3k1f s LYS 197 Cb -0.15 -4.97 0.00 0.00 -1.51 0.00 0.00 37.83 31.21 3k1f s LYS 197 CO -0.01 -1.85 1.57 0.42 -0.36 0.00 0.00 175.35 175.12 3k1f s ILE 198 N 3.12 3.55 -0.35 5.43 1.01 0.17 -3.43 121.20 130.69 3k1f s ILE 198 Ca 0.35 0.33 -0.19 0.00 0.00 0.00 0.00 60.65 61.14 3k1f s ILE 198 Cb -0.04 -4.40 -0.00 0.00 0.01 0.00 0.00 42.46 38.02 3k1f s ILE 198 CO -0.09 -1.34 0.57 -0.63 0.00 0.00 0.00 174.94 173.45 3k1f s ILE 199 N 7.37 4.96 0.43 2.92 1.01 -0.62 -1.00 121.20 136.26 3k1f s ILE 199 Ca 0.52 0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.66 3k1f s ILE 199 Cb -0.11 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 3k1f s ILE 199 CO 0.19 -0.27 0.07 0.00 0.00 0.00 0.00 174.94 174.93 3k1f s ARG 200 N 2.53 2.07 0.07 2.79 1.70 -0.49 -3.35 118.95 124.27 3k1f s ARG 200 Ca 0.21 -2.08 -0.20 0.00 -0.47 0.00 0.00 55.73 53.19 3k1f s ARG 200 Cb -0.15 -1.73 -0.07 0.00 -0.57 0.00 0.00 34.95 32.44 3k1f s ARG 200 CO 0.14 -0.13 0.58 0.15 -1.08 0.00 0.00 175.30 174.96 3k1f s LYS 201 N -3.80 4.22 -0.07 3.89 -0.14 -1.26 -1.53 119.74 121.05 3k1f s LYS 201 Ca 0.32 0.76 0.03 0.00 -1.36 0.00 0.00 55.97 55.72 3k1f s LYS 201 Cb 0.07 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.98 3k1f s LYS 201 CO 0.17 0.62 -0.18 0.45 -0.76 0.00 0.00 175.35 175.65 3k1f s SER 202 N -1.05 2.35 0.00 2.83 0.15 -0.66 -4.87 113.70 112.45 3k1f s SER 202 Ca 0.29 -0.41 0.11 0.00 0.70 0.00 0.00 55.95 56.65 3k1f s SER 202 Cb -0.20 -0.97 0.64 0.00 -1.71 0.00 0.00 66.02 63.79 3k1f s SER 202 CO 0.19 0.11 1.16 -1.84 1.20 0.00 0.00 173.24 174.06 3k1f n GLU 203 N 3.53 0.66 0.00 5.44 0.28 -1.26 -1.00 120.64 128.29 3k1f n GLU 203 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 3k1f n GLU 203 Cb 0.52 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 32.14 3k1f n GLU 203 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 3k1f n THR 204 N -0.75 0.00 -0.04 3.84 5.66 -1.26 -4.91 114.28 116.81 3k1f n THR 204 Ca 0.08 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 3k1f n THR 204 Cb 0.04 1.75 0.00 0.00 -1.55 0.00 0.00 70.33 70.57 3k1f n THR 204 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3k1f n SER 205 N -0.01 0.00 0.00 1.09 7.64 -1.15 -5.05 113.62 116.13 3k1f n SER 205 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3k1f n SER 205 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3k1f n SER 205 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k1f n GLY 206 N 0.00 1.88 3.18 0.23 0.00 -0.17 -4.85 105.19 105.46 3k1f n GLY 206 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3k1f n GLY 206 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1f s ARG 207 N 0.00 1.32 -0.06 1.61 0.52 -1.26 -1.65 118.95 119.43 3k1f s ARG 207 Ca 0.00 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 3k1f s ARG 207 Cb 0.00 -1.33 0.04 0.00 0.52 0.00 0.00 34.95 34.18 3k1f s ARG 207 CO 0.00 0.35 0.12 -0.47 0.02 0.00 0.00 175.30 175.32 3k1f s TYR 208 N -0.57 -0.09 -0.45 -0.53 5.04 -0.58 -4.81 117.35 115.36 3k1f s TYR 208 Ca 0.06 0.45 -0.19 0.00 -2.44 0.00 0.00 57.07 54.95 3k1f s TYR 208 Cb -0.07 -0.30 0.03 0.00 0.35 0.00 0.00 41.96 41.97 3k1f s TYR 208 CO 0.00 -0.22 0.56 0.00 -1.34 0.00 0.00 175.55 174.55 3k1f s ALA 209 N 1.98 3.39 0.32 3.97 0.00 -1.26 -1.40 121.76 128.76 3k1f s ALA 209 Ca 0.01 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 50.57 3k1f s ALA 209 Cb -0.12 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3k1f s ALA 209 CO -0.05 -1.77 0.32 0.45 0.00 0.00 0.00 175.76 174.72 3k1f s SER 210 N 2.10 5.48 -0.01 0.00 0.15 -0.17 -4.96 113.70 116.29 3k1f s SER 210 Ca 0.16 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.44 3k1f s SER 210 Cb -0.17 -1.10 -0.00 0.00 -1.71 0.00 0.00 66.02 63.05 3k1f s SER 210 CO 0.15 -0.33 -0.06 -0.31 1.20 0.00 0.00 173.24 173.89 3k1f s TYR 211 N -2.25 0.62 -0.03 3.44 1.51 -1.26 -0.66 117.35 118.73 3k1f s TYR 211 Ca 0.41 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 3k1f s TYR 211 Cb -0.07 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.37 3k1f s TYR 211 CO 0.27 -0.03 -0.06 1.03 -1.11 0.00 0.00 175.55 175.66 3k1f s ARG 212 N -0.02 0.69 -0.03 -0.62 0.52 -0.61 -4.17 118.95 114.71 3k1f s ARG 212 Ca 0.01 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 3k1f s ARG 212 Cb -0.04 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.71 3k1f s ARG 212 CO -0.00 0.03 -0.02 -1.50 0.02 0.00 0.00 175.30 173.83 3k1f s ILE 213 N 0.40 4.06 0.43 1.52 2.07 -0.42 -1.05 121.20 128.20 3k1f s ILE 213 Ca -0.05 -0.54 -0.26 0.00 -1.41 0.00 0.00 60.65 58.39 3k1f s ILE 213 Cb -0.09 -2.76 -0.09 0.00 0.13 0.00 0.00 42.46 39.65 3k1f s ILE 213 CO 0.00 0.45 1.37 0.00 -1.91 0.00 0.00 174.94 174.86