#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4f h GLN 11 N 0.00 0.81 -6.58 -0.52 5.75 -2.01 -3.39 115.11 109.16 3k4f h GLN 11 Ca 0.00 -0.57 -0.53 0.00 -0.15 0.00 0.00 58.65 57.40 3k4f h GLN 11 Cb 0.00 0.09 0.02 0.00 1.07 0.00 0.00 27.48 28.66 3k4f h GLN 11 CO 0.00 1.19 0.62 -0.51 -2.65 0.00 0.00 178.83 177.48 3k4f s ASP 12 N -6.95 6.98 0.25 -0.69 1.01 -1.26 -4.94 116.67 111.07 3k4f s ASP 12 Ca -0.11 2.22 -0.05 0.00 0.71 0.00 0.00 52.55 55.32 3k4f s ASP 12 Cb 0.09 -2.59 0.30 0.00 1.01 0.00 0.00 42.92 41.73 3k4f s ASP 12 CO 0.89 -0.50 1.90 0.25 0.21 0.00 0.00 175.17 177.92 3k4f h LEU 13 N 6.12 1.05 -0.74 1.23 5.85 -1.86 -0.30 115.31 126.66 3k4f h LEU 13 Ca -0.43 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.34 3k4f h LEU 13 Cb 1.21 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 3k4f h LEU 13 CO 0.80 0.72 0.43 0.77 -0.34 0.00 0.00 178.44 180.82 3k4f h SER 14 N 1.22 0.65 0.37 1.25 4.64 -1.87 0.11 113.55 119.93 3k4f h SER 14 Ca 0.38 0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 61.49 3k4f h SER 14 Cb -0.01 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3k4f h SER 14 CO -0.12 0.42 -0.98 -0.33 -0.87 0.00 0.00 176.83 174.95 3k4f h GLU 15 N 0.79 0.39 -0.56 4.77 4.39 -1.83 -2.94 114.58 119.59 3k4f h GLU 15 Ca 0.33 -0.44 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 3k4f h GLU 15 Cb 0.20 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3k4f h GLU 15 CO -0.18 1.12 0.02 0.00 -1.16 0.00 0.00 179.01 178.80 3k4f h ALA 16 N 0.73 0.97 -0.45 3.43 0.00 -0.56 -0.64 119.26 122.75 3k4f h ALA 16 Ca -0.09 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3k4f h ALA 16 Cb 1.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3k4f h ALA 16 CO 0.17 0.63 -0.26 -0.07 0.00 0.00 0.00 179.25 179.71 3k4f h LEU 17 N 0.88 0.99 -0.56 0.00 3.38 -0.87 -1.60 115.31 117.53 3k4f h LEU 17 Ca 0.17 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3k4f h LEU 17 Cb 0.49 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3k4f h LEU 17 CO 0.02 1.19 0.17 0.50 0.09 0.00 0.00 178.44 180.41 3k4f h LYS 18 N 0.81 0.87 -0.04 1.13 3.64 -1.31 -2.10 116.57 119.56 3k4f h LYS 18 Ca 0.10 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 3k4f h LYS 18 Cb 0.84 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 3k4f h LYS 18 CO 0.07 0.79 -0.73 1.49 -2.27 0.00 0.00 179.45 178.80 3k4f h GLU 19 N 0.78 0.23 0.00 1.90 4.22 -1.08 -2.97 114.58 117.66 3k4f h GLU 19 Ca 0.18 -0.20 -0.17 0.00 0.08 0.00 0.00 59.36 59.25 3k4f h GLU 19 Cb 0.28 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3k4f h GLU 19 CO -0.01 0.86 -0.81 0.00 -2.18 0.00 0.00 179.01 176.88 3k4f h ALA 20 N 1.08 0.51 -0.64 2.92 0.00 -1.23 -3.30 119.26 118.59 3k4f h ALA 20 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3k4f h ALA 20 Cb 1.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3k4f h ALA 20 CO 0.11 1.01 0.00 0.25 0.00 0.00 0.00 179.25 180.63 3k4f n THR 21 N -3.35 0.90 -0.14 0.00 -2.24 -0.80 -4.54 114.28 104.11 3k4f n THR 21 Ca 0.00 -0.95 -0.08 0.00 -2.27 0.00 0.00 64.05 60.76 3k4f n THR 21 Cb 0.84 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3k4f n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3k4f h LYS 22 N 4.20 0.57 -0.14 -0.78 3.64 -1.61 -0.30 116.57 122.14 3k4f h LYS 22 Ca 0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3k4f h LYS 22 Cb 0.97 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3k4f h LYS 22 CO 0.00 0.41 -0.09 1.49 -2.27 0.00 0.00 179.45 179.00 3k4f h GLU 23 N 0.56 0.31 0.00 1.90 4.81 -1.85 -2.24 114.58 118.07 3k4f h GLU 23 Ca 0.15 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3k4f h GLU 23 Cb -0.01 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3k4f h GLU 23 CO -0.03 0.66 -0.26 -0.39 -0.73 0.00 0.00 179.01 178.26 3k4f h VAL 24 N -0.04 0.77 -0.35 0.32 -1.51 -1.85 -1.80 116.25 111.80 3k4f h VAL 24 Ca 0.03 -1.07 -0.11 0.00 -1.23 0.00 0.00 66.70 64.32 3k4f h VAL 24 Cb 0.57 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 3k4f h VAL 24 CO 0.02 0.25 -0.24 -0.74 -1.23 0.00 0.00 177.57 175.63 3k4f h HIS 25 N 0.00 0.78 -0.43 5.19 -0.00 -0.94 -1.95 115.15 117.80 3k4f h HIS 25 Ca -0.00 -0.18 -0.10 0.00 -0.00 0.00 0.00 60.37 60.08 3k4f h HIS 25 Cb 0.64 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.85 3k4f h HIS 25 CO 0.00 0.87 -0.15 1.15 -0.00 0.00 0.00 177.93 179.79 3k4f h THR 26 N 0.60 1.26 -0.77 6.26 2.02 -0.80 -1.79 112.91 119.70 3k4f h THR 26 Ca 0.08 -1.25 0.05 0.00 0.77 0.00 0.00 66.41 66.06 3k4f h THR 26 Cb 0.73 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 3k4f h THR 26 CO 0.06 0.43 0.47 1.56 0.37 0.00 0.00 175.52 178.41 3k4f h GLN 27 N 0.72 0.87 -0.69 6.66 4.20 -1.15 -1.51 115.11 124.21 3k4f h GLN 27 Ca 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 3k4f h GLN 27 Cb 0.66 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 3k4f h GLN 27 CO 0.05 0.57 0.17 0.00 -0.67 0.00 0.00 178.83 178.95 3k4f h ALA 28 N 1.36 0.99 -0.43 3.87 0.00 -1.06 -1.64 119.26 122.36 3k4f h ALA 28 Ca 0.33 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3k4f h ALA 28 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3k4f h ALA 28 CO -0.15 0.65 0.08 0.93 0.00 0.00 0.00 179.25 180.76 3k4f h GLU 29 N 1.04 0.65 0.00 0.00 5.08 -0.90 -2.92 114.58 117.52 3k4f h GLU 29 Ca 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3k4f h GLU 29 Cb 0.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3k4f h GLU 29 CO 0.00 0.61 -0.29 -1.71 -1.00 0.00 0.00 179.01 176.62 3k4f n ASN 30 N -4.30 0.50 -4.69 1.42 5.15 -0.61 -4.31 115.26 108.43 3k4f n ASN 30 Ca 0.03 0.24 -0.43 0.00 -0.60 0.00 0.00 54.58 53.82 3k4f n ASN 30 Cb 0.22 -0.21 -0.01 0.00 -0.53 0.00 0.00 39.78 39.25 3k4f n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k4f n ALA 31 N -1.66 1.11 -0.16 5.20 0.00 -0.65 -4.75 120.51 119.60 3k4f n ALA 31 Ca 0.05 0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 3k4f n ALA 31 Cb 0.39 -2.23 0.07 0.00 0.00 0.00 0.00 19.45 17.68 3k4f n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3k4f h GLU 32 N 2.48 0.32 -0.62 0.00 5.08 -1.91 0.71 114.58 120.64 3k4f h GLU 32 Ca -0.45 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 3k4f h GLU 32 Cb 1.29 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 3k4f h GLU 32 CO 0.62 0.21 0.10 0.35 -1.00 0.00 0.00 179.01 179.29 3k4f h PHE 33 N 0.33 1.05 -0.43 4.33 3.04 -1.91 -1.44 116.94 121.91 3k4f h PHE 33 Ca 0.25 -0.13 -0.12 0.00 3.98 0.00 0.00 57.97 61.95 3k4f h PHE 33 Cb 0.29 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 3k4f h PHE 33 CO -0.18 0.89 -0.19 0.52 -2.02 0.00 0.00 178.31 177.33 3k4f h MET 34 N 0.94 0.90 -0.25 1.11 2.86 -1.66 -0.22 114.93 118.61 3k4f h MET 34 Ca 0.19 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3k4f h MET 34 Cb 0.41 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 3k4f h MET 34 CO 0.01 1.03 0.03 0.00 1.06 0.00 0.00 176.91 179.05 3k4f h ARG 35 N 0.72 0.12 -0.61 1.72 3.08 -0.71 -1.13 114.38 117.58 3k4f h ARG 35 Ca 0.10 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3k4f h ARG 35 Cb 0.75 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3k4f h ARG 35 CO 0.06 0.08 0.27 -0.91 -1.07 0.00 0.00 179.97 178.40 3k4f h ASN 36 N 0.12 0.81 -0.53 7.04 -0.26 -1.09 -3.01 115.58 118.66 3k4f h ASN 36 Ca 0.12 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.67 3k4f h ASN 36 Cb 0.13 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 3k4f h ASN 36 CO -0.17 0.73 0.17 0.15 -1.06 0.00 0.00 177.43 177.25 3k4f h PHE 37 N 0.83 0.84 -0.91 1.19 3.04 -0.88 0.26 116.94 121.31 3k4f h PHE 37 Ca 0.21 -0.08 0.20 0.00 3.98 0.00 0.00 57.97 62.28 3k4f h PHE 37 Cb 0.15 -0.25 -0.11 0.00 2.56 0.00 0.00 35.95 38.30 3k4f h PHE 37 CO 0.00 0.72 0.46 1.96 -2.02 0.00 0.00 178.31 179.44 3k4f h GLN 38 N 0.72 0.51 -0.64 1.11 4.20 -1.07 0.06 115.11 120.00 3k4f h GLN 38 Ca 0.17 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3k4f h GLN 38 Cb 0.27 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3k4f h GLN 38 CO -0.01 0.34 0.00 1.63 -0.67 0.00 0.00 178.83 180.12 3k4f n LYS 39 N -4.94 3.75 -3.42 1.46 4.01 -1.07 -4.94 118.16 113.00 3k4f n LYS 39 Ca 0.22 -2.57 -0.21 0.00 -0.51 0.00 0.00 58.31 55.24 3k4f n LYS 39 Cb 0.61 -1.95 0.07 0.00 -0.51 0.00 0.00 35.03 33.25 3k4f n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3k4f n GLY 40 N 0.85 -0.37 1.63 0.72 0.00 0.01 -4.91 105.19 103.11 3k4f n GLY 40 Ca 0.23 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.46 3k4f n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4f n GLN 41 N -4.41 4.03 -2.80 1.61 1.13 0.88 -4.86 117.38 112.95 3k4f n GLN 41 Ca -0.00 -2.73 -0.40 0.00 -1.94 0.00 0.00 57.00 51.93 3k4f n GLN 41 Cb 0.56 -2.03 -0.06 0.00 0.11 0.00 0.00 30.24 28.82 3k4f n GLN 41 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3k4f s VAL 42 N -2.22 4.14 0.33 5.09 0.11 -1.26 -4.86 120.40 121.73 3k4f s VAL 42 Ca 0.48 2.01 0.07 0.00 -2.93 0.00 0.00 61.98 61.61 3k4f s VAL 42 Cb 0.34 -4.29 -0.01 0.00 -1.53 0.00 0.00 36.38 30.89 3k4f s VAL 42 CO 0.18 0.50 0.47 0.42 -3.33 0.00 0.00 175.10 173.34 3k4f s THR 43 N -1.16 4.07 0.24 5.04 -4.23 -1.26 -4.79 115.64 113.55 3k4f s THR 43 Ca 0.40 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.85 3k4f s THR 43 Cb -0.25 -3.41 0.23 0.00 1.34 0.00 0.00 72.50 70.41 3k4f s THR 43 CO 0.31 -0.16 1.90 0.03 -0.54 0.00 0.00 174.62 176.16 3k4f h ARG 44 N 0.90 1.15 -0.49 3.99 3.08 -1.93 -0.04 114.38 121.03 3k4f h ARG 44 Ca -0.46 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.56 3k4f h ARG 44 Cb 1.26 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 3k4f h ARG 44 CO 0.53 0.76 0.27 -0.44 -1.07 0.00 0.00 179.97 180.02 3k4f h ASP 45 N 1.18 0.42 -0.73 7.04 3.32 -1.98 0.15 116.42 125.81 3k4f h ASP 45 Ca 0.36 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 3k4f h ASP 45 Cb -0.04 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3k4f h ASP 45 CO -0.11 0.29 0.29 1.23 -1.72 0.00 0.00 179.24 179.23 3k4f h GLY 46 N 0.54 1.18 0.91 2.75 0.00 -1.82 -1.71 103.07 104.91 3k4f h GLY 46 Ca 0.21 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3k4f h GLY 46 CO -0.12 0.61 -0.17 -2.75 0.00 0.00 0.00 176.54 174.10 3k4f h PHE 47 N 1.05 0.72 -0.90 5.60 3.57 -0.72 -2.82 116.94 123.44 3k4f h PHE 47 Ca 0.24 -0.19 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3k4f h PHE 47 Cb 0.21 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3k4f h PHE 47 CO 0.02 0.87 0.59 0.87 -2.23 0.00 0.00 178.31 178.43 3k4f h LYS 48 N 0.35 0.94 -0.61 1.11 1.57 -0.62 -1.70 116.57 117.61 3k4f h LYS 48 Ca 0.06 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3k4f h LYS 48 Cb 0.71 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 3k4f h LYS 48 CO 0.05 0.62 0.12 1.25 -0.57 0.00 0.00 179.45 180.92 3k4f h LEU 49 N 0.97 0.92 -0.07 2.94 6.46 -1.15 -1.13 115.31 124.24 3k4f h LEU 49 Ca 0.40 -0.19 -0.22 0.00 -0.12 0.00 0.00 57.88 57.76 3k4f h LEU 49 Cb 0.30 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 40.00 3k4f h LEU 49 CO -0.16 0.91 -0.80 0.58 -0.62 0.00 0.00 178.44 178.34 3k4f h VAL 50 N 0.92 1.31 -0.80 1.05 2.07 -1.21 -2.30 116.25 117.29 3k4f h VAL 50 Ca 0.19 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 3k4f h VAL 50 Cb 0.37 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 3k4f h VAL 50 CO 0.01 0.63 0.42 0.24 0.02 0.00 0.00 177.57 178.89 3k4f h MET 51 N 0.32 1.13 -0.49 1.57 2.86 -1.19 0.13 114.93 119.25 3k4f h MET 51 Ca -0.08 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3k4f h MET 51 Cb 1.45 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 3k4f h MET 51 CO 0.16 0.85 0.21 0.00 1.06 0.00 0.00 176.91 179.19 3k4f h ALA 52 N 1.22 0.63 0.12 6.32 0.00 -1.25 -1.23 119.26 125.07 3k4f h ALA 52 Ca 0.28 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k4f h ALA 52 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3k4f h ALA 52 CO -0.04 0.23 -0.15 0.77 0.00 0.00 0.00 179.25 180.05 3k4f h SER 53 N 0.65 -0.42 -0.97 0.00 0.02 -0.87 -2.41 113.55 109.55 3k4f h SER 53 Ca 0.16 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3k4f h SER 53 Cb 0.17 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 3k4f h SER 53 CO -0.02 -0.23 0.63 -0.07 -1.14 0.00 0.00 176.83 176.01 3k4f h LEU 54 N -0.32 1.02 0.32 5.07 3.38 -0.68 -1.53 115.31 122.58 3k4f h LEU 54 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k4f h LEU 54 Cb 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3k4f h LEU 54 CO -0.06 0.67 -0.28 0.22 0.09 0.00 0.00 178.44 179.07 3k4f h TYR 55 N 1.16 -0.75 -0.82 1.13 3.20 -1.00 0.13 116.97 120.03 3k4f h TYR 55 Ca 0.41 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.32 3k4f h TYR 55 Cb 0.13 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 3k4f h TYR 55 CO -0.00 -0.41 0.51 0.45 -1.64 0.00 0.00 178.16 177.07 3k4f h HIS 56 N -0.62 0.96 -0.12 -3.82 3.86 -1.07 0.88 115.15 115.21 3k4f h HIS 56 Ca -0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3k4f h HIS 56 Cb 0.55 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3k4f h HIS 56 CO -0.16 0.53 0.05 0.82 0.86 0.00 0.00 177.93 180.03 3k4f h ILE 57 N 0.98 1.14 -0.00 2.45 2.04 -1.13 -2.66 117.51 120.33 3k4f h ILE 57 Ca 0.34 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 3k4f h ILE 57 Cb 0.07 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3k4f h ILE 57 CO -0.13 0.13 -0.50 1.88 0.00 0.00 0.00 178.15 179.52 3k4f h TYR 58 N 0.05 0.00 -0.02 1.37 0.05 -0.36 -0.42 116.97 117.64 3k4f h TYR 58 Ca 0.04 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3k4f h TYR 58 Cb 0.16 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 3k4f h TYR 58 CO -0.02 0.50 0.02 0.28 -1.05 0.00 0.00 178.16 177.89 3k4f h VAL 59 N 0.00 1.02 -0.22 -2.88 2.07 -0.79 -0.92 116.25 114.53 3k4f h VAL 59 Ca -0.01 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3k4f h VAL 59 Cb 0.89 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3k4f h VAL 59 CO 0.07 0.02 0.02 0.00 0.02 0.00 0.00 177.57 177.70 3k4f h ALA 60 N 0.99 0.29 0.12 1.67 0.00 -1.26 -1.70 119.26 119.37 3k4f h ALA 60 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3k4f h ALA 60 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3k4f h ALA 60 CO -0.00 -0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.43 3k4f h LEU 61 N 0.16 -0.14 -0.37 0.00 5.85 -1.07 -2.26 115.31 117.49 3k4f h LEU 61 Ca 0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3k4f h LEU 61 Cb 0.35 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3k4f h LEU 61 CO 0.01 -0.07 0.00 -0.33 -0.34 0.00 0.00 178.44 177.71 3k4f h GLU 62 N -0.19 0.00 0.01 1.25 5.08 -1.22 0.51 114.58 120.02 3k4f h GLU 62 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3k4f h GLU 62 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3k4f h GLU 62 CO 0.03 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 178.96 3k4f h GLU 63 N 0.00 -0.01 -0.17 2.33 5.08 -1.17 -2.66 114.58 117.97 3k4f h GLU 63 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3k4f h GLU 63 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3k4f h GLU 63 CO 0.00 0.30 -0.50 0.93 -1.00 0.00 0.00 179.01 178.74 3k4f h GLU 64 N -0.33 0.46 -0.22 2.33 4.39 -0.95 -2.06 114.58 118.20 3k4f h GLU 64 Ca -0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3k4f h GLU 64 Cb 0.32 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3k4f h GLU 64 CO 0.00 0.86 0.14 0.82 -1.16 0.00 0.00 179.01 179.67 3k4f h ILE 65 N 0.37 1.06 -0.15 3.13 2.04 -1.00 -1.34 117.51 121.62 3k4f h ILE 65 Ca 0.02 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3k4f h ILE 65 Cb 1.01 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3k4f h ILE 65 CO 0.09 0.06 -0.04 -0.33 0.00 0.00 0.00 178.15 177.93 3k4f h GLU 66 N 0.29 0.22 -0.15 2.37 4.39 -1.31 0.13 114.58 120.52 3k4f h GLU 66 Ca 0.08 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 3k4f h GLU 66 Cb -0.02 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3k4f h GLU 66 CO -0.02 0.28 -0.45 -0.09 -1.16 0.00 0.00 179.01 177.58 3k4f h ARG 67 N 0.22 0.36 -0.19 2.33 2.43 -1.00 -3.30 114.38 115.23 3k4f h ARG 67 Ca 0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3k4f h ARG 67 Cb 0.22 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3k4f h ARG 67 CO 0.01 0.75 0.00 0.09 -1.51 0.00 0.00 179.97 179.30 3k4f n ASN 68 N -4.00 3.34 0.15 -3.80 4.13 -0.54 -4.79 115.26 109.76 3k4f n ASN 68 Ca -0.02 -2.89 0.02 0.00 1.68 0.00 0.00 54.58 53.37 3k4f n ASN 68 Cb 0.52 -0.46 0.37 0.00 -1.54 0.00 0.00 39.78 38.67 3k4f n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 3k4f h LYS 69 N 1.32 0.13 -0.33 3.52 2.10 -0.85 -2.83 116.57 119.62 3k4f h LYS 69 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3k4f h LYS 69 Cb 1.23 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3k4f h LYS 69 CO 0.14 0.38 0.00 -0.85 -2.00 0.00 0.00 179.45 177.12 3k4f n GLU 70 N -4.19 2.25 -2.55 0.07 0.28 -1.26 -3.81 120.64 111.43 3k4f n GLU 70 Ca -0.01 -2.06 -0.40 0.00 -0.16 0.00 0.00 57.16 54.52 3k4f n GLU 70 Cb 0.34 -1.41 -0.05 0.00 1.43 0.00 0.00 31.44 31.76 3k4f n GLU 70 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3k4f s SER 71 N -1.24 7.35 0.62 -1.84 0.15 -1.07 -4.83 113.70 112.85 3k4f s SER 71 Ca 0.31 2.13 0.33 0.00 0.70 0.00 0.00 55.95 59.42 3k4f s SER 71 Cb 0.18 -2.62 1.84 0.00 -1.71 0.00 0.00 66.02 63.71 3k4f s SER 71 CO 0.25 -0.10 2.13 1.55 1.20 0.00 0.00 173.24 178.27 3k4f h PRO 72 N 4.34 0.00 0.00 5.44 0.13 -1.93 0.32 132.00 140.31 3k4f h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3k4f h PRO 72 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3k4f h PRO 72 CO 0.69 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.79 3k4f n VAL 73 N -3.46 0.58 0.00 1.56 0.24 -1.26 -4.27 118.33 111.72 3k4f n VAL 73 Ca -0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3k4f n VAL 73 Cb 0.27 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 3k4f n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3k4f n PHE 74 N -2.06 0.00 -0.31 6.34 7.35 -0.58 -4.77 117.46 123.42 3k4f n PHE 74 Ca 0.05 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.91 3k4f n PHE 74 Cb 0.34 0.00 0.35 0.00 0.35 0.00 0.00 39.48 40.52 3k4f n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k4f h ALA 75 N 0.00 1.46 -0.49 3.13 0.00 -0.51 -0.13 119.26 122.72 3k4f h ALA 75 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3k4f h ALA 75 Cb 0.21 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3k4f h ALA 75 CO 0.00 -0.56 0.33 -1.35 0.00 0.00 0.00 179.25 177.66 3k4f h PRO 76 N 0.16 0.52 -0.64 0.00 0.11 -1.83 -2.35 132.00 127.97 3k4f h PRO 76 Ca 0.62 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3k4f h PRO 76 Cb 1.35 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k4f h PRO 76 CO -0.71 0.34 0.00 1.33 -0.21 0.00 0.00 178.00 178.75 3k4f n VAL 77 N -4.47 1.88 -2.68 3.15 0.24 -0.08 -4.85 118.33 111.51 3k4f n VAL 77 Ca 0.06 -1.12 -0.42 0.00 -2.04 0.00 0.00 64.34 60.82 3k4f n VAL 77 Cb 0.16 -0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.48 3k4f n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3k4f s TYR 78 N -2.02 2.58 -0.55 6.34 5.04 -0.89 -4.92 117.35 122.93 3k4f s TYR 78 Ca 0.47 0.03 0.06 0.00 -2.44 0.00 0.00 57.07 55.20 3k4f s TYR 78 Cb 0.32 -4.39 0.21 0.00 0.35 0.00 0.00 41.96 38.45 3k4f s TYR 78 CO 0.20 -1.66 0.54 1.19 -1.34 0.00 0.00 175.55 174.48 3k4f n PHE 79 N 8.31 1.64 -0.00 4.97 3.72 -1.26 -5.00 117.46 129.85 3k4f n PHE 79 Ca 0.03 -3.88 -0.12 0.00 -0.05 0.00 0.00 57.45 53.43 3k4f n PHE 79 Cb 0.48 -0.35 -0.07 0.00 -0.94 0.00 0.00 39.48 38.61 3k4f n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3k4f h PRO 80 N 4.81 0.10 -0.64 -1.08 0.13 -1.98 -2.41 132.00 130.94 3k4f h PRO 80 Ca 0.17 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.20 3k4f h PRO 80 Cb 0.79 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 3k4f h PRO 80 CO 0.62 0.21 0.07 0.93 -0.23 0.00 0.00 178.00 179.60 3k4f h GLU 81 N -0.04 1.07 -0.07 0.86 4.39 -1.96 -1.21 114.58 117.61 3k4f h GLU 81 Ca 0.02 -0.30 -0.18 0.00 0.34 0.00 0.00 59.36 59.24 3k4f h GLU 81 Cb 0.15 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3k4f h GLU 81 CO -0.00 1.00 -0.74 0.93 -1.16 0.00 0.00 179.01 179.04 3k4f h GLU 82 N 0.99 0.37 0.00 2.33 3.07 -1.84 -3.41 114.58 116.09 3k4f h GLU 82 Ca 0.19 -0.31 -0.14 0.00 -0.50 0.00 0.00 59.36 58.60 3k4f h GLU 82 Cb 0.47 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 3k4f h GLU 82 CO 0.02 0.96 -1.53 1.28 -1.40 0.00 0.00 179.01 178.33 3k4f n LEU 83 N -3.82 0.00 -4.60 1.33 4.77 -0.91 -4.51 117.00 109.26 3k4f n LEU 83 Ca -0.04 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.46 3k4f n LEU 83 Cb 0.71 0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.95 3k4f n LEU 83 CO 0.48 0.19 0.79 0.00 -1.33 0.00 0.00 177.39 177.51 3k4f n HIS 84 N -2.28 1.47 0.01 -1.77 1.44 -0.47 -4.90 115.22 108.72 3k4f n HIS 84 Ca -0.12 0.63 0.00 0.00 -2.01 0.00 0.00 57.72 56.22 3k4f n HIS 84 Cb 0.74 -2.32 -0.00 0.00 0.12 0.00 0.00 29.99 28.53 3k4f n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3k4f n ARG 85 N 1.88 2.71 0.01 -1.40 5.12 -1.26 -4.78 116.66 118.94 3k4f n ARG 85 Ca 0.15 -0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.97 3k4f n ARG 85 Cb 0.25 -0.82 -0.03 0.00 -1.16 0.00 0.00 32.46 30.70 3k4f n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 3k4f h LYS 86 N 0.00 -0.26 -0.47 5.56 3.64 -1.90 -0.20 116.57 122.93 3k4f h LYS 86 Ca 0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3k4f h LYS 86 Cb 0.02 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3k4f h LYS 86 CO 0.00 -0.17 0.23 0.00 -2.27 0.00 0.00 179.45 177.23 3k4f h ALA 87 N 0.71 0.60 -0.84 5.00 0.00 -1.99 -0.59 119.26 122.15 3k4f h ALA 87 Ca 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3k4f h ALA 87 Cb 0.41 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3k4f h ALA 87 CO -0.27 -0.13 0.42 0.00 0.00 0.00 0.00 179.25 179.27 3k4f h ALA 88 N 1.26 1.08 -0.20 0.00 0.00 -1.77 -2.03 119.26 117.60 3k4f h ALA 88 Ca 0.21 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3k4f h ALA 88 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3k4f h ALA 88 CO -0.16 0.62 -0.42 -0.07 0.00 0.00 0.00 179.25 179.22 3k4f h LEU 89 N 1.18 0.52 -0.33 0.00 3.38 -0.51 -1.57 115.31 117.97 3k4f h LEU 89 Ca 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3k4f h LEU 89 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3k4f h LEU 89 CO -0.04 0.88 0.17 -0.33 0.09 0.00 0.00 178.44 179.21 3k4f h GLU 90 N 0.40 0.47 -0.56 1.13 5.08 -0.93 0.36 114.58 120.53 3k4f h GLU 90 Ca 0.03 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3k4f h GLU 90 Cb 0.91 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 3k4f h GLU 90 CO 0.08 0.41 0.24 1.96 -1.00 0.00 0.00 179.01 180.69 3k4f h GLN 91 N 0.40 0.44 -0.37 2.33 1.08 -1.19 -1.96 115.11 115.84 3k4f h GLN 91 Ca 0.11 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.13 3k4f h GLN 91 Cb 0.09 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3k4f h GLN 91 CO -0.02 0.29 -0.38 -0.44 -0.95 0.00 0.00 178.83 177.33 3k4f h ASP 92 N 0.45 0.97 0.23 1.46 3.32 -1.06 -3.16 116.42 118.63 3k4f h ASP 92 Ca 0.27 -0.47 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 3k4f h ASP 92 Cb 0.26 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3k4f h ASP 92 CO -0.23 1.24 -0.43 -0.07 -1.72 0.00 0.00 179.24 178.03 3k4f h LEU 93 N 0.72 0.27 -1.66 1.55 3.38 -0.78 -0.72 115.31 118.07 3k4f h LEU 93 Ca 0.06 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3k4f h LEU 93 Cb 0.97 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3k4f h LEU 93 CO 0.09 0.67 0.25 0.00 0.09 0.00 0.00 178.44 179.54 3k4f h ALA 94 N 1.34 1.78 0.01 1.53 0.00 -1.35 0.21 119.26 122.79 3k4f h ALA 94 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3k4f h ALA 94 Cb 0.85 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3k4f h ALA 94 CO 0.07 0.19 -0.17 0.35 0.00 0.00 0.00 179.25 179.69 3k4f h PHE 95 N 0.46 0.15 -0.15 0.00 3.57 -1.38 -2.05 116.94 117.54 3k4f h PHE 95 Ca 0.14 -0.09 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 3k4f h PHE 95 Cb 0.01 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3k4f h PHE 95 CO -0.00 0.92 -0.56 -1.49 -2.23 0.00 0.00 178.31 174.95 3k4f h TRP 96 N -0.66 0.59 -0.01 0.41 4.06 -0.90 -3.32 115.95 116.13 3k4f h TRP 96 Ca -0.02 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.72 3k4f h TRP 96 Cb 0.97 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 3k4f h TRP 96 CO 0.20 0.92 -0.16 0.66 -3.56 0.00 0.00 178.44 176.50 3k4f n TYR 97 N -3.94 0.00 -3.34 0.49 4.02 0.73 -5.07 117.16 110.05 3k4f n TYR 97 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3k4f n TYR 97 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 3k4f n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k4f n GLY 98 N 0.80 -2.06 0.26 2.72 0.00 -0.77 -4.20 105.19 101.93 3k4f n GLY 98 Ca 0.04 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.61 3k4f n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k4f h PRO 99 N 0.00 0.00 -0.78 1.61 0.11 -1.92 -2.44 132.00 128.58 3k4f h PRO 99 Ca 0.00 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3k4f h PRO 99 Cb 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3k4f h PRO 99 CO 0.00 0.02 0.06 0.54 -0.21 0.00 0.00 178.00 178.41 3k4f n ARG 100 N -4.51 3.18 -0.26 1.05 1.74 -1.26 -4.67 116.66 111.92 3k4f n ARG 100 Ca -0.03 -1.93 0.04 0.00 -0.77 0.00 0.00 57.85 55.17 3k4f n ARG 100 Cb 0.11 -1.94 0.18 0.00 -1.02 0.00 0.00 32.46 29.79 3k4f n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 3k4f h TRP 101 N 2.20 0.59 0.00 -1.55 5.08 -1.60 -1.33 115.95 119.34 3k4f h TRP 101 Ca 0.06 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.05 3k4f h TRP 101 Cb 1.52 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 27.53 3k4f h TRP 101 CO 0.72 0.13 -0.03 0.37 -1.28 0.00 0.00 178.44 178.35 3k4f h GLN 102 N 0.52 0.00 0.01 0.12 4.15 -1.87 -0.93 115.11 117.11 3k4f h GLN 102 Ca 0.41 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.53 3k4f h GLN 102 Cb 0.56 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 3k4f h GLN 102 CO -0.36 0.03 -1.70 0.93 -1.93 0.00 0.00 178.83 175.81 3k4f h GLU 103 N 0.00 0.02 0.00 1.69 5.08 -1.64 -3.41 114.58 116.32 3k4f h GLU 103 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k4f h GLU 103 Cb 0.44 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3k4f h GLU 103 CO 0.00 0.56 -1.41 1.33 -1.00 0.00 0.00 179.01 178.49 3k4f n VAL 104 N -3.09 0.00 -1.84 3.13 0.24 -0.86 -4.98 118.33 110.93 3k4f n VAL 104 Ca -0.17 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 3k4f n VAL 104 Cb 1.05 0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 33.87 3k4f n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3k4f s ILE 105 N -3.01 2.16 0.53 1.34 -4.36 -0.39 -4.97 121.20 112.50 3k4f s ILE 105 Ca -0.01 0.15 -0.20 0.00 -0.26 0.00 0.00 60.65 60.33 3k4f s ILE 105 Cb 0.12 -3.10 -0.06 0.00 1.25 0.00 0.00 42.46 40.67 3k4f s ILE 105 CO 0.74 0.03 1.12 -2.16 0.24 0.00 0.00 174.94 174.91 3k4f s PRO 106 N -1.68 3.44 -0.42 0.37 0.04 -1.26 -5.03 135.00 130.47 3k4f s PRO 106 Ca 0.55 1.58 0.02 0.00 0.04 0.00 0.00 61.00 63.19 3k4f s PRO 106 Cb -0.46 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.20 3k4f s PRO 106 CO 0.58 -0.77 0.28 -0.47 0.04 0.00 0.00 177.00 176.67 3k4f s TYR 107 N -1.79 1.41 0.52 0.56 5.04 -1.26 -4.81 117.35 117.02 3k4f s TYR 107 Ca 0.72 -2.20 -0.05 0.00 -2.44 0.00 0.00 57.07 53.09 3k4f s TYR 107 Cb -0.23 -1.32 -0.02 0.00 0.35 0.00 0.00 41.96 40.74 3k4f s TYR 107 CO 0.26 -0.79 0.83 0.95 -1.34 0.00 0.00 175.55 175.46 3k4f s THR 108 N 0.34 4.40 0.30 4.34 -4.23 -1.26 -4.86 115.64 114.67 3k4f s THR 108 Ca 0.23 0.11 0.05 0.00 -1.18 0.00 0.00 61.69 60.90 3k4f s THR 108 Cb -0.13 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.30 3k4f s THR 108 CO -0.07 -0.69 1.71 -0.65 -0.54 0.00 0.00 174.62 174.37 3k4f h PRO 109 N 0.07 0.45 -0.06 3.99 0.11 -2.00 -0.57 132.00 133.98 3k4f h PRO 109 Ca -0.46 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3k4f h PRO 109 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3k4f h PRO 109 CO 0.61 0.29 -0.45 0.00 -0.21 0.00 0.00 178.00 178.24 3k4f h ALA 110 N 1.71 1.13 -0.24 -0.75 0.00 -1.94 0.63 119.26 119.80 3k4f h ALA 110 Ca 0.58 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3k4f h ALA 110 Cb 1.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3k4f h ALA 110 CO -0.51 0.60 -0.13 0.52 0.00 0.00 0.00 179.25 179.74 3k4f h MET 111 N 0.12 0.51 -0.58 0.00 2.86 -1.63 -2.83 114.93 113.38 3k4f h MET 111 Ca 0.01 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3k4f h MET 111 Cb 0.85 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 3k4f h MET 111 CO 0.07 0.78 0.35 1.96 1.06 0.00 0.00 176.91 181.12 3k4f h GLN 112 N 0.22 0.66 -0.73 1.72 4.20 -0.78 -0.22 115.11 120.19 3k4f h GLN 112 Ca 0.05 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3k4f h GLN 112 Cb 0.64 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3k4f h GLN 112 CO 0.04 0.44 0.22 0.00 -0.67 0.00 0.00 178.83 178.86 3k4f h ARG 113 N 0.68 1.14 -0.01 1.46 3.08 -0.92 0.40 114.38 120.21 3k4f h ARG 113 Ca 0.23 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3k4f h ARG 113 Cb 0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3k4f h ARG 113 CO -0.10 0.97 0.00 -0.92 -1.07 0.00 0.00 179.97 178.85 3k4f h TYR 114 N 1.09 0.02 -0.62 3.04 5.03 -1.22 -1.95 116.97 122.37 3k4f h TYR 114 Ca 0.24 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.55 3k4f h TYR 114 Cb 0.31 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 3k4f h TYR 114 CO 0.03 0.28 0.40 0.28 -1.32 0.00 0.00 178.16 177.83 3k4f h VAL 115 N -0.24 1.16 -0.41 1.81 2.07 -0.84 -1.54 116.25 118.26 3k4f h VAL 115 Ca 0.00 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3k4f h VAL 115 Cb 0.27 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3k4f h VAL 115 CO 0.00 0.16 0.14 0.50 0.02 0.00 0.00 177.57 178.39 3k4f h LYS 116 N 0.84 0.29 -0.56 1.57 3.64 -0.17 -1.82 116.57 120.36 3k4f h LYS 116 Ca 0.23 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3k4f h LYS 116 Cb -0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3k4f h LYS 116 CO -0.05 0.19 0.18 -0.09 -2.27 0.00 0.00 179.45 177.42 3k4f h ARG 117 N 0.30 0.87 -0.53 1.90 9.65 -1.10 -1.85 114.38 123.62 3k4f h ARG 117 Ca 0.19 -0.18 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 3k4f h ARG 117 Cb 0.17 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.58 3k4f h ARG 117 CO -0.19 0.78 0.27 -0.07 2.80 0.00 0.00 179.97 183.55 3k4f h LEU 118 N 0.78 0.38 -0.62 3.80 3.38 -0.91 -0.49 115.31 121.63 3k4f h LEU 118 Ca 0.18 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3k4f h LEU 118 Cb 0.27 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3k4f h LEU 118 CO -0.01 0.26 -0.44 0.45 0.09 0.00 0.00 178.44 178.79 3k4f h HIS 119 N 0.51 0.70 -0.65 1.13 3.86 -1.24 -1.38 115.15 118.09 3k4f h HIS 119 Ca 0.24 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3k4f h HIS 119 Cb 0.15 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 3k4f h HIS 119 CO -0.10 0.92 0.36 0.93 0.86 0.00 0.00 177.93 180.89 3k4f h GLU 120 N 0.47 0.90 0.32 2.45 5.08 -0.96 -0.59 114.58 122.26 3k4f h GLU 120 Ca 0.03 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3k4f h GLU 120 Cb 0.95 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3k4f h GLU 120 CO 0.09 0.68 -0.15 0.28 -1.00 0.00 0.00 179.01 178.90 3k4f h VAL 121 N 0.88 0.69 -0.35 3.13 2.07 -0.96 -1.20 116.25 120.53 3k4f h VAL 121 Ca 0.23 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3k4f h VAL 121 Cb 0.03 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3k4f h VAL 121 CO -0.04 0.09 0.22 1.23 0.02 0.00 0.00 177.57 179.09 3k4f h GLY 122 N -0.69 0.49 1.03 2.17 0.00 -1.20 0.28 103.07 105.15 3k4f h GLY 122 Ca -0.04 -0.19 -0.32 0.00 0.00 0.00 0.00 47.33 46.78 3k4f h GLY 122 CO 0.07 0.18 -1.68 3.21 0.00 0.00 0.00 176.54 178.32 3k4f h ARG 123 N 0.47 0.20 0.00 4.80 3.08 -1.12 -3.40 114.38 118.41 3k4f h ARG 123 Ca 0.13 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3k4f h ARG 123 Cb -0.04 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3k4f h ARG 123 CO -0.03 1.01 -1.02 0.25 -1.07 0.00 0.00 179.97 179.12 3k4f n THR 124 N -3.38 0.01 -2.99 2.04 -2.24 -0.46 -4.84 114.28 102.44 3k4f n THR 124 Ca -0.20 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 3k4f n THR 124 Cb 1.05 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 3k4f n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k4f n GLU 125 N -1.88 2.18 0.24 -0.78 1.02 0.87 -4.94 120.64 117.35 3k4f n GLU 125 Ca -0.00 -4.12 0.16 0.00 -0.02 0.00 0.00 57.16 53.18 3k4f n GLU 125 Cb 0.38 -1.95 0.85 0.00 -0.02 0.00 0.00 31.44 30.70 3k4f n GLU 125 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3k4f h PRO 126 N 2.96 0.00 0.00 3.49 0.13 -1.43 -0.70 132.00 136.45 3k4f h PRO 126 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3k4f h PRO 126 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3k4f h PRO 126 CO 0.67 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.49 3k4f h GLU 127 N 0.00 0.00 -0.02 0.86 9.09 -1.86 -2.75 114.58 119.90 3k4f h GLU 127 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3k4f h GLU 127 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 3k4f h GLU 127 CO 0.00 0.00 -0.32 1.28 0.05 0.00 0.00 179.01 180.02 3k4f n LEU 128 N -2.74 2.10 0.17 3.06 4.77 -0.27 -4.41 117.00 119.68 3k4f n LEU 128 Ca 0.00 -0.74 0.06 0.00 -0.03 0.00 0.00 56.01 55.31 3k4f n LEU 128 Cb 0.22 -0.02 0.54 0.00 -2.33 0.00 0.00 43.42 41.84 3k4f n LEU 128 CO 0.22 0.38 1.06 0.25 -1.33 0.00 0.00 177.39 177.97 3k4f h LEU 129 N 2.80 0.15 -1.27 2.23 5.85 -1.60 -1.50 115.31 121.97 3k4f h LEU 129 Ca 0.00 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3k4f h LEU 129 Cb 0.77 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 3k4f h LEU 129 CO 0.00 0.15 0.54 1.62 -0.34 0.00 0.00 178.44 180.41 3k4f h VAL 130 N 0.18 0.99 -0.69 1.05 3.04 -1.79 -0.01 116.25 119.02 3k4f h VAL 130 Ca 0.05 -0.29 -0.07 0.00 -1.01 0.00 0.00 66.70 65.38 3k4f h VAL 130 Cb 0.05 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 29.39 3k4f h VAL 130 CO -0.00 0.15 0.17 0.00 -1.01 0.00 0.00 177.57 176.87 3k4f h ALA 131 N 1.57 0.99 -0.10 3.17 0.00 -1.57 0.22 119.26 123.54 3k4f h ALA 131 Ca 0.37 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 3k4f h ALA 131 Cb 0.34 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3k4f h ALA 131 CO -0.14 0.65 -0.86 0.45 0.00 0.00 0.00 179.25 179.35 3k4f h HIS 132 N 1.04 0.99 -0.70 0.00 -0.00 -1.45 -2.05 115.15 112.98 3k4f h HIS 132 Ca 0.22 -0.47 -0.06 0.00 -0.00 0.00 0.00 60.37 60.05 3k4f h HIS 132 Cb 0.37 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 3k4f h HIS 132 CO 0.03 1.30 0.19 0.00 -0.00 0.00 0.00 177.93 179.44 3k4f h ALA 133 N 0.56 0.93 0.06 2.45 0.00 -0.85 -1.45 119.26 120.95 3k4f h ALA 133 Ca -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k4f h ALA 133 Cb 1.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3k4f h ALA 133 CO 0.17 0.64 -0.03 -0.92 0.00 0.00 0.00 179.25 179.11 3k4f h TYR 134 N 1.05 -0.07 -0.42 0.00 3.20 -0.58 0.26 116.97 120.40 3k4f h TYR 134 Ca 0.22 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3k4f h TYR 134 Cb 0.35 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3k4f h TYR 134 CO 0.03 -0.02 0.27 1.15 -1.64 0.00 0.00 178.16 177.95 3k4f h THR 135 N -0.11 1.09 0.18 1.81 2.02 -1.23 -2.54 112.91 114.12 3k4f h THR 135 Ca -0.01 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3k4f h THR 135 Cb 0.09 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3k4f h THR 135 CO 0.01 0.10 -0.08 0.03 0.37 0.00 0.00 175.52 175.95 3k4f h ARG 136 N 0.55 -0.23 0.42 6.66 2.47 -1.28 -3.28 114.38 119.68 3k4f h ARG 136 Ca 0.16 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 3k4f h ARG 136 Cb -0.04 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3k4f h ARG 136 CO -0.05 -0.15 -0.20 1.88 0.56 0.00 0.00 179.97 182.01 3k4f h TYR 137 N -0.60 -0.52 -0.25 3.04 0.05 -1.02 0.04 116.97 117.71 3k4f h TYR 137 Ca -0.02 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 3k4f h TYR 137 Cb 0.18 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 3k4f h TYR 137 CO 0.03 -0.27 -0.21 -0.07 -1.05 0.00 0.00 178.16 176.59 3k4f h LEU 138 N -0.65 0.46 0.24 3.88 4.07 -1.59 0.18 115.31 121.90 3k4f h LEU 138 Ca -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 3k4f h LEU 138 Cb 0.48 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3k4f h LEU 138 CO 0.09 0.69 -0.11 1.23 -1.08 0.00 0.00 178.44 179.26 3k4f h GLY 139 N 0.99 -0.33 1.71 0.83 0.00 -1.61 -2.18 103.07 102.48 3k4f h GLY 139 Ca 0.07 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3k4f h GLY 139 CO 0.04 -0.12 -0.12 -0.55 0.00 0.00 0.00 176.54 175.80 3k4f h ASP 140 N -0.56 0.33 -0.13 0.19 3.32 -0.77 -2.20 116.42 116.61 3k4f h ASP 140 Ca -0.03 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 3k4f h ASP 140 Cb 0.41 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3k4f h ASP 140 CO 0.05 0.49 -0.34 0.25 -1.72 0.00 0.00 179.24 177.97 3k4f h LEU 141 N 0.33 0.65 -0.33 1.55 5.85 -0.70 -1.04 115.31 121.62 3k4f h LEU 141 Ca 0.07 -0.27 -0.18 0.00 0.84 0.00 0.00 57.88 58.34 3k4f h LEU 141 Cb 0.41 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3k4f h LEU 141 CO 0.02 0.94 -0.48 0.28 -0.34 0.00 0.00 178.44 178.86 3k4f h SER 142 N 0.53 0.99 0.00 1.25 0.02 -0.84 -3.33 113.55 112.17 3k4f h SER 142 Ca 0.06 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3k4f h SER 142 Cb 0.84 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3k4f h SER 142 CO 0.07 1.31 -1.28 0.61 -1.14 0.00 0.00 176.83 176.39 3k4f n GLY 143 N 0.27 -1.00 0.38 -3.77 0.00 -0.88 -4.70 105.19 95.50 3k4f n GLY 143 Ca -0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 3k4f n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4f n GLY 144 N 1.43 -2.14 0.24 -0.02 0.00 -0.40 -0.16 105.19 104.14 3k4f n GLY 144 Ca 0.02 1.09 -0.10 0.00 0.00 0.00 0.00 46.02 47.02 3k4f n GLY 144 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k4f h GLN 145 N 0.00 0.71 -0.25 1.61 1.08 -1.84 -0.84 115.11 115.57 3k4f h GLN 145 Ca 0.27 -0.40 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 3k4f h GLN 145 Cb 0.51 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3k4f h GLN 145 CO -0.93 1.02 -0.05 0.28 -0.95 0.00 0.00 178.83 178.20 3k4f h VAL 146 N 0.57 1.28 -0.81 -0.54 2.07 -1.58 -2.23 116.25 114.99 3k4f h VAL 146 Ca 0.03 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3k4f h VAL 146 Cb 1.01 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 3k4f h VAL 146 CO 0.10 0.32 0.44 -0.07 0.02 0.00 0.00 177.57 178.38 3k4f h LEU 147 N 0.22 1.01 -0.12 2.57 3.38 -0.50 -2.20 115.31 119.68 3k4f h LEU 147 Ca 0.06 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3k4f h LEU 147 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3k4f h LEU 147 CO 0.02 0.82 0.06 0.50 0.09 0.00 0.00 178.44 179.93 3k4f h LYS 148 N 1.13 0.13 -0.77 1.13 3.64 -1.09 -0.67 116.57 120.07 3k4f h LYS 148 Ca 0.29 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3k4f h LYS 148 Cb 0.03 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3k4f h LYS 148 CO -0.05 0.08 0.37 -0.22 -2.27 0.00 0.00 179.45 177.37 3k4f h LYS 149 N 0.13 1.10 -0.20 1.90 3.64 -1.21 0.34 116.57 122.27 3k4f h LYS 149 Ca 0.05 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3k4f h LYS 149 Cb 0.01 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3k4f h LYS 149 CO -0.03 0.85 0.07 0.82 -2.27 0.00 0.00 179.45 178.88 3k4f h ILE 150 N 1.09 1.18 -0.86 2.00 2.04 -1.27 -2.19 117.51 119.50 3k4f h ILE 150 Ca 0.26 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3k4f h ILE 150 Cb 0.11 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3k4f h ILE 150 CO -0.03 0.18 0.49 0.00 0.00 0.00 0.00 178.15 178.79 3k4f h ALA 151 N 0.90 1.10 -0.65 1.87 0.00 -0.48 -1.08 119.26 120.91 3k4f h ALA 151 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k4f h ALA 151 Cb 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3k4f h ALA 151 CO -0.00 0.58 0.39 1.96 0.00 0.00 0.00 179.25 182.18 3k4f h GLN 152 N 1.19 0.89 -0.02 0.00 4.20 -0.29 -1.14 115.11 119.93 3k4f h GLN 152 Ca 0.30 -0.08 -0.17 0.00 0.06 0.00 0.00 58.65 58.76 3k4f h GLN 152 Cb -0.01 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3k4f h GLN 152 CO -0.05 0.63 -0.76 -0.22 -0.67 0.00 0.00 178.83 177.76 3k4f h LYS 153 N 0.89 0.18 0.05 1.46 3.64 -1.10 -3.32 116.57 118.36 3k4f h LYS 153 Ca 0.23 -0.17 -0.32 0.00 -1.27 0.00 0.00 60.65 59.13 3k4f h LYS 153 Cb -0.03 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3k4f h LYS 153 CO -0.04 0.85 -1.85 0.00 -2.27 0.00 0.00 179.45 176.14 3k4f n ALA 154 N -2.46 1.26 0.14 5.00 0.00 -0.43 -4.51 120.51 119.51 3k4f n ALA 154 Ca -0.03 -0.72 0.12 0.00 0.00 0.00 0.00 53.44 52.81 3k4f n ALA 154 Cb 0.72 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 19.43 3k4f n ALA 154 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k4f n LEU 155 N -3.20 0.81 -3.77 0.00 4.77 -0.44 -4.98 117.00 110.19 3k4f n LEU 155 Ca -0.24 0.30 -0.25 0.00 -0.03 0.00 0.00 56.01 55.80 3k4f n LEU 155 Cb 1.05 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 42.09 3k4f n LEU 155 CO 0.44 -0.17 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.53 3k4f n ASP 156 N -2.61 -2.09 -4.82 -1.43 4.64 -1.25 -4.96 116.55 104.03 3k4f n ASP 156 Ca 0.00 -0.93 -0.32 0.00 -1.38 0.00 0.00 54.79 52.15 3k4f n ASP 156 Cb 0.54 -3.57 -0.01 0.00 -1.04 0.00 0.00 41.12 37.04 3k4f n ASP 156 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3k4f s LEU 157 N -6.68 3.54 1.25 -2.67 2.34 -1.26 -5.05 118.68 110.14 3k4f s LEU 157 Ca 0.14 1.70 -0.18 0.00 0.06 0.00 0.00 54.13 55.85 3k4f s LEU 157 Cb -0.05 -4.52 0.30 0.00 -0.56 0.00 0.00 46.19 41.37 3k4f s LEU 157 CO 0.85 -0.92 1.02 -2.84 -1.06 0.00 0.00 176.35 173.40 3k4f s PRO 158 N -4.11 -1.55 -0.81 1.48 0.02 -1.26 -4.87 135.00 123.90 3k4f s PRO 158 Ca 0.61 0.34 -0.07 0.00 0.02 0.00 0.00 61.00 61.90 3k4f s PRO 158 Cb -0.13 -1.52 -0.13 0.00 0.02 0.00 0.00 34.50 32.74 3k4f s PRO 158 CO 0.35 -4.02 3.17 0.45 -0.33 0.00 0.00 177.00 176.62 3k4f n SER 159 N -5.05 7.01 0.05 2.53 2.88 -1.26 -4.54 113.62 115.24 3k4f n SER 159 Ca 0.08 -2.65 0.02 0.00 -1.33 0.00 0.00 58.87 55.00 3k4f n SER 159 Cb 0.58 -1.45 -0.06 0.00 -0.75 0.00 0.00 64.21 62.52 3k4f n SER 159 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3k4f n SER 160 N 2.68 0.85 -0.74 -3.46 3.41 -1.26 -4.97 113.62 110.13 3k4f n SER 160 Ca 0.59 0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 59.49 3k4f n SER 160 Cb 0.55 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 3k4f n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4f n GLY 161 N 1.35 0.66 3.20 5.00 0.00 -1.26 -5.02 105.19 109.12 3k4f n GLY 161 Ca -0.08 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3k4f n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4f s GLU 162 N -3.31 0.80 0.00 1.61 2.02 -1.26 -4.97 118.70 113.58 3k4f s GLU 162 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3k4f s GLU 162 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.56 3k4f s GLU 162 CO 0.00 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.44 3k4f n GLY 163 N 0.24 2.00 0.79 -1.39 0.00 -1.26 -4.94 105.19 100.63 3k4f n GLY 163 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.90 3k4f n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k4f n LEU 164 N 0.00 1.55 0.12 0.99 4.77 -1.26 -4.82 117.00 118.36 3k4f n LEU 164 Ca 0.00 -2.57 0.02 0.00 -0.03 0.00 0.00 56.01 53.43 3k4f n LEU 164 Cb 0.00 -0.23 0.36 0.00 -2.33 0.00 0.00 43.42 41.21 3k4f n LEU 164 CO 0.00 0.76 0.82 0.00 -1.33 0.00 0.00 177.39 177.64 3k4f h ALA 165 N 0.63 1.42 -0.59 -1.18 0.00 -1.92 -2.94 119.26 114.67 3k4f h ALA 165 Ca -0.08 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.68 3k4f h ALA 165 Cb 1.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3k4f h ALA 165 CO 0.03 0.41 0.40 0.35 0.00 0.00 0.00 179.25 180.44 3k4f h PHE 166 N 0.19 0.36 -0.00 0.00 3.57 -1.88 -2.38 116.94 116.79 3k4f h PHE 166 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3k4f h PHE 166 Cb 0.49 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3k4f h PHE 166 CO 0.01 0.17 -0.11 1.19 -2.23 0.00 0.00 178.31 177.34 3k4f n PHE 167 N -4.46 0.00 -4.21 0.41 3.72 -1.11 -4.67 117.46 107.15 3k4f n PHE 167 Ca 0.10 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.16 3k4f n PHE 167 Cb 0.42 -0.34 -0.13 0.00 -0.94 0.00 0.00 39.48 38.49 3k4f n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3k4f s THR 168 N -2.79 3.60 -0.77 4.37 2.01 -0.90 -4.02 115.64 117.14 3k4f s THR 168 Ca 0.20 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 61.61 3k4f s THR 168 Cb 0.19 -2.60 0.19 0.00 0.01 0.00 0.00 72.50 70.29 3k4f s THR 168 CO 0.53 0.46 0.75 -0.36 -0.69 0.00 0.00 174.62 175.30 3k4f s PHE 169 N 0.91 3.58 0.36 4.92 0.40 -1.26 -4.94 117.98 121.95 3k4f s PHE 169 Ca -0.00 -1.76 0.27 0.00 -0.60 0.00 0.00 56.93 54.83 3k4f s PHE 169 Cb -0.15 -3.87 1.34 0.00 0.51 0.00 0.00 43.02 40.86 3k4f s PHE 169 CO 0.01 -1.05 2.02 -1.00 0.70 0.00 0.00 175.22 175.90 3k4f h PRO 170 N 8.14 0.00 -0.46 0.24 0.13 -1.93 -1.50 132.00 136.62 3k4f h PRO 170 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3k4f h PRO 170 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3k4f h PRO 170 CO 0.85 0.14 0.00 0.09 -0.23 0.00 0.00 178.00 178.85 3k4f n ASN 171 N -3.58 2.64 -3.98 1.44 5.03 -1.26 -4.64 115.26 110.90 3k4f n ASN 171 Ca -0.01 -1.97 -0.31 0.00 0.87 0.00 0.00 54.58 53.16 3k4f n ASN 171 Cb 0.28 -0.30 -0.15 0.00 -1.02 0.00 0.00 39.78 38.58 3k4f n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3k4f s ILE 172 N -1.39 1.95 0.05 2.41 1.01 -0.57 -4.74 121.20 119.92 3k4f s ILE 172 Ca 0.34 -1.86 -0.16 0.00 0.00 0.00 0.00 60.65 58.96 3k4f s ILE 172 Cb 0.18 -2.31 -0.22 0.00 0.01 0.00 0.00 42.46 40.12 3k4f s ILE 172 CO 0.24 -0.38 1.16 0.00 0.00 0.00 0.00 174.94 175.96 3k4f h ALA 173 N 7.77 0.12 -3.50 9.38 0.00 -1.82 -3.43 119.26 127.78 3k4f h ALA 173 Ca -0.11 -0.63 -0.64 0.00 0.00 0.00 0.00 54.91 53.53 3k4f h ALA 173 Cb 1.03 0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.50 3k4f h ALA 173 CO 0.48 0.53 -0.82 0.45 0.00 0.00 0.00 179.25 179.90 3k4f s SER 174 N -7.02 3.69 0.16 0.00 0.15 -1.26 -5.02 113.70 104.40 3k4f s SER 174 Ca -0.11 -1.01 -0.15 0.00 0.70 0.00 0.00 55.95 55.38 3k4f s SER 174 Cb 0.06 -1.38 0.08 0.00 -1.71 0.00 0.00 66.02 63.06 3k4f s SER 174 CO 0.87 -0.13 1.78 0.00 1.20 0.00 0.00 173.24 176.96 3k4f h ALA 175 N 7.90 0.53 -0.35 5.45 0.00 -1.94 -1.95 119.26 128.89 3k4f h ALA 175 Ca -0.28 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3k4f h ALA 175 Cb 1.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3k4f h ALA 175 CO 0.50 -0.14 0.16 1.15 0.00 0.00 0.00 179.25 180.93 3k4f h THR 176 N 0.44 0.96 -0.36 0.00 2.02 -1.98 0.19 112.91 114.18 3k4f h THR 176 Ca 0.18 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3k4f h THR 176 Cb 0.08 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3k4f h THR 176 CO -0.12 0.06 0.13 0.50 0.37 0.00 0.00 175.52 176.45 3k4f h LYS 177 N 0.34 0.27 -0.31 6.66 3.64 -1.91 -1.57 116.57 123.69 3k4f h LYS 177 Ca 0.15 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 3k4f h LYS 177 Cb 0.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3k4f h LYS 177 CO -0.12 0.18 -0.22 0.35 -2.27 0.00 0.00 179.45 177.37 3k4f h PHE 178 N 0.28 0.82 -0.50 1.91 3.57 -1.07 -2.74 116.94 119.20 3k4f h PHE 178 Ca 0.17 -0.22 0.08 0.00 3.53 0.00 0.00 57.97 61.52 3k4f h PHE 178 Cb 0.14 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 3k4f h PHE 178 CO -0.14 0.95 0.15 0.87 -2.23 0.00 0.00 178.31 177.90 3k4f h LYS 179 N 0.45 0.30 -0.77 1.11 1.57 -0.42 0.32 116.57 119.13 3k4f h LYS 179 Ca 0.06 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3k4f h LYS 179 Cb 0.77 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 3k4f h LYS 179 CO 0.06 0.20 0.51 1.96 -0.57 0.00 0.00 179.45 181.60 3k4f h GLN 180 N 0.31 1.00 -0.31 3.15 4.20 -1.30 0.17 115.11 122.33 3k4f h GLN 180 Ca 0.24 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 3k4f h GLN 180 Cb 0.29 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3k4f h GLN 180 CO -0.28 0.66 0.09 1.25 -0.67 0.00 0.00 178.83 179.89 3k4f h LEU 181 N 1.03 0.46 -0.74 1.46 5.85 -1.03 -2.27 115.31 120.06 3k4f h LEU 181 Ca 0.28 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3k4f h LEU 181 Cb -0.11 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3k4f h LEU 181 CO -0.07 0.55 -0.08 0.22 -0.34 0.00 0.00 178.44 178.72 3k4f h TYR 182 N 0.34 0.96 -0.65 1.25 3.20 -0.03 -1.74 116.97 120.31 3k4f h TYR 182 Ca 0.10 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 3k4f h TYR 182 Cb 0.26 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3k4f h TYR 182 CO 0.01 0.91 0.35 0.00 -1.64 0.00 0.00 178.16 177.79 3k4f h ARG 183 N 0.80 0.92 -0.65 1.82 3.08 -0.65 -0.87 114.38 118.81 3k4f h ARG 183 Ca 0.14 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3k4f h ARG 183 Cb 0.59 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3k4f h ARG 183 CO 0.04 0.70 0.20 1.03 -1.07 0.00 0.00 179.97 180.87 3k4f h SER 184 N 0.89 0.94 0.16 7.04 0.87 -1.13 -0.89 113.55 121.42 3k4f h SER 184 Ca 0.23 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 3k4f h SER 184 Cb 0.06 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3k4f h SER 184 CO -0.03 0.88 -0.48 0.03 -0.53 0.00 0.00 176.83 176.69 3k4f h ARG 185 N 0.97 0.38 -0.71 2.24 2.47 -1.07 0.12 114.38 118.77 3k4f h ARG 185 Ca 0.21 -0.21 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 3k4f h ARG 185 Cb 0.28 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 3k4f h ARG 185 CO -0.01 0.78 0.26 0.52 0.56 0.00 0.00 179.97 182.08 3k4f h MET 186 N 0.30 1.08 0.00 0.04 2.86 -0.83 -2.91 114.93 115.47 3k4f h MET 186 Ca 0.02 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 3k4f h MET 186 Cb 0.96 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3k4f h MET 186 CO 0.08 0.89 -0.40 -0.91 1.06 0.00 0.00 176.91 177.64 3k4f h ASN 187 N 1.05 0.00 1.20 1.22 2.35 -0.73 -3.04 115.58 117.62 3k4f h ASN 187 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3k4f h ASN 187 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3k4f h ASN 187 CO -0.01 0.40 0.00 0.77 -1.65 0.00 0.00 177.43 176.93 3k4f h SER 188 N 0.00 0.00 -2.69 5.81 4.64 -0.59 -3.45 113.55 117.27 3k4f h SER 188 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3k4f h SER 188 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3k4f h SER 188 CO 0.05 0.00 1.00 -0.22 -0.87 0.00 0.00 176.83 176.79 3k4f s LEU 189 N -5.71 4.35 -0.20 5.97 2.96 -1.14 -4.97 118.68 119.94 3k4f s LEU 189 Ca 0.04 2.40 -0.21 0.00 -0.22 0.00 0.00 54.13 56.14 3k4f s LEU 189 Cb 0.08 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.19 3k4f s LEU 189 CO 0.54 -0.88 0.63 -0.70 -1.32 0.00 0.00 176.35 174.63 3k4f s GLU 190 N 2.91 4.20 -0.03 1.98 2.56 -1.26 -5.05 118.70 124.02 3k4f s GLU 190 Ca 0.73 0.62 -0.20 0.00 0.00 0.00 0.00 54.97 56.12 3k4f s GLU 190 Cb -0.38 -3.59 0.04 0.00 2.00 0.00 0.00 34.13 32.21 3k4f s GLU 190 CO 0.31 -0.26 0.43 0.00 -0.56 0.00 0.00 175.26 175.18 3k4f s MET 191 N 1.98 0.79 0.74 4.30 0.23 -1.26 -4.94 119.30 121.14 3k4f s MET 191 Ca 0.29 -0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 54.79 3k4f s MET 191 Cb -0.16 0.36 0.04 0.00 -1.53 0.00 0.00 34.83 33.54 3k4f s MET 191 CO 0.10 -0.23 1.09 0.95 -2.03 0.00 0.00 175.02 174.90 3k4f s THR 192 N -1.26 3.45 0.30 3.16 -4.23 -1.26 -4.79 115.64 111.00 3k4f s THR 192 Ca -0.13 0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 3k4f s THR 192 Cb -0.04 -3.03 0.29 0.00 1.34 0.00 0.00 72.50 71.06 3k4f s THR 192 CO 0.06 -0.58 1.76 -0.65 -0.54 0.00 0.00 174.62 174.66 3k4f h PRO 193 N -0.87 0.64 -0.26 3.99 0.11 -2.02 0.57 132.00 134.17 3k4f h PRO 193 Ca -0.44 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3k4f h PRO 193 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3k4f h PRO 193 CO 0.53 0.43 0.04 0.00 -0.21 0.00 0.00 178.00 178.78 3k4f h ALA 194 N 1.65 0.34 -0.48 -0.75 0.00 -1.99 -1.02 119.26 117.01 3k4f h ALA 194 Ca 0.57 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 3k4f h ALA 194 Cb 0.93 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3k4f h ALA 194 CO -0.41 0.03 0.20 0.28 0.00 0.00 0.00 179.25 179.35 3k4f h VAL 195 N 0.24 1.21 -0.53 0.00 2.07 -1.83 -2.01 116.25 115.39 3k4f h VAL 195 Ca 0.08 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.03 3k4f h VAL 195 Cb 0.34 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3k4f h VAL 195 CO 0.01 0.24 0.21 -0.09 0.02 0.00 0.00 177.57 177.95 3k4f h ARG 196 N 0.64 0.39 -0.77 1.57 2.43 -0.75 0.16 114.38 118.05 3k4f h ARG 196 Ca 0.16 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3k4f h ARG 196 Cb 0.19 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3k4f h ARG 196 CO -0.01 0.26 0.37 0.37 -1.51 0.00 0.00 179.97 179.45 3k4f h GLN 197 N 0.40 1.10 -0.29 0.20 5.75 -1.05 -1.72 115.11 119.51 3k4f h GLN 197 Ca 0.25 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.50 3k4f h GLN 197 Cb 0.26 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3k4f h GLN 197 CO -0.24 0.85 -0.24 0.00 -2.65 0.00 0.00 178.83 176.55 3k4f h ARG 198 N 1.08 0.56 -0.21 1.69 3.08 -0.60 -0.67 114.38 119.31 3k4f h ARG 198 Ca 0.26 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3k4f h ARG 198 Cb 0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3k4f h ARG 198 CO -0.03 0.75 0.12 0.28 -1.07 0.00 0.00 179.97 180.02 3k4f h VAL 199 N 0.49 1.10 -0.28 2.04 2.07 -0.42 0.96 116.25 122.21 3k4f h VAL 199 Ca 0.07 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3k4f h VAL 199 Cb 0.68 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3k4f h VAL 199 CO 0.05 0.09 0.02 0.40 0.02 0.00 0.00 177.57 178.16 3k4f h ILE 200 N 0.25 0.82 -0.72 4.57 1.08 -1.09 -1.37 117.51 121.05 3k4f h ILE 200 Ca 0.08 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 3k4f h ILE 200 Cb 0.04 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 3k4f h ILE 200 CO -0.01 0.02 0.43 -0.33 -0.69 0.00 0.00 178.15 177.57 3k4f h GLU 201 N 0.11 0.98 -0.17 2.37 5.08 -0.91 -2.66 114.58 119.39 3k4f h GLU 201 Ca 0.13 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3k4f h GLU 201 Cb 0.16 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3k4f h GLU 201 CO -0.20 0.69 -0.40 1.49 -1.00 0.00 0.00 179.01 179.59 3k4f h GLU 202 N 1.00 0.37 -0.59 2.33 4.57 -0.30 -1.43 114.58 120.53 3k4f h GLU 202 Ca 0.26 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3k4f h GLU 202 Cb -0.03 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3k4f h GLU 202 CO -0.05 0.72 0.19 0.00 -1.18 0.00 0.00 179.01 178.69 3k4f h ALA 203 N 1.26 0.77 -0.39 2.92 0.00 -0.92 0.25 119.26 123.15 3k4f h ALA 203 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3k4f h ALA 203 Cb 0.85 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3k4f h ALA 203 CO 0.07 0.43 0.18 0.87 0.00 0.00 0.00 179.25 180.81 3k4f h LYS 204 N 0.84 0.57 -0.60 0.00 1.57 -1.34 -1.13 116.57 116.47 3k4f h LYS 204 Ca 0.19 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3k4f h LYS 204 Cb 0.27 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3k4f h LYS 204 CO -0.01 0.51 0.27 1.15 -0.57 0.00 0.00 179.45 180.81 3k4f h THR 205 N 0.50 0.85 -0.59 -0.16 2.02 -0.98 -0.05 112.91 114.51 3k4f h THR 205 Ca 0.13 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3k4f h THR 205 Cb 0.13 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3k4f h THR 205 CO -0.02 0.09 0.30 0.00 0.37 0.00 0.00 175.52 176.27 3k4f h ALA 206 N 1.37 0.75 -0.67 6.16 0.00 -0.21 -0.05 119.26 126.61 3k4f h ALA 206 Ca 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3k4f h ALA 206 Cb 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3k4f h ALA 206 CO -0.25 0.29 0.31 0.74 0.00 0.00 0.00 179.25 180.35 3k4f h PHE 207 N 0.79 0.97 -0.23 0.00 0.04 -0.84 -2.44 116.94 115.23 3k4f h PHE 207 Ca 0.20 -0.05 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 3k4f h PHE 207 Cb 0.08 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 3k4f h PHE 207 CO -0.01 0.73 -0.35 -0.07 -0.60 0.00 0.00 178.31 178.01 3k4f h LEU 208 N 0.93 0.53 -1.27 1.54 3.38 -0.64 -0.65 115.31 119.12 3k4f h LEU 208 Ca 0.23 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3k4f h LEU 208 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3k4f h LEU 208 CO -0.03 0.84 -0.09 -0.07 0.09 0.00 0.00 178.44 179.19 3k4f h LEU 209 N 0.43 0.37 -0.25 1.67 3.38 -0.90 0.60 115.31 120.61 3k4f h LEU 209 Ca 0.05 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3k4f h LEU 209 Cb 0.82 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3k4f h LEU 209 CO 0.07 0.50 -0.36 0.78 0.09 0.00 0.00 178.44 179.51 3k4f h ASN 210 N 0.37 0.74 -0.27 -0.43 2.35 -1.00 -1.96 115.58 115.38 3k4f h ASN 210 Ca 0.08 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 3k4f h ASN 210 Cb 0.39 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3k4f h ASN 210 CO 0.02 1.11 0.12 0.40 -1.65 0.00 0.00 177.43 177.43 3k4f h ILE 211 N 0.40 1.16 -0.19 2.81 2.04 -0.83 -1.77 117.51 121.13 3k4f h ILE 211 Ca 0.02 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 3k4f h ILE 211 Cb 0.95 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3k4f h ILE 211 CO 0.08 0.16 -0.21 1.56 0.00 0.00 0.00 178.15 179.75 3k4f h GLN 212 N 0.29 0.34 0.42 2.37 4.20 -0.96 -1.04 115.11 120.73 3k4f h GLN 212 Ca 0.09 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3k4f h GLN 212 Cb 0.15 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3k4f h GLN 212 CO -0.01 0.54 -0.20 1.25 -0.67 0.00 0.00 178.83 179.73 3k4f h LEU 213 N 0.31 -0.48 -1.33 1.46 5.85 -1.14 -2.14 115.31 117.84 3k4f h LEU 213 Ca 0.05 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3k4f h LEU 213 Cb 0.54 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3k4f h LEU 213 CO 0.04 -0.31 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.35 3k4f h PHE 214 N -0.62 0.00 -0.35 1.25 0.04 -1.14 -0.07 116.94 116.05 3k4f h PHE 214 Ca -0.06 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3k4f h PHE 214 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3k4f h PHE 214 CO -0.04 0.22 -0.02 0.93 -0.60 0.00 0.00 178.31 178.80 3k4f h GLU 215 N 0.00 0.64 -0.48 1.51 5.08 -1.17 -2.04 114.58 118.11 3k4f h GLU 215 Ca -0.00 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3k4f h GLU 215 Cb 0.64 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3k4f h GLU 215 CO 0.03 0.77 0.04 1.49 -1.00 0.00 0.00 179.01 180.33 3k4f h GLU 216 N 0.44 0.83 -0.63 2.33 4.81 -0.70 -1.88 114.58 119.77 3k4f h GLU 216 Ca 0.10 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3k4f h GLU 216 Cb 0.50 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3k4f h GLU 216 CO 0.02 0.86 0.35 -0.07 -0.73 0.00 0.00 179.01 179.44 3k4f h LEU 217 N 0.69 0.79 -0.79 1.64 3.38 -1.04 -0.97 115.31 119.01 3k4f h LEU 217 Ca 0.14 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3k4f h LEU 217 Cb 0.46 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3k4f h LEU 217 CO 0.02 0.66 0.32 -0.61 0.09 0.00 0.00 178.44 178.92 3k4f h GLN 218 N 0.86 1.19 -0.66 1.13 5.75 -1.30 -1.81 115.11 120.27 3k4f h GLN 218 Ca 0.22 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 3k4f h GLN 218 Cb 0.05 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 3k4f h GLN 218 CO -0.04 0.96 0.26 1.49 -2.65 0.00 0.00 178.83 178.86 3k4f h GLU 219 N 1.16 0.99 -0.29 1.69 4.81 -0.92 -1.83 114.58 120.19 3k4f h GLU 219 Ca 0.26 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 3k4f h GLU 219 Cb 0.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3k4f h GLU 219 CO -0.02 0.83 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.74 3k4f h LEU 220 N 0.94 0.59 -0.21 1.64 3.38 -1.00 -3.25 115.31 117.41 3k4f h LEU 220 Ca 0.22 -0.22 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3k4f h LEU 220 Cb 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3k4f h LEU 220 CO -0.02 0.85 -0.87 -0.07 0.09 0.00 0.00 178.44 178.42 3k4f h LEU 221 N 0.50 0.63 -3.95 1.67 3.38 -1.13 -3.20 115.31 113.21 3k4f h LEU 221 Ca 0.07 -0.46 -0.25 0.00 0.09 0.00 0.00 57.88 57.33 3k4f h LEU 221 Cb 0.75 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 3k4f h LEU 221 CO 0.06 1.25 -0.09 0.35 0.09 0.00 0.00 178.44 180.10 3k4f n THR 222 N -3.81 2.92 -1.87 0.22 -2.24 -0.71 -5.11 114.28 103.68 3k4f n THR 222 Ca -0.07 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 3k4f n THR 222 Cb 0.79 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 3k4f n THR 222 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07