#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk3 h GLN 11 N 0.00 0.63 -6.26 -0.52 3.07 -2.01 -3.43 115.11 106.58 1xk3 h GLN 11 Ca 0.00 -0.85 -0.55 0.00 0.09 0.00 0.00 58.65 57.34 1xk3 h GLN 11 Cb 0.00 0.28 -0.02 0.00 0.08 0.00 0.00 27.48 27.83 1xk3 h GLN 11 CO 0.00 1.39 0.98 -0.51 0.09 0.00 0.00 178.83 180.79 1xk3 s ASP 12 N -7.45 6.78 0.19 0.06 1.01 -1.26 -4.91 116.67 111.09 1xk3 s ASP 12 Ca -0.09 2.07 -0.13 0.00 0.71 0.00 0.00 52.55 55.11 1xk3 s ASP 12 Cb 0.05 -2.54 0.21 0.00 1.01 0.00 0.00 42.92 41.66 1xk3 s ASP 12 CO 0.94 -0.84 1.69 0.25 0.21 0.00 0.00 175.17 177.42 1xk3 h LEU 13 N 9.66 -0.12 -0.39 1.23 5.85 -1.90 0.46 115.31 130.11 1xk3 h LEU 13 Ca -0.35 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.52 1xk3 h LEU 13 Cb 1.16 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1xk3 h LEU 13 CO 0.95 -0.03 0.13 0.77 -0.34 0.00 0.00 178.44 179.92 1xk3 h SER 14 N 0.17 0.14 -0.19 1.25 4.64 -1.90 0.51 113.55 118.17 1xk3 h SER 14 Ca 0.27 0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.54 1xk3 h SER 14 Cb 0.39 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1xk3 h SER 14 CO -0.39 0.11 -0.16 -0.08 -0.87 0.00 0.00 176.83 175.44 1xk3 h GLU 15 N 0.29 0.60 -0.48 4.77 4.81 -1.74 -2.10 114.58 120.73 1xk3 h GLU 15 Ca 0.18 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1xk3 h GLU 15 Cb 0.16 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1xk3 h GLU 15 CO -0.18 0.73 0.02 0.00 -0.73 0.00 0.00 179.01 178.85 1xk3 h ALA 16 N 1.29 0.65 0.30 2.92 0.00 0.11 -2.50 119.26 122.03 1xk3 h ALA 16 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1xk3 h ALA 16 Cb 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xk3 h ALA 16 CO 0.04 0.44 -0.14 -0.07 0.00 0.00 0.00 179.25 179.52 1xk3 h LEU 17 N 0.71 -0.34 -0.68 0.00 3.38 0.24 -1.94 115.31 116.68 1xk3 h LEU 17 Ca 0.14 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1xk3 h LEU 17 Cb 0.49 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1xk3 h LEU 17 CO 0.02 -0.18 0.24 0.50 0.09 0.00 0.00 178.44 179.11 1xk3 h LYS 18 N -0.47 0.39 -0.45 1.13 3.64 -1.36 -0.80 116.57 118.64 1xk3 h LYS 18 Ca -0.04 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1xk3 h LYS 18 Cb 0.36 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1xk3 h LYS 18 CO 0.07 0.26 -0.28 1.49 -2.27 0.00 0.00 179.45 178.71 1xk3 h GLU 19 N 0.40 0.99 -0.01 1.90 4.81 -1.37 -2.99 114.58 118.30 1xk3 h GLU 19 Ca 0.36 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1xk3 h GLU 19 Cb 0.51 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1xk3 h GLU 19 CO -0.37 1.13 -0.49 0.00 -0.73 0.00 0.00 179.01 178.55 1xk3 h ALA 20 N 0.83 1.16 -0.60 2.92 0.00 -0.73 -3.13 119.26 119.71 1xk3 h ALA 20 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xk3 h ALA 20 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1xk3 h ALA 20 CO 0.08 0.62 0.00 0.25 0.00 0.00 0.00 179.25 180.20 1xk3 n THR 21 N -3.95 1.69 0.05 0.00 -2.24 -0.36 -4.47 114.28 105.00 1xk3 n THR 21 Ca -0.02 -1.08 -0.13 0.00 -2.27 0.00 0.00 64.05 60.56 1xk3 n THR 21 Cb 0.51 0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 1xk3 n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xk3 h LYS 22 N 3.79 -0.08 0.12 -0.78 3.64 -1.46 -0.98 116.57 120.81 1xk3 h LYS 22 Ca 0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1xk3 h LYS 22 Cb 1.37 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1xk3 h LYS 22 CO 0.22 0.11 -0.27 1.49 -2.27 0.00 0.00 179.45 178.72 1xk3 h GLU 23 N -0.26 -0.47 -0.62 1.90 4.81 -1.83 -2.15 114.58 115.96 1xk3 h GLU 23 Ca -0.01 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1xk3 h GLU 23 Cb 0.23 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1xk3 h GLU 23 CO 0.01 -0.31 0.23 -0.39 -0.73 0.00 0.00 179.01 177.83 1xk3 h VAL 24 N -0.49 1.22 -0.66 0.32 -1.51 -1.84 -1.44 116.25 111.85 1xk3 h VAL 24 Ca 0.03 -0.72 -0.02 0.00 -1.23 0.00 0.00 66.70 64.76 1xk3 h VAL 24 Cb 0.51 0.50 -0.03 0.00 -2.13 0.00 0.00 31.29 30.14 1xk3 h VAL 24 CO -0.16 0.28 0.33 -0.74 -1.23 0.00 0.00 177.57 176.05 1xk3 h HIS 25 N 0.90 0.95 -0.23 5.19 -0.00 -0.94 0.19 115.15 121.22 1xk3 h HIS 25 Ca 0.21 -0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.46 1xk3 h HIS 25 Cb 0.20 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 1xk3 h HIS 25 CO 0.01 0.71 -0.17 1.15 -0.00 0.00 0.00 177.93 179.63 1xk3 h THR 26 N 0.92 1.23 -0.50 6.26 2.02 -1.07 -0.24 112.91 121.53 1xk3 h THR 26 Ca 0.23 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.29 1xk3 h THR 26 Cb 0.11 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1xk3 h THR 26 CO -0.03 0.33 0.02 -0.61 0.37 0.00 0.00 175.52 175.60 1xk3 h GLN 27 N 0.36 0.83 -0.44 6.66 4.15 -0.16 0.14 115.11 126.65 1xk3 h GLN 27 Ca 0.06 -0.22 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 1xk3 h GLN 27 Cb 0.52 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1xk3 h GLN 27 CO 0.03 0.82 -0.22 0.00 -1.93 0.00 0.00 178.83 177.54 1xk3 h ALA 28 N 1.24 0.79 -0.03 3.38 0.00 0.51 -1.91 119.26 123.24 1xk3 h ALA 28 Ca 0.15 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1xk3 h ALA 28 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xk3 h ALA 28 CO 0.02 0.65 -0.48 0.93 0.00 0.00 0.00 179.25 180.37 1xk3 h GLU 29 N 0.76 0.08 0.00 0.00 5.08 -0.47 -2.88 114.58 117.15 1xk3 h GLU 29 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xk3 h GLU 29 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1xk3 h GLU 29 CO 0.06 0.54 0.00 0.09 -1.00 0.00 0.00 179.01 178.71 1xk3 n ASN 30 N -3.97 0.82 -4.64 1.42 3.02 0.44 -3.89 115.26 108.47 1xk3 n ASN 30 Ca -0.02 0.58 -0.44 0.00 -0.03 0.00 0.00 54.58 54.67 1xk3 n ASN 30 Cb 0.51 -0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 1xk3 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xk3 n ALA 31 N -1.79 0.43 -0.02 5.41 0.00 -0.75 -4.66 120.51 119.12 1xk3 n ALA 31 Ca 0.05 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 1xk3 n ALA 31 Cb 0.42 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 1xk3 n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xk3 h GLU 32 N 2.71 -0.38 -0.60 0.00 4.81 -1.90 0.48 114.58 119.69 1xk3 h GLU 32 Ca -0.43 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.94 1xk3 h GLU 32 Cb 1.31 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.69 1xk3 h GLU 32 CO 0.65 -0.25 0.14 0.35 -0.73 0.00 0.00 179.01 179.17 1xk3 h PHE 33 N -0.39 0.22 0.00 0.92 3.57 -1.90 -1.09 116.94 118.27 1xk3 h PHE 33 Ca 0.11 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 1xk3 h PHE 33 Cb 0.57 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1xk3 h PHE 33 CO -0.46 -0.02 -0.60 0.52 -2.23 0.00 0.00 178.31 175.52 1xk3 h MET 34 N 0.27 0.00 0.82 1.11 2.86 -1.64 -2.38 114.93 115.98 1xk3 h MET 34 Ca 0.32 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.92 1xk3 h MET 34 Cb 0.47 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.13 1xk3 h MET 34 CO -0.40 0.60 -0.39 0.00 1.06 0.00 0.00 176.91 177.78 1xk3 h ARG 35 N 0.00 -1.06 -0.69 1.72 3.08 0.11 -1.06 114.38 116.48 1xk3 h ARG 35 Ca -0.01 0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.26 1xk3 h ARG 35 Cb 1.12 0.24 -0.10 0.00 0.08 0.00 0.00 29.97 31.32 1xk3 h ARG 35 CO 0.08 -0.71 0.18 -0.91 -1.07 0.00 0.00 179.97 177.54 1xk3 h ASN 36 N -1.11 0.05 -0.38 7.04 4.21 -1.30 0.22 115.58 124.32 1xk3 h ASN 36 Ca -0.11 0.13 0.08 0.00 1.21 0.00 0.00 56.30 57.60 1xk3 h ASN 36 Cb 0.85 0.16 -0.07 0.00 -1.12 0.00 0.00 38.32 38.14 1xk3 h ASN 36 CO 0.18 0.00 -0.10 0.15 -1.29 0.00 0.00 177.43 176.37 1xk3 h PHE 37 N 0.29 -0.22 -0.64 1.19 3.04 -1.04 0.56 116.94 120.12 1xk3 h PHE 37 Ca 0.38 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.30 1xk3 h PHE 37 Cb 0.61 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 1xk3 h PHE 37 CO -0.24 -0.17 0.14 1.96 -2.02 0.00 0.00 178.31 177.98 1xk3 h GLN 38 N -0.01 1.02 -1.01 1.11 4.20 0.16 -1.77 115.11 118.81 1xk3 h GLN 38 Ca 0.18 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1xk3 h GLN 38 Cb 0.29 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1xk3 h GLN 38 CO -0.39 0.92 0.00 1.63 -0.67 0.00 0.00 178.83 180.31 1xk3 n LYS 39 N -4.24 0.80 -0.73 1.46 5.02 -0.08 -4.74 118.16 115.65 1xk3 n LYS 39 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1xk3 n LYS 39 Cb 0.26 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1xk3 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xk3 n GLY 40 N 0.36 0.00 3.40 0.72 0.00 -0.66 -4.89 105.19 104.13 1xk3 n GLY 40 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1xk3 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xk3 s GLN 41 N -1.46 3.41 -0.07 1.61 -0.21 0.19 -4.80 119.66 118.32 1xk3 s GLN 41 Ca 0.00 -1.72 -0.06 0.00 0.02 0.00 0.00 55.36 53.60 1xk3 s GLN 41 Cb 0.00 -4.57 0.03 0.00 1.00 0.00 0.00 33.01 29.46 1xk3 s GLN 41 CO 0.00 -1.61 0.19 0.54 -2.12 0.00 0.00 175.29 172.29 1xk3 s VAL 42 N 2.24 -0.01 0.43 1.09 0.11 -1.26 -3.00 120.40 119.99 1xk3 s VAL 42 Ca 0.23 0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.41 1xk3 s VAL 42 Cb -0.12 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1xk3 s VAL 42 CO -0.03 0.02 0.51 0.42 -3.33 0.00 0.00 175.10 172.68 1xk3 s THR 43 N 0.45 2.80 0.20 5.04 -4.23 -1.26 -4.74 115.64 113.90 1xk3 s THR 43 Ca -0.03 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.26 1xk3 s THR 43 Cb -0.04 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 71.00 1xk3 s THR 43 CO -0.02 0.00 1.77 0.03 -0.54 0.00 0.00 174.62 175.86 1xk3 h ARG 44 N 0.76 1.12 -0.46 3.99 2.47 -1.94 0.76 114.38 121.08 1xk3 h ARG 44 Ca -0.40 -0.20 -0.11 0.00 -1.26 0.00 0.00 59.98 58.01 1xk3 h ARG 44 Cb 1.28 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 1xk3 h ARG 44 CO 0.50 0.92 -0.14 -0.44 0.56 0.00 0.00 179.97 181.37 1xk3 h ASP 45 N 1.08 0.86 -0.18 7.04 3.32 -1.99 -0.51 116.42 126.05 1xk3 h ASP 45 Ca 0.25 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1xk3 h ASP 45 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1xk3 h ASP 45 CO -0.02 1.00 -0.01 1.23 -1.72 0.00 0.00 179.24 179.72 1xk3 h GLY 46 N 0.96 0.34 1.29 2.75 0.00 -1.84 -2.45 103.07 104.12 1xk3 h GLY 46 Ca 0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1xk3 h GLY 46 CO 0.05 0.24 0.09 -2.75 0.00 0.00 0.00 176.54 174.17 1xk3 h PHE 47 N 0.06 0.93 -0.50 5.60 3.57 -0.75 -2.20 116.94 123.63 1xk3 h PHE 47 Ca 0.05 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1xk3 h PHE 47 Cb 0.41 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1xk3 h PHE 47 CO 0.04 0.80 0.31 0.87 -2.23 0.00 0.00 178.31 178.09 1xk3 h LYS 48 N 0.84 0.68 -0.95 1.11 1.57 -1.04 -1.42 116.57 117.36 1xk3 h LYS 48 Ca 0.17 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xk3 h LYS 48 Cb 0.37 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 1xk3 h LYS 48 CO 0.01 0.49 0.58 -0.07 -0.57 0.00 0.00 179.45 179.89 1xk3 h LEU 49 N 0.67 1.14 -0.64 2.94 3.38 -1.05 -1.28 115.31 120.47 1xk3 h LEU 49 Ca 0.18 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1xk3 h LEU 49 Cb -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1xk3 h LEU 49 CO -0.03 0.87 -0.51 1.62 0.09 0.00 0.00 178.44 180.48 1xk3 h VAL 50 N 1.31 1.33 -0.43 1.22 3.04 -1.08 -1.94 116.25 119.69 1xk3 h VAL 50 Ca 0.34 -1.74 -0.11 0.00 -1.01 0.00 0.00 66.70 64.18 1xk3 h VAL 50 Cb -0.07 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1xk3 h VAL 50 CO -0.07 0.53 -0.16 0.24 -1.01 0.00 0.00 177.57 177.10 1xk3 h MET 51 N 0.36 0.87 -0.76 4.17 2.86 -0.93 -1.76 114.93 119.74 1xk3 h MET 51 Ca 0.01 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.24 1xk3 h MET 51 Cb 1.01 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1xk3 h MET 51 CO 0.09 1.00 0.27 0.00 1.06 0.00 0.00 176.91 179.34 1xk3 h ALA 52 N 0.84 1.04 0.13 6.32 0.00 -1.16 -1.24 119.26 125.19 1xk3 h ALA 52 Ca 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xk3 h ALA 52 Cb 0.72 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xk3 h ALA 52 CO 0.05 0.66 -0.08 0.77 0.00 0.00 0.00 179.25 180.66 1xk3 h SER 53 N 1.12 -0.20 -0.83 0.00 0.02 -1.19 -2.53 113.55 109.95 1xk3 h SER 53 Ca 0.25 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.30 1xk3 h SER 53 Cb 0.26 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 1xk3 h SER 53 CO -0.01 -0.13 0.48 -0.07 -1.14 0.00 0.00 176.83 175.95 1xk3 h LEU 54 N -0.21 0.69 -0.26 5.07 3.38 -1.03 -0.44 115.31 122.52 1xk3 h LEU 54 Ca -0.01 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1xk3 h LEU 54 Cb 0.17 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1xk3 h LEU 54 CO 0.01 0.40 0.03 0.22 0.09 0.00 0.00 178.44 179.20 1xk3 h TYR 55 N 0.81 0.05 -0.57 1.13 3.20 -0.95 0.03 116.97 120.67 1xk3 h TYR 55 Ca 0.39 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.22 1xk3 h TYR 55 Cb 0.34 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1xk3 h TYR 55 CO -0.06 0.00 0.13 0.45 -1.64 0.00 0.00 178.16 177.05 1xk3 h HIS 56 N 0.13 0.96 -0.14 -3.82 3.86 -0.94 -1.37 115.15 113.83 1xk3 h HIS 56 Ca 0.12 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1xk3 h HIS 56 Cb 0.13 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1xk3 h HIS 56 CO -0.17 0.83 0.06 0.82 0.86 0.00 0.00 177.93 180.32 1xk3 h ILE 57 N 0.82 1.14 0.00 2.45 2.04 -0.83 -2.59 117.51 120.55 1xk3 h ILE 57 Ca 0.18 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 1xk3 h ILE 57 Cb 0.35 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1xk3 h ILE 57 CO 0.00 0.13 -0.47 1.88 0.00 0.00 0.00 178.15 179.70 1xk3 h TYR 58 N 0.08 0.00 -0.28 1.37 0.05 -0.97 -0.77 116.97 116.44 1xk3 h TYR 58 Ca 0.05 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1xk3 h TYR 58 Cb 0.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1xk3 h TYR 58 CO -0.02 0.47 0.08 0.28 -1.05 0.00 0.00 178.16 177.92 1xk3 h VAL 59 N 0.00 1.21 -0.30 -2.88 2.07 -1.12 -0.50 116.25 114.73 1xk3 h VAL 59 Ca -0.00 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1xk3 h VAL 59 Cb 0.91 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1xk3 h VAL 59 CO 0.06 0.23 -0.03 0.00 0.02 0.00 0.00 177.57 177.85 1xk3 h ALA 60 N 0.91 0.40 -0.49 1.67 0.00 -1.28 -1.66 119.26 118.81 1xk3 h ALA 60 Ca 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1xk3 h ALA 60 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xk3 h ALA 60 CO -0.00 0.18 0.15 1.25 0.00 0.00 0.00 179.25 180.83 1xk3 h LEU 61 N 0.32 0.72 -0.51 0.00 5.85 -1.09 -1.99 115.31 118.62 1xk3 h LEU 61 Ca 0.08 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1xk3 h LEU 61 Cb 0.48 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1xk3 h LEU 61 CO 0.02 0.74 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.46 1xk3 h GLU 62 N 0.66 0.00 -0.14 1.25 5.08 -1.10 -0.46 114.58 119.88 1xk3 h GLU 62 Ca 0.16 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1xk3 h GLU 62 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xk3 h GLU 62 CO -0.00 0.07 -0.19 1.49 -1.00 0.00 0.00 179.01 179.38 1xk3 h GLU 63 N 0.00 0.38 0.00 2.33 4.81 -1.06 -2.64 114.58 118.40 1xk3 h GLU 63 Ca -0.00 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 1xk3 h GLU 63 Cb 0.88 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1xk3 h GLU 63 CO 0.01 0.80 -0.47 0.93 -0.73 0.00 0.00 179.01 179.55 1xk3 h GLU 64 N -0.02 0.00 -0.33 1.92 4.39 -1.13 -2.66 114.58 116.75 1xk3 h GLU 64 Ca 0.02 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1xk3 h GLU 64 Cb 0.75 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1xk3 h GLU 64 CO 0.05 0.47 -0.22 0.82 -1.16 0.00 0.00 179.01 178.96 1xk3 h ILE 65 N 0.00 1.29 -0.07 3.13 2.04 -1.05 -2.47 117.51 120.38 1xk3 h ILE 65 Ca -0.00 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 1xk3 h ILE 65 Cb 0.91 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1xk3 h ILE 65 CO 0.06 0.44 -0.17 -0.33 0.00 0.00 0.00 178.15 178.15 1xk3 h GLU 66 N 0.52 0.10 -0.10 2.37 4.39 -1.34 0.31 114.58 120.83 1xk3 h GLU 66 Ca 0.07 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 1xk3 h GLU 66 Cb 0.78 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1xk3 h GLU 66 CO 0.06 0.28 -0.51 -0.09 -1.16 0.00 0.00 179.01 177.60 1xk3 h ARG 67 N 0.10 0.27 -0.17 2.33 2.43 -1.27 -3.26 114.38 114.80 1xk3 h ARG 67 Ca 0.02 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1xk3 h ARG 67 Cb 0.37 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1xk3 h ARG 67 CO 0.02 0.72 0.00 0.09 -1.51 0.00 0.00 179.97 179.29 1xk3 n ASN 68 N -3.95 3.14 0.10 -3.80 3.02 -0.80 -4.74 115.26 108.23 1xk3 n ASN 68 Ca -0.02 -2.81 0.15 0.00 -0.03 0.00 0.00 54.58 51.87 1xk3 n ASN 68 Cb 0.55 -0.42 0.66 0.00 -0.61 0.00 0.00 39.78 39.96 1xk3 n ASN 68 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1xk3 h LYS 69 N 1.15 0.03 -0.02 3.52 2.10 -0.46 -1.87 116.57 121.03 1xk3 h LYS 69 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xk3 h LYS 69 Cb 1.13 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1xk3 h LYS 69 CO 0.11 0.02 -0.22 0.39 -2.00 0.00 0.00 179.45 177.74 1xk3 n GLU 70 N -4.45 1.55 -2.46 0.07 1.02 -1.26 -3.75 120.64 111.36 1xk3 n GLU 70 Ca 0.05 -1.19 -0.40 0.00 -0.02 0.00 0.00 57.16 55.60 1xk3 n GLU 70 Cb 0.38 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 1xk3 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xk3 s SER 71 N -2.27 7.20 0.02 1.62 0.15 -0.70 -4.81 113.70 114.91 1xk3 s SER 71 Ca 0.25 2.28 0.11 0.00 0.70 0.00 0.00 55.95 59.29 1xk3 s SER 71 Cb 0.19 -2.63 0.48 0.00 -1.71 0.00 0.00 66.02 62.35 1xk3 s SER 71 CO 0.45 -0.19 1.35 -0.81 1.20 0.00 0.00 173.24 175.23 1xk3 n PRO 72 N 1.07 0.01 0.00 5.44 -0.04 -1.26 0.36 135.00 140.58 1xk3 n PRO 72 Ca -0.01 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 1xk3 n PRO 72 Cb 0.45 -1.52 0.43 0.00 -0.04 0.00 0.00 33.50 32.82 1xk3 n PRO 72 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xk3 n VAL 73 N -1.54 0.00 0.00 0.52 0.24 -1.26 -4.49 118.33 111.80 1xk3 n VAL 73 Ca 0.02 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1xk3 n VAL 73 Cb 0.12 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1xk3 n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1xk3 n PHE 74 N -1.50 0.00 -0.29 6.34 7.35 -0.66 -4.77 117.46 123.93 1xk3 n PHE 74 Ca 0.06 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.94 1xk3 n PHE 74 Cb 0.34 0.00 0.36 0.00 0.35 0.00 0.00 39.48 40.53 1xk3 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xk3 n ALA 75 N -1.13 0.62 0.29 3.13 0.00 0.16 -0.01 120.51 123.58 1xk3 n ALA 75 Ca 0.00 0.91 0.14 0.00 0.00 0.00 0.00 53.44 54.49 1xk3 n ALA 75 Cb 0.09 -0.76 0.88 0.00 0.00 0.00 0.00 19.45 19.66 1xk3 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xk3 h PRO 76 N 0.00 0.00 -0.39 0.00 0.11 -1.83 -2.18 132.00 127.71 1xk3 h PRO 76 Ca 0.61 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.59 1xk3 h PRO 76 Cb 1.43 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.46 1xk3 h PRO 76 CO -0.76 0.00 0.03 1.33 -0.21 0.00 0.00 178.00 178.40 1xk3 n VAL 77 N -3.93 2.52 -2.94 3.15 0.24 0.99 -4.81 118.33 113.54 1xk3 n VAL 77 Ca -0.03 -2.24 -0.43 0.00 -2.04 0.00 0.00 64.34 59.60 1xk3 n VAL 77 Cb 0.08 -0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.10 1xk3 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xk3 s TYR 78 N -3.06 2.88 -0.50 6.34 5.04 -0.82 -4.92 117.35 122.31 1xk3 s TYR 78 Ca 0.45 -0.16 0.07 0.00 -2.44 0.00 0.00 57.07 55.00 1xk3 s TYR 78 Cb 0.39 -3.89 0.26 0.00 0.35 0.00 0.00 41.96 39.06 1xk3 s TYR 78 CO 0.05 -1.24 0.63 1.19 -1.34 0.00 0.00 175.55 174.85 1xk3 n PHE 79 N 7.04 1.41 -0.14 4.97 3.72 -1.26 -4.99 117.46 128.22 1xk3 n PHE 79 Ca -0.01 -3.83 -0.04 0.00 -0.05 0.00 0.00 57.45 53.53 1xk3 n PHE 79 Cb 0.47 -0.44 0.04 0.00 -0.94 0.00 0.00 39.48 38.61 1xk3 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xk3 h PRO 80 N 4.01 0.29 -0.20 -1.08 0.13 -1.98 -1.94 132.00 131.24 1xk3 h PRO 80 Ca 0.13 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.06 1xk3 h PRO 80 Cb 0.78 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1xk3 h PRO 80 CO 0.63 0.19 -0.60 0.93 -0.23 0.00 0.00 178.00 178.92 1xk3 h GLU 81 N 0.30 0.67 -0.04 0.86 4.39 -1.97 -2.09 114.58 116.70 1xk3 h GLU 81 Ca 0.21 -0.45 -0.15 0.00 0.34 0.00 0.00 59.36 59.31 1xk3 h GLU 81 Cb 0.22 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1xk3 h GLU 81 CO -0.23 1.07 -0.65 0.93 -1.16 0.00 0.00 179.01 178.97 1xk3 h GLU 82 N 0.50 0.16 0.00 2.33 3.07 -1.78 -3.40 114.58 115.46 1xk3 h GLU 82 Ca -0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1xk3 h GLU 82 Cb 1.18 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1xk3 h GLU 82 CO 0.12 0.75 -1.17 1.28 -1.40 0.00 0.00 179.01 178.60 1xk3 n LEU 83 N -3.82 0.06 -4.63 1.33 4.77 -0.74 -4.58 117.00 109.39 1xk3 n LEU 83 Ca -0.02 -0.09 -0.46 0.00 -0.03 0.00 0.00 56.01 55.41 1xk3 n LEU 83 Cb 0.65 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1xk3 n LEU 83 CO 0.44 0.01 0.85 0.00 -1.33 0.00 0.00 177.39 177.37 1xk3 n HIS 84 N -1.66 1.76 0.02 -1.77 1.44 -0.79 -4.89 115.22 109.33 1xk3 n HIS 84 Ca -0.01 0.56 0.00 0.00 -2.01 0.00 0.00 57.72 56.26 1xk3 n HIS 84 Cb 0.18 -2.37 -0.01 0.00 0.12 0.00 0.00 29.99 27.91 1xk3 n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xk3 n ARG 85 N 1.72 2.63 -0.04 -1.40 5.12 -1.26 -4.79 116.66 118.64 1xk3 n ARG 85 Ca 0.12 -0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.94 1xk3 n ARG 85 Cb 0.29 -0.84 -0.03 0.00 -1.16 0.00 0.00 32.46 30.73 1xk3 n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1xk3 h LYS 86 N 0.00 -0.31 -0.91 5.56 3.64 -1.90 -0.49 116.57 122.17 1xk3 h LYS 86 Ca 0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1xk3 h LYS 86 Cb 0.03 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1xk3 h LYS 86 CO 0.00 -0.21 0.57 0.00 -2.27 0.00 0.00 179.45 177.55 1xk3 h ALA 87 N 0.60 1.25 -0.74 5.00 0.00 -2.00 -0.53 119.26 122.84 1xk3 h ALA 87 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xk3 h ALA 87 Cb 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xk3 h ALA 87 CO -0.39 0.35 0.34 0.00 0.00 0.00 0.00 179.25 179.54 1xk3 h ALA 88 N 1.42 0.96 -0.14 0.00 0.00 -1.61 -1.82 119.26 118.06 1xk3 h ALA 88 Ca 0.39 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1xk3 h ALA 88 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xk3 h ALA 88 CO -0.17 0.54 -0.41 -0.07 0.00 0.00 0.00 179.25 179.14 1xk3 h LEU 89 N 1.05 0.34 -0.11 0.00 3.38 -0.40 -0.95 115.31 118.62 1xk3 h LEU 89 Ca 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xk3 h LEU 89 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xk3 h LEU 89 CO -0.03 0.72 0.05 -0.33 0.09 0.00 0.00 178.44 178.95 1xk3 h GLU 90 N 0.27 0.16 -0.24 1.13 5.08 -0.70 0.31 114.58 120.59 1xk3 h GLU 90 Ca 0.02 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1xk3 h GLU 90 Cb 0.85 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1xk3 h GLU 90 CO 0.07 0.23 0.01 1.96 -1.00 0.00 0.00 179.01 180.28 1xk3 h GLN 91 N 0.05 0.08 -0.18 2.33 1.08 -1.13 -2.01 115.11 115.34 1xk3 h GLN 91 Ca 0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1xk3 h GLN 91 Cb 0.13 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1xk3 h GLN 91 CO -0.00 0.06 0.12 -0.44 -0.95 0.00 0.00 178.83 177.61 1xk3 h ASP 92 N 0.09 0.20 0.30 1.46 3.45 -0.79 -2.72 116.42 118.41 1xk3 h ASP 92 Ca 0.11 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.52 1xk3 h ASP 92 Cb 0.14 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1xk3 h ASP 92 CO -0.18 0.15 -0.22 -0.07 -1.57 0.00 0.00 179.24 177.35 1xk3 h LEU 93 N 0.23 0.00 -1.83 1.55 3.38 -0.26 -0.00 115.31 118.39 1xk3 h LEU 93 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1xk3 h LEU 93 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xk3 h LEU 93 CO -0.01 0.22 -0.14 0.00 0.09 0.00 0.00 178.44 178.60 1xk3 h ALA 94 N 1.78 1.29 0.00 1.53 0.00 -1.04 0.12 119.26 122.94 1xk3 h ALA 94 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1xk3 h ALA 94 Cb 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xk3 h ALA 94 CO 0.03 0.17 -0.35 0.35 0.00 0.00 0.00 179.25 179.45 1xk3 h PHE 95 N 0.00 0.00 -0.59 0.00 3.57 -0.94 -2.34 116.94 116.64 1xk3 h PHE 95 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1xk3 h PHE 95 Cb 0.37 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1xk3 h PHE 95 CO 0.00 0.91 0.00 -1.49 -2.23 0.00 0.00 178.31 175.51 1xk3 h TRP 96 N -1.00 1.12 -0.01 0.41 4.06 -1.05 -3.30 115.95 116.18 1xk3 h TRP 96 Ca -0.09 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1xk3 h TRP 96 Cb 0.90 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1xk3 h TRP 96 CO 0.16 0.99 -0.17 0.66 -3.56 0.00 0.00 178.44 176.52 1xk3 n TYR 97 N -4.18 0.00 0.00 0.49 4.01 0.41 -5.09 117.16 112.80 1xk3 n TYR 97 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1xk3 n TYR 97 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1xk3 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xk3 n GLY 98 N 0.90 -0.53 0.32 2.72 0.00 -0.88 -4.09 105.19 103.63 1xk3 n GLY 98 Ca 0.06 -1.77 0.18 0.00 0.00 0.00 0.00 46.02 44.49 1xk3 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xk3 h PRO 99 N 0.00 0.00 -0.56 1.61 0.13 -1.91 -1.66 132.00 129.62 1xk3 h PRO 99 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1xk3 h PRO 99 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1xk3 h PRO 99 CO 0.00 0.00 0.07 0.54 -0.23 0.00 0.00 178.00 178.38 1xk3 n ARG 100 N -3.52 4.16 -0.34 0.86 1.74 -1.26 -4.67 116.66 113.62 1xk3 n ARG 100 Ca -0.02 -3.10 0.22 0.00 -0.77 0.00 0.00 57.85 54.18 1xk3 n ARG 100 Cb 0.13 -2.17 0.46 0.00 -1.02 0.00 0.00 32.46 29.85 1xk3 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1xk3 h TRP 101 N 3.17 0.89 0.00 -1.55 5.08 -1.44 0.13 115.95 122.23 1xk3 h TRP 101 Ca 0.08 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.08 1xk3 h TRP 101 Cb 1.98 -0.25 -0.00 0.00 -3.00 0.00 0.00 29.16 27.90 1xk3 h TRP 101 CO 1.05 -0.04 -0.02 1.96 -1.28 0.00 0.00 178.44 180.11 1xk3 h GLN 102 N 0.43 0.00 0.00 0.12 1.08 -1.86 0.14 115.11 115.02 1xk3 h GLN 102 Ca 0.68 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.67 1xk3 h GLN 102 Cb 1.52 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.92 1xk3 h GLN 102 CO -0.48 0.02 -1.17 0.93 -0.95 0.00 0.00 178.83 177.18 1xk3 h GLU 103 N 0.00 0.00 0.00 1.46 5.08 -1.11 -3.39 114.58 116.61 1xk3 h GLU 103 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xk3 h GLU 103 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xk3 h GLU 103 CO 0.00 0.71 -1.59 1.33 -1.00 0.00 0.00 179.01 178.46 1xk3 n VAL 104 N -3.20 0.00 -1.74 3.13 0.24 -0.83 -5.00 118.33 110.93 1xk3 n VAL 104 Ca -0.05 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 1xk3 n VAL 104 Cb 0.93 0.23 -0.01 0.00 -1.47 0.00 0.00 33.84 33.53 1xk3 n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1xk3 n ILE 105 N -1.96 1.78 -2.36 1.34 -5.35 0.42 -4.94 119.36 108.29 1xk3 n ILE 105 Ca -0.02 -0.45 -0.33 0.00 -0.27 0.00 0.00 62.75 61.68 1xk3 n ILE 105 Cb 0.37 -1.82 -0.02 0.00 -1.74 0.00 0.00 39.64 36.44 1xk3 n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1xk3 s PRO 106 N -1.69 3.66 -0.38 6.28 0.04 -1.26 -5.02 135.00 136.63 1xk3 s PRO 106 Ca 0.56 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1xk3 s PRO 106 Cb -0.52 -2.08 0.15 0.00 0.04 0.00 0.00 34.50 32.09 1xk3 s PRO 106 CO 0.60 -0.54 0.25 -0.47 0.04 0.00 0.00 177.00 176.88 1xk3 s TYR 107 N -2.22 1.01 0.65 0.56 5.04 -1.26 -4.82 117.35 116.31 1xk3 s TYR 107 Ca 0.65 -1.91 -0.10 0.00 -2.44 0.00 0.00 57.07 53.27 1xk3 s TYR 107 Cb -0.15 -1.07 -0.01 0.00 0.35 0.00 0.00 41.96 41.08 1xk3 s TYR 107 CO 0.27 -0.82 1.03 0.95 -1.34 0.00 0.00 175.55 175.64 1xk3 s THR 108 N 0.70 4.02 0.28 4.34 -4.23 -1.26 -4.88 115.64 114.61 1xk3 s THR 108 Ca 0.21 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.25 1xk3 s THR 108 Cb -0.17 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.32 1xk3 s THR 108 CO -0.04 -0.80 1.86 -0.65 -0.54 0.00 0.00 174.62 174.45 1xk3 h PRO 109 N -0.41 1.05 -0.31 3.99 0.11 -2.00 0.62 132.00 135.04 1xk3 h PRO 109 Ca -0.45 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1xk3 h PRO 109 Cb 1.23 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1xk3 h PRO 109 CO 0.63 0.69 -0.21 0.00 -0.21 0.00 0.00 178.00 178.90 1xk3 h ALA 110 N 1.50 1.06 -0.35 -0.75 0.00 -1.94 -0.62 119.26 118.16 1xk3 h ALA 110 Ca 0.46 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1xk3 h ALA 110 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xk3 h ALA 110 CO -0.21 0.57 -0.22 0.52 0.00 0.00 0.00 179.25 179.91 1xk3 h MET 111 N 0.52 0.76 -0.35 0.00 2.86 -1.63 -2.92 114.93 114.16 1xk3 h MET 111 Ca 0.08 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1xk3 h MET 111 Cb 0.65 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1xk3 h MET 111 CO 0.05 0.97 0.10 1.96 1.06 0.00 0.00 176.91 181.05 1xk3 h GLN 112 N 0.54 0.50 -0.31 1.72 4.20 -0.58 -0.50 115.11 120.68 1xk3 h GLN 112 Ca 0.07 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1xk3 h GLN 112 Cb 0.77 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1xk3 h GLN 112 CO 0.06 0.46 -0.34 -0.09 -0.67 0.00 0.00 178.83 178.25 1xk3 h ARG 113 N 0.50 0.69 -0.02 1.46 2.43 -1.04 0.63 114.38 119.03 1xk3 h ARG 113 Ca 0.12 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1xk3 h ARG 113 Cb 0.17 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1xk3 h ARG 113 CO -0.01 0.93 -0.03 -0.92 -1.51 0.00 0.00 179.97 178.43 1xk3 h TYR 114 N 0.58 0.06 -0.93 2.20 5.03 -1.25 -2.45 116.97 120.22 1xk3 h TYR 114 Ca 0.06 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.37 1xk3 h TYR 114 Cb 0.85 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.07 1xk3 h TYR 114 CO 0.04 0.56 0.61 0.28 -1.32 0.00 0.00 178.16 178.33 1xk3 h VAL 115 N -0.45 1.22 -0.60 1.81 2.07 -1.05 -1.96 116.25 117.28 1xk3 h VAL 115 Ca 0.00 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1xk3 h VAL 115 Cb 0.55 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1xk3 h VAL 115 CO 0.01 0.22 0.07 0.50 0.02 0.00 0.00 177.57 178.40 1xk3 h LYS 116 N 1.23 1.01 -0.41 1.57 3.64 -0.84 -2.10 116.57 120.67 1xk3 h LYS 116 Ca 0.35 -0.28 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 1xk3 h LYS 116 Cb -0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1xk3 h LYS 116 CO -0.08 0.96 -0.18 -0.09 -2.27 0.00 0.00 179.45 177.79 1xk3 h ARG 117 N 0.91 0.78 -0.66 1.90 9.65 -1.05 -2.11 114.38 123.80 1xk3 h ARG 117 Ca 0.18 -0.29 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1xk3 h ARG 117 Cb 0.46 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 1xk3 h ARG 117 CO 0.02 0.90 0.44 -0.07 2.80 0.00 0.00 179.97 184.06 1xk3 h LEU 118 N 0.69 0.75 -0.32 3.80 3.38 -1.13 -1.00 115.31 121.48 1xk3 h LEU 118 Ca 0.10 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1xk3 h LEU 118 Cb 0.68 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xk3 h LEU 118 CO 0.05 0.54 -0.43 0.45 0.09 0.00 0.00 178.44 179.14 1xk3 h HIS 119 N 0.89 1.05 0.03 1.13 3.86 -1.21 -1.46 115.15 119.44 1xk3 h HIS 119 Ca 0.25 -0.34 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1xk3 h HIS 119 Cb -0.09 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 1xk3 h HIS 119 CO -0.03 1.16 -0.06 0.93 0.86 0.00 0.00 177.93 180.79 1xk3 h GLU 120 N 0.65 -0.11 0.41 2.45 5.08 -1.18 0.30 114.58 122.18 1xk3 h GLU 120 Ca 0.04 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1xk3 h GLU 120 Cb 1.03 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1xk3 h GLU 120 CO 0.10 -0.07 -0.40 0.28 -1.00 0.00 0.00 179.01 177.92 1xk3 h VAL 121 N -0.11 0.19 0.00 3.13 2.07 -1.18 0.41 116.25 120.77 1xk3 h VAL 121 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1xk3 h VAL 121 Cb 0.12 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1xk3 h VAL 121 CO -0.04 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.78 1xk3 h GLY 122 N -0.82 0.00 0.00 2.17 0.00 -1.08 0.17 103.07 103.50 1xk3 h GLY 122 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.03 1xk3 h GLY 122 CO -0.06 0.00 -2.00 0.54 0.00 0.00 0.00 176.54 175.02 1xk3 n ARG 123 N -2.33 1.19 0.00 4.80 1.74 0.08 -4.63 116.66 117.50 1xk3 n ARG 123 Ca -0.01 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1xk3 n ARG 123 Cb 0.05 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1xk3 n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xk3 n THR 124 N -2.73 0.00 -2.81 0.55 -2.24 0.14 -4.82 114.28 102.37 1xk3 n THR 124 Ca -0.27 -0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 1xk3 n THR 124 Cb 0.92 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1xk3 n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xk3 n GLU 125 N -1.15 1.58 -0.32 -0.78 1.02 0.45 -4.96 120.64 116.48 1xk3 n GLU 125 Ca 0.00 -3.60 0.18 0.00 -0.02 0.00 0.00 57.16 53.73 1xk3 n GLU 125 Cb 0.00 -1.60 0.38 0.00 -0.02 0.00 0.00 31.44 30.20 1xk3 n GLU 125 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1xk3 h PRO 126 N 2.94 0.24 0.00 3.49 0.11 -1.42 0.11 132.00 137.48 1xk3 h PRO 126 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1xk3 h PRO 126 Cb 1.03 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1xk3 h PRO 126 CO 0.57 0.16 0.02 -0.85 -0.21 0.00 0.00 178.00 177.69 1xk3 n GLU 127 N -5.16 0.00 0.00 1.05 0.00 -1.26 -0.69 120.64 114.57 1xk3 n GLU 127 Ca 0.26 0.48 0.10 0.00 0.00 0.00 0.00 57.16 58.00 1xk3 n GLU 127 Cb 0.83 -1.52 -0.08 0.00 0.00 0.00 0.00 31.44 30.67 1xk3 n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xk3 n LEU 128 N -1.48 1.29 -0.13 -1.84 4.77 0.40 -4.43 117.00 115.58 1xk3 n LEU 128 Ca 0.00 -0.58 0.08 0.00 -0.03 0.00 0.00 56.01 55.48 1xk3 n LEU 128 Cb 0.02 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.52 1xk3 n LEU 128 CO 0.00 0.28 1.20 0.25 -1.33 0.00 0.00 177.39 177.79 1xk3 h LEU 129 N 0.76 0.55 -2.07 2.23 5.85 -1.01 -0.61 115.31 121.01 1xk3 h LEU 129 Ca 0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1xk3 h LEU 129 Cb 0.56 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1xk3 h LEU 129 CO 0.00 0.35 0.21 1.62 -0.34 0.00 0.00 178.44 180.28 1xk3 h VAL 130 N 0.62 0.75 -0.44 1.05 3.04 -1.77 -0.34 116.25 119.16 1xk3 h VAL 130 Ca 0.29 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.89 1xk3 h VAL 130 Cb 0.33 0.85 -0.02 0.00 -2.01 0.00 0.00 31.29 30.44 1xk3 h VAL 130 CO -0.09 0.00 -0.09 0.00 -1.01 0.00 0.00 177.57 176.38 1xk3 h ALA 131 N 1.83 1.01 0.24 3.17 0.00 -1.39 -0.49 119.26 123.63 1xk3 h ALA 131 Ca 0.12 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 1xk3 h ALA 131 Cb 0.54 -0.18 0.04 0.00 0.00 0.00 0.00 17.79 18.19 1xk3 h ALA 131 CO -0.00 0.59 -1.38 0.45 0.00 0.00 0.00 179.25 178.92 1xk3 h HIS 132 N 0.71 0.90 -0.66 0.00 -0.00 -1.21 -2.46 115.15 112.44 1xk3 h HIS 132 Ca 0.12 -0.66 -0.01 0.00 -0.00 0.00 0.00 60.37 59.82 1xk3 h HIS 132 Cb 0.57 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.91 1xk3 h HIS 132 CO 0.03 1.53 0.36 0.00 -0.00 0.00 0.00 177.93 179.84 1xk3 h ALA 133 N 0.13 0.84 0.52 2.45 0.00 -1.15 -0.30 119.26 121.75 1xk3 h ALA 133 Ca -0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1xk3 h ALA 133 Cb 2.08 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.61 1xk3 h ALA 133 CO 0.25 0.36 -0.25 -0.92 0.00 0.00 0.00 179.25 178.69 1xk3 h TYR 134 N 0.90 -0.65 -0.33 0.00 3.20 -1.16 -0.93 116.97 118.00 1xk3 h TYR 134 Ca 0.23 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.14 1xk3 h TYR 134 Cb 0.04 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 1xk3 h TYR 134 CO -0.01 -0.37 0.06 1.15 -1.64 0.00 0.00 178.16 177.35 1xk3 h THR 135 N -0.78 0.82 0.13 1.81 2.02 -1.26 -2.12 112.91 113.53 1xk3 h THR 135 Ca -0.07 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1xk3 h THR 135 Cb 0.57 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1xk3 h THR 135 CO 0.12 0.03 -0.06 0.03 0.37 0.00 0.00 175.52 176.01 1xk3 h ARG 136 N 0.17 -0.16 0.34 6.66 2.47 -1.08 -2.97 114.38 119.81 1xk3 h ARG 136 Ca 0.16 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 1xk3 h ARG 136 Cb 0.18 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 1xk3 h ARG 136 CO -0.22 -0.11 -0.44 1.88 0.56 0.00 0.00 179.97 181.65 1xk3 h TYR 137 N -0.32 -1.24 -0.22 3.04 0.05 -1.26 0.81 116.97 117.84 1xk3 h TYR 137 Ca -0.02 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1xk3 h TYR 137 Cb 0.13 0.50 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1xk3 h TYR 137 CO 0.08 -0.56 -0.01 -0.07 -1.05 0.00 0.00 178.16 176.55 1xk3 h LEU 138 N -0.80 0.29 -0.04 3.88 4.07 -1.50 -0.46 115.31 120.75 1xk3 h LEU 138 Ca -0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1xk3 h LEU 138 Cb 0.72 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 1xk3 h LEU 138 CO -0.11 0.36 -0.02 1.23 -1.08 0.00 0.00 178.44 178.81 1xk3 h GLY 139 N 0.63 0.10 1.72 0.83 0.00 -1.34 -2.28 103.07 102.72 1xk3 h GLY 139 Ca 0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1xk3 h GLY 139 CO 0.01 0.08 -0.30 -0.55 0.00 0.00 0.00 176.54 175.78 1xk3 h ASP 140 N -0.31 0.33 0.41 0.19 3.32 -0.61 -1.87 116.42 117.87 1xk3 h ASP 140 Ca 0.01 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1xk3 h ASP 140 Cb 0.47 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1xk3 h ASP 140 CO 0.01 0.62 -0.20 0.25 -1.72 0.00 0.00 179.24 178.20 1xk3 h LEU 141 N 0.29 -0.46 -1.14 1.55 5.85 -1.11 0.35 115.31 120.63 1xk3 h LEU 141 Ca 0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1xk3 h LEU 141 Cb 0.67 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1xk3 h LEU 141 CO 0.05 -0.05 0.00 0.77 -0.34 0.00 0.00 178.44 178.87 1xk3 h SER 142 N -0.99 0.00 0.00 1.25 4.64 -1.46 -3.07 113.55 113.92 1xk3 h SER 142 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1xk3 h SER 142 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1xk3 h SER 142 CO 0.09 0.00 -0.53 0.61 -0.87 0.00 0.00 176.83 176.14 1xk3 n GLY 143 N 0.04 -0.03 0.22 -0.77 0.00 -0.70 -4.71 105.19 99.24 1xk3 n GLY 143 Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1xk3 n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xk3 h GLY 144 N 2.54 0.43 -0.19 -0.02 0.00 -0.19 -2.65 103.07 102.99 1xk3 h GLY 144 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1xk3 h GLY 144 CO 0.00 -0.21 -0.40 1.46 0.00 0.00 0.00 176.54 177.38 1xk3 h GLN 145 N 0.01 -0.35 -0.63 4.80 7.50 -1.83 0.31 115.11 124.91 1xk3 h GLN 145 Ca 0.28 0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.50 1xk3 h GLN 145 Cb 0.42 0.08 -0.04 0.00 0.05 0.00 0.00 27.48 28.00 1xk3 h GLN 145 CO -0.58 -0.23 0.42 -0.39 -1.50 0.00 0.00 178.83 176.54 1xk3 h VAL 146 N -0.37 1.03 -0.22 -0.54 -1.51 -1.87 -0.04 116.25 112.73 1xk3 h VAL 146 Ca 0.04 -0.23 -0.20 0.00 -1.23 0.00 0.00 66.70 65.08 1xk3 h VAL 146 Cb 0.47 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 1xk3 h VAL 146 CO -0.37 0.12 -0.65 -0.07 -1.23 0.00 0.00 177.57 175.37 1xk3 h LEU 147 N 0.66 0.94 -0.03 4.19 3.38 -1.00 -2.94 115.31 120.51 1xk3 h LEU 147 Ca 0.27 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1xk3 h LEU 147 Cb 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xk3 h LEU 147 CO -0.08 1.35 -0.05 0.50 0.09 0.00 0.00 178.44 180.24 1xk3 h LYS 148 N 0.60 0.09 -0.63 1.13 3.64 0.11 -2.16 116.57 119.35 1xk3 h LYS 148 Ca -0.02 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.42 1xk3 h LYS 148 Cb 1.26 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.97 1xk3 h LYS 148 CO 0.14 0.61 -0.33 -0.22 -2.27 0.00 0.00 179.45 177.38 1xk3 h LYS 149 N -0.41 -0.13 0.37 1.90 3.64 -1.09 -0.07 116.57 120.78 1xk3 h LYS 149 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xk3 h LYS 149 Cb 0.60 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1xk3 h LYS 149 CO 0.01 -0.09 -0.33 0.82 -2.27 0.00 0.00 179.45 177.59 1xk3 h ILE 150 N -0.14 0.32 -0.39 2.00 2.04 -1.53 -2.86 117.51 116.96 1xk3 h ILE 150 Ca 0.25 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.19 1xk3 h ILE 150 Cb 0.55 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 1xk3 h ILE 150 CO -0.71 0.00 -0.36 0.00 0.00 0.00 0.00 178.15 177.09 1xk3 h ALA 151 N -0.23 -0.26 -0.31 1.87 0.00 -0.46 -0.39 119.26 119.47 1xk3 h ALA 151 Ca -0.03 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xk3 h ALA 151 Cb 0.63 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1xk3 h ALA 151 CO -0.04 -0.77 -0.02 -0.56 0.00 0.00 0.00 179.25 177.86 1xk3 h GLN 152 N -0.28 0.49 0.00 0.00 3.07 -1.07 0.54 115.11 117.85 1xk3 h GLN 152 Ca 0.16 -0.11 -0.00 0.00 0.09 0.00 0.00 58.65 58.79 1xk3 h GLN 152 Cb 0.56 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 1xk3 h GLN 152 CO -0.54 0.53 -0.12 0.87 0.09 0.00 0.00 178.83 179.67 1xk3 h LYS 153 N 0.47 0.00 0.00 0.06 1.79 -1.23 -2.95 116.57 114.71 1xk3 h LYS 153 Ca 0.10 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.31 1xk3 h LYS 153 Cb 0.34 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.94 1xk3 h LYS 153 CO 0.01 0.02 -1.82 0.00 -1.08 0.00 0.00 179.45 176.58 1xk3 n ALA 154 N -2.11 1.70 0.12 3.86 0.00 -0.19 -4.30 120.51 119.59 1xk3 n ALA 154 Ca 0.04 -0.84 0.07 0.00 0.00 0.00 0.00 53.44 52.70 1xk3 n ALA 154 Cb 0.54 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 19.31 1xk3 n ALA 154 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xk3 h LEU 155 N 0.00 0.00 -3.54 0.00 4.07 -0.01 -3.47 115.31 112.36 1xk3 h LEU 155 Ca -0.30 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.13 1xk3 h LEU 155 Cb 1.89 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.66 1xk3 h LEU 155 CO 0.05 0.27 -0.98 -0.67 -1.08 0.00 0.00 178.44 176.03 1xk3 n ASP 156 N -2.96 -4.53 -4.93 -0.43 2.03 -1.11 -4.94 116.55 99.68 1xk3 n ASP 156 Ca -0.01 -1.17 -0.25 0.00 0.52 0.00 0.00 54.79 53.88 1xk3 n ASP 156 Cb 0.66 -2.48 0.01 0.00 -0.72 0.00 0.00 41.12 38.59 1xk3 n ASP 156 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1xk3 s LEU 157 N -7.01 3.59 0.95 -2.67 2.34 -1.26 -5.08 118.68 109.54 1xk3 s LEU 157 Ca 0.47 0.59 -0.12 0.00 0.06 0.00 0.00 54.13 55.13 1xk3 s LEU 157 Cb -0.22 -3.47 0.16 0.00 -0.56 0.00 0.00 46.19 42.10 1xk3 s LEU 157 CO 0.92 -0.70 1.10 -2.16 -1.06 0.00 0.00 176.35 174.45 1xk3 s PRO 158 N -4.68 0.80 -0.61 1.48 0.04 -1.26 -4.86 135.00 125.91 1xk3 s PRO 158 Ca 0.48 0.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.02 1xk3 s PRO 158 Cb -0.10 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.47 1xk3 s PRO 158 CO 0.41 -2.49 3.23 0.43 0.04 0.00 0.00 177.00 178.61 1xk3 n SER 159 N -4.02 6.29 0.19 6.66 7.64 -1.26 -4.39 113.62 124.74 1xk3 n SER 159 Ca 0.06 -2.47 0.06 0.00 1.01 0.00 0.00 58.87 57.53 1xk3 n SER 159 Cb 0.57 -1.41 0.35 0.00 -1.01 0.00 0.00 64.21 62.72 1xk3 n SER 159 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1xk3 h SER 160 N 3.95 0.00 -0.12 6.43 4.64 -2.04 -3.47 113.55 122.95 1xk3 h SER 160 Ca 0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.71 1xk3 h SER 160 Cb 0.97 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1xk3 h SER 160 CO 0.84 0.35 -0.04 0.61 -0.87 0.00 0.00 176.83 177.72 1xk3 n GLY 161 N 0.21 0.53 3.79 -0.77 0.00 -1.26 -5.01 105.19 102.68 1xk3 n GLY 161 Ca -0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 1xk3 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xk3 s GLU 162 N -2.32 1.63 0.00 1.61 -1.05 -1.26 -4.98 118.70 112.33 1xk3 s GLU 162 Ca 0.00 -0.87 0.00 0.00 -0.15 0.00 0.00 54.97 53.95 1xk3 s GLU 162 Cb 0.00 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 1xk3 s GLU 162 CO 0.00 -0.75 0.00 0.41 0.95 0.00 0.00 175.26 175.87 1xk3 n GLY 163 N -0.45 1.69 0.52 -3.83 0.00 -1.26 -4.94 105.19 96.92 1xk3 n GLY 163 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1xk3 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xk3 n LEU 164 N 0.00 1.06 0.17 0.99 4.77 -1.26 -4.83 117.00 117.90 1xk3 n LEU 164 Ca 0.00 -2.00 0.17 0.00 -0.03 0.00 0.00 56.01 54.14 1xk3 n LEU 164 Cb 0.00 -0.17 0.78 0.00 -2.33 0.00 0.00 43.42 41.69 1xk3 n LEU 164 CO 0.00 0.52 1.15 0.00 -1.33 0.00 0.00 177.39 177.73 1xk3 h ALA 165 N 0.22 1.97 -0.48 -1.18 0.00 -1.92 -1.52 119.26 116.35 1xk3 h ALA 165 Ca -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xk3 h ALA 165 Cb 1.32 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1xk3 h ALA 165 CO 0.01 -0.33 0.33 0.35 0.00 0.00 0.00 179.25 179.61 1xk3 h PHE 166 N 0.00 0.34 -0.02 0.00 3.57 -1.88 -1.79 116.94 117.15 1xk3 h PHE 166 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1xk3 h PHE 166 Cb 0.54 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1xk3 h PHE 166 CO 0.00 0.17 0.00 1.19 -2.23 0.00 0.00 178.31 177.44 1xk3 n PHE 167 N -4.47 0.03 -4.43 0.41 3.72 -0.57 -4.72 117.46 107.43 1xk3 n PHE 167 Ca 0.07 -0.01 -0.30 0.00 -0.05 0.00 0.00 57.45 57.16 1xk3 n PHE 167 Cb 0.32 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.69 1xk3 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xk3 s THR 168 N -1.97 1.64 -0.63 4.37 2.01 -0.67 -4.76 115.64 115.63 1xk3 s THR 168 Ca 0.32 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.46 1xk3 s THR 168 Cb 0.15 -1.49 0.16 0.00 0.01 0.00 0.00 72.50 71.33 1xk3 s THR 168 CO 0.25 0.47 0.56 -0.36 -0.69 0.00 0.00 174.62 174.85 1xk3 s PHE 169 N 1.03 3.44 0.42 4.92 0.40 -1.26 -4.94 117.98 121.98 1xk3 s PHE 169 Ca -0.05 -1.63 0.12 0.00 -0.60 0.00 0.00 56.93 54.77 1xk3 s PHE 169 Cb -0.15 -3.75 0.89 0.00 0.51 0.00 0.00 43.02 40.52 1xk3 s PHE 169 CO -0.03 -1.00 1.95 -1.00 0.70 0.00 0.00 175.22 175.84 1xk3 h PRO 170 N 8.42 0.12 -0.69 0.24 0.13 -1.93 -2.99 132.00 135.31 1xk3 h PRO 170 Ca -0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1xk3 h PRO 170 Cb 1.07 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1xk3 h PRO 170 CO 0.92 0.28 0.00 0.09 -0.23 0.00 0.00 178.00 179.06 1xk3 n ASN 171 N -4.30 2.85 -3.84 1.44 5.03 -1.26 -4.65 115.26 110.53 1xk3 n ASN 171 Ca -0.01 -2.32 -0.30 0.00 0.87 0.00 0.00 54.58 52.82 1xk3 n ASN 171 Cb 0.26 -0.49 -0.16 0.00 -1.02 0.00 0.00 39.78 38.37 1xk3 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xk3 s ILE 172 N -1.75 1.19 0.17 2.41 1.01 -1.13 -4.58 121.20 118.53 1xk3 s ILE 172 Ca 0.25 -1.25 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 1xk3 s ILE 172 Cb 0.17 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1xk3 s ILE 172 CO 0.10 -0.35 1.51 0.00 0.00 0.00 0.00 174.94 176.19 1xk3 h ALA 173 N 8.02 0.66 -3.45 9.38 0.00 -1.85 -3.42 119.26 128.60 1xk3 h ALA 173 Ca -0.15 -0.47 -0.56 0.00 0.00 0.00 0.00 54.91 53.73 1xk3 h ALA 173 Cb 1.06 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.36 1xk3 h ALA 173 CO 0.42 0.67 -0.78 0.45 0.00 0.00 0.00 179.25 180.02 1xk3 s SER 174 N -6.88 3.35 0.10 0.00 0.15 -1.26 -5.03 113.70 104.13 1xk3 s SER 174 Ca -0.09 -0.98 -0.26 0.00 0.70 0.00 0.00 55.95 55.32 1xk3 s SER 174 Cb 0.11 -0.90 -0.12 0.00 -1.71 0.00 0.00 66.02 63.41 1xk3 s SER 174 CO 0.86 -0.26 1.68 0.00 1.20 0.00 0.00 173.24 176.72 1xk3 h ALA 175 N 8.10 -0.28 -0.31 5.45 0.00 -1.98 0.91 119.26 131.14 1xk3 h ALA 175 Ca -0.17 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1xk3 h ALA 175 Cb 1.10 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1xk3 h ALA 175 CO 0.38 -0.68 0.10 1.79 0.00 0.00 0.00 179.25 180.83 1xk3 h THR 176 N -0.31 0.90 -0.64 0.00 1.35 -1.98 0.30 112.91 112.52 1xk3 h THR 176 Ca 0.01 -0.08 0.02 0.00 -0.55 0.00 0.00 66.41 65.81 1xk3 h THR 176 Cb 0.30 0.65 -0.04 0.00 -1.73 0.00 0.00 68.15 67.34 1xk3 h THR 176 CO -0.04 0.04 0.40 0.50 -0.25 0.00 0.00 175.52 176.17 1xk3 h LYS 177 N 0.23 0.78 -0.38 4.72 1.63 -1.92 -1.90 116.57 119.73 1xk3 h LYS 177 Ca 0.14 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.78 1xk3 h LYS 177 Cb 0.12 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1xk3 h LYS 177 CO -0.15 0.52 -0.24 0.35 -3.45 0.00 0.00 179.45 176.47 1xk3 h PHE 178 N 0.80 0.86 -0.97 1.91 3.57 -0.37 -2.61 116.94 120.13 1xk3 h PHE 178 Ca 0.25 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1xk3 h PHE 178 Cb -0.02 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.47 1xk3 h PHE 178 CO -0.04 0.92 0.64 -0.22 -2.23 0.00 0.00 178.31 177.38 1xk3 h LYS 179 N 0.66 1.28 -0.00 1.11 3.64 -0.44 0.22 116.57 123.03 1xk3 h LYS 179 Ca 0.09 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1xk3 h LYS 179 Cb 0.75 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1xk3 h LYS 179 CO 0.06 0.85 -0.62 -0.56 -2.27 0.00 0.00 179.45 176.92 1xk3 h GLN 180 N 1.32 0.01 -0.05 1.90 3.07 -1.25 -0.34 115.11 119.78 1xk3 h GLN 180 Ca 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 59.07 1xk3 h GLN 180 Cb -0.14 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.42 1xk3 h GLN 180 CO -0.08 0.63 -0.03 1.25 0.09 0.00 0.00 178.83 180.70 1xk3 h LEU 181 N 0.01 0.11 -0.79 0.06 5.85 -0.92 -0.55 115.31 119.09 1xk3 h LEU 181 Ca -0.01 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1xk3 h LEU 181 Cb 1.09 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1xk3 h LEU 181 CO 0.08 0.50 0.50 0.22 -0.34 0.00 0.00 178.44 179.40 1xk3 h TYR 182 N -0.28 1.01 -0.28 1.25 5.03 -0.48 -0.51 116.97 122.71 1xk3 h TYR 182 Ca 0.01 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1xk3 h TYR 182 Cb 0.46 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 1xk3 h TYR 182 CO 0.07 0.66 0.13 0.93 -1.32 0.00 0.00 178.16 178.63 1xk3 h GLU 183 N 1.07 0.41 -0.64 1.82 5.08 -1.00 -0.83 114.58 120.49 1xk3 h GLU 183 Ca 0.28 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.67 1xk3 h GLU 183 Cb -0.08 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.03 1xk3 h GLU 183 CO -0.06 0.41 0.27 1.03 -1.00 0.00 0.00 179.01 179.67 1xk3 h SER 184 N 0.32 0.31 -0.18 1.42 0.87 -0.48 -0.58 113.55 115.22 1xk3 h SER 184 Ca 0.10 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1xk3 h SER 184 Cb 0.14 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1xk3 h SER 184 CO -0.01 0.18 -0.04 0.03 -0.53 0.00 0.00 176.83 176.46 1xk3 h ARG 185 N 0.48 0.48 -0.25 2.24 2.47 -0.64 -2.56 114.38 116.59 1xk3 h ARG 185 Ca 0.32 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.89 1xk3 h ARG 185 Cb 0.38 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1xk3 h ARG 185 CO -0.29 0.54 -0.02 0.52 0.56 0.00 0.00 179.97 181.27 1xk3 h MET 186 N 0.46 0.46 0.00 0.04 2.86 0.30 -2.61 114.93 116.44 1xk3 h MET 186 Ca 0.10 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1xk3 h MET 186 Cb 0.36 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1xk3 h MET 186 CO 0.01 0.65 0.00 0.09 1.06 0.00 0.00 176.91 178.72 1xk3 n ASN 187 N -4.60 0.00 0.04 1.22 3.02 -0.53 -1.37 115.26 113.04 1xk3 n ASN 187 Ca -0.04 0.34 0.12 0.00 -0.03 0.00 0.00 54.58 54.97 1xk3 n ASN 187 Cb 0.26 -0.41 0.18 0.00 -0.61 0.00 0.00 39.78 39.20 1xk3 n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xk3 n SER 188 N -1.41 0.62 -4.74 6.41 3.41 -0.99 -4.88 113.62 112.04 1xk3 n SER 188 Ca 0.04 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 1xk3 n SER 188 Cb 0.13 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1xk3 n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xk3 s LEU 189 N -3.83 4.39 -0.19 1.04 1.43 -0.47 -5.00 118.68 116.05 1xk3 s LEU 189 Ca 0.07 2.58 -0.13 0.00 -1.03 0.00 0.00 54.13 55.63 1xk3 s LEU 189 Cb 0.15 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1xk3 s LEU 189 CO 0.72 -0.67 0.27 -1.61 0.23 0.00 0.00 176.35 175.29 1xk3 s GLU 190 N -0.07 4.20 -0.10 1.70 0.41 -1.26 -5.07 118.70 118.51 1xk3 s GLU 190 Ca 0.60 0.01 -0.30 0.00 -0.41 0.00 0.00 54.97 54.88 1xk3 s GLU 190 Cb -0.41 -3.47 0.07 0.00 -1.78 0.00 0.00 34.13 28.54 1xk3 s GLU 190 CO 0.40 0.15 0.69 0.00 -0.49 0.00 0.00 175.26 176.01 1xk3 s MET 191 N 0.77 1.01 0.74 1.61 0.23 -1.26 -4.99 119.30 117.41 1xk3 s MET 191 Ca 0.14 0.41 -0.14 0.00 -1.03 0.00 0.00 55.69 55.08 1xk3 s MET 191 Cb -0.13 0.48 0.05 0.00 -1.53 0.00 0.00 34.83 33.69 1xk3 s MET 191 CO 0.04 -0.28 1.17 0.95 -2.03 0.00 0.00 175.02 174.87 1xk3 s THR 192 N -0.86 2.58 0.35 3.16 -4.23 -1.26 -4.71 115.64 110.67 1xk3 s THR 192 Ca -0.09 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 1xk3 s THR 192 Cb -0.01 -2.73 0.32 0.00 1.34 0.00 0.00 72.50 71.41 1xk3 s THR 192 CO 0.08 -0.18 1.87 -0.65 -0.54 0.00 0.00 174.62 175.20 1xk3 h PRO 193 N -0.50 0.70 0.08 3.99 0.11 -2.01 0.12 132.00 134.48 1xk3 h PRO 193 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xk3 h PRO 193 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xk3 h PRO 193 CO 0.50 0.46 -0.04 0.00 -0.21 0.00 0.00 178.00 178.71 1xk3 h ALA 194 N 1.59 -0.11 -0.45 -0.75 0.00 -2.00 -0.65 119.26 116.89 1xk3 h ALA 194 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1xk3 h ALA 194 Cb 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1xk3 h ALA 194 CO -0.21 -0.53 0.30 0.28 0.00 0.00 0.00 179.25 179.09 1xk3 h VAL 195 N -0.18 1.12 -0.89 0.00 2.07 -1.57 -1.19 116.25 115.61 1xk3 h VAL 195 Ca -0.01 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.40 1xk3 h VAL 195 Cb 0.15 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1xk3 h VAL 195 CO 0.02 0.12 0.51 -0.09 0.02 0.00 0.00 177.57 178.15 1xk3 h ARG 196 N 0.61 0.77 -0.49 1.57 2.43 -0.56 0.18 114.38 118.89 1xk3 h ARG 196 Ca 0.17 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1xk3 h ARG 196 Cb -0.06 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1xk3 h ARG 196 CO -0.04 0.51 0.17 1.96 -1.51 0.00 0.00 179.97 181.06 1xk3 h GLN 197 N 0.79 0.75 -0.03 0.20 4.20 -0.18 -2.02 115.11 118.82 1xk3 h GLN 197 Ca 0.45 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 1xk3 h GLN 197 Cb 0.51 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1xk3 h GLN 197 CO -0.29 0.70 -0.28 0.00 -0.67 0.00 0.00 178.83 178.28 1xk3 h ARG 198 N 0.65 0.05 -0.35 1.46 3.08 0.16 -0.11 114.38 119.33 1xk3 h ARG 198 Ca 0.16 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.02 1xk3 h ARG 198 Cb 0.25 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1xk3 h ARG 198 CO -0.01 0.33 -0.45 0.28 -1.07 0.00 0.00 179.97 179.05 1xk3 h VAL 199 N 0.05 1.27 -0.58 2.04 2.07 -0.44 0.12 116.25 120.78 1xk3 h VAL 199 Ca 0.01 -1.63 -0.11 0.00 0.82 0.00 0.00 66.70 65.79 1xk3 h VAL 199 Cb 0.53 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1xk3 h VAL 199 CO 0.04 0.54 -0.06 0.40 0.02 0.00 0.00 177.57 178.51 1xk3 h ILE 200 N 0.73 1.27 -0.41 4.57 2.04 -0.94 -1.49 117.51 123.27 1xk3 h ILE 200 Ca 0.04 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1xk3 h ILE 200 Cb 1.05 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1xk3 h ILE 200 CO 0.11 0.44 0.10 -0.33 0.00 0.00 0.00 178.15 178.46 1xk3 h GLU 201 N 0.94 0.65 -0.41 2.37 4.39 -0.87 -2.62 114.58 119.04 1xk3 h GLU 201 Ca 0.16 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1xk3 h GLU 201 Cb 0.63 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1xk3 h GLU 201 CO 0.04 0.67 0.27 1.49 -1.16 0.00 0.00 179.01 180.33 1xk3 h GLU 202 N 0.52 0.54 -0.61 2.33 4.57 -0.51 -0.26 114.58 121.16 1xk3 h GLU 202 Ca 0.13 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 1xk3 h GLU 202 Cb 0.31 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1xk3 h GLU 202 CO 0.00 0.36 0.10 0.00 -1.18 0.00 0.00 179.01 178.28 1xk3 h ALA 203 N 1.74 0.81 -0.63 2.92 0.00 -0.92 -0.16 119.26 123.02 1xk3 h ALA 203 Ca 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1xk3 h ALA 203 Cb -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1xk3 h ALA 203 CO -0.03 0.57 0.24 0.87 0.00 0.00 0.00 179.25 180.89 1xk3 h LYS 204 N 0.91 0.96 -0.75 0.00 1.57 -0.89 -1.88 116.57 116.49 1xk3 h LYS 204 Ca 0.18 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1xk3 h LYS 204 Cb 0.43 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1xk3 h LYS 204 CO 0.01 0.82 0.50 1.15 -0.57 0.00 0.00 179.45 181.36 1xk3 h THR 205 N 0.90 1.09 -0.34 -0.16 2.02 -0.55 -1.13 112.91 114.73 1xk3 h THR 205 Ca 0.21 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1xk3 h THR 205 Cb 0.23 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1xk3 h THR 205 CO -0.01 0.16 0.19 0.00 0.37 0.00 0.00 175.52 176.23 1xk3 h ALA 206 N 1.57 0.44 -0.81 6.16 0.00 -0.23 -0.90 119.26 125.49 1xk3 h ALA 206 Ca 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1xk3 h ALA 206 Cb 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1xk3 h ALA 206 CO -0.09 -0.03 0.39 0.74 0.00 0.00 0.00 179.25 180.26 1xk3 h PHE 207 N 0.43 1.16 -0.48 0.00 -1.00 -0.92 -2.10 116.94 114.04 1xk3 h PHE 207 Ca 0.12 -0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.80 1xk3 h PHE 207 Cb 0.05 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.23 1xk3 h PHE 207 CO -0.03 0.84 0.09 -0.07 -1.61 0.00 0.00 178.31 177.53 1xk3 h LEU 208 N 1.16 0.69 -0.85 1.54 3.38 -0.77 -0.10 115.31 120.35 1xk3 h LEU 208 Ca 0.28 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1xk3 h LEU 208 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xk3 h LEU 208 CO -0.04 0.70 -0.28 -0.07 0.09 0.00 0.00 178.44 178.84 1xk3 h LEU 209 N 0.71 0.54 -0.25 1.67 3.38 -0.69 -1.14 115.31 119.52 1xk3 h LEU 209 Ca 0.15 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1xk3 h LEU 209 Cb 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xk3 h LEU 209 CO 0.00 0.80 -0.56 0.78 0.09 0.00 0.00 178.44 179.56 1xk3 h ASN 210 N 0.46 0.92 -0.30 -0.43 2.35 -0.86 -2.55 115.58 115.15 1xk3 h ASN 210 Ca 0.06 -0.55 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 1xk3 h ASN 210 Cb 0.73 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1xk3 h ASN 210 CO 0.06 1.31 0.16 0.40 -1.65 0.00 0.00 177.43 177.70 1xk3 h ILE 211 N 0.57 1.14 0.00 2.81 2.04 -0.75 0.01 117.51 123.33 1xk3 h ILE 211 Ca 0.00 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1xk3 h ILE 211 Cb 1.17 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1xk3 h ILE 211 CO 0.12 0.14 -0.22 0.06 0.00 0.00 0.00 178.15 178.25 1xk3 h GLN 212 N 0.37 0.00 0.02 2.37 3.07 -1.26 -1.00 115.11 118.67 1xk3 h GLN 212 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.85 1xk3 h GLN 212 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1xk3 h GLN 212 CO -0.02 0.22 -0.01 1.25 0.09 0.00 0.00 178.83 180.37 1xk3 h LEU 213 N 0.00 -0.02 -0.65 0.06 5.85 -0.93 -1.84 115.31 117.78 1xk3 h LEU 213 Ca -0.00 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.39 1xk3 h LEU 213 Cb 0.49 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1xk3 h LEU 213 CO 0.03 0.37 0.37 -0.26 -0.34 0.00 0.00 178.44 178.61 1xk3 h PHE 214 N -0.41 0.68 -0.95 1.25 0.04 -0.55 0.02 116.94 117.02 1xk3 h PHE 214 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1xk3 h PHE 214 Cb 0.39 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.29 1xk3 h PHE 214 CO 0.06 0.34 0.61 0.93 -0.60 0.00 0.00 178.31 179.64 1xk3 h GLU 215 N 0.69 1.26 -0.24 1.51 5.08 -1.15 -1.24 114.58 120.50 1xk3 h GLU 215 Ca 0.29 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1xk3 h GLU 215 Cb 0.15 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1xk3 h GLU 215 CO -0.16 0.86 -0.10 1.49 -1.00 0.00 0.00 179.01 180.09 1xk3 h GLU 216 N 1.30 0.49 -0.78 2.33 4.81 -0.40 -2.49 114.58 119.84 1xk3 h GLU 216 Ca 0.34 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1xk3 h GLU 216 Cb -0.11 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1xk3 h GLU 216 CO -0.07 0.75 0.36 -0.07 -0.73 0.00 0.00 179.01 179.25 1xk3 h LEU 217 N 0.22 1.03 -0.79 1.64 3.38 -0.76 -1.34 115.31 118.68 1xk3 h LEU 217 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1xk3 h LEU 217 Cb 0.59 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1xk3 h LEU 217 CO 0.03 0.87 0.41 -0.61 0.09 0.00 0.00 178.44 179.24 1xk3 h GLN 218 N 1.12 1.12 -0.74 1.13 5.75 -1.20 -2.30 115.11 119.99 1xk3 h GLN 218 Ca 0.27 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1xk3 h GLN 218 Cb 0.13 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1xk3 h GLN 218 CO -0.03 0.84 0.35 1.49 -2.65 0.00 0.00 178.83 178.83 1xk3 h GLU 219 N 1.10 1.06 0.00 1.69 4.22 -0.91 -2.80 114.58 118.95 1xk3 h GLU 219 Ca 0.28 -0.16 -0.08 0.00 0.08 0.00 0.00 59.36 59.48 1xk3 h GLU 219 Cb 0.07 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1xk3 h GLU 219 CO -0.04 0.84 -0.36 -0.07 -2.18 0.00 0.00 179.01 177.19 1xk3 h LEU 220 N 1.03 0.00 0.00 1.64 3.38 -0.88 -3.10 115.31 117.38 1xk3 h LEU 220 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1xk3 h LEU 220 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xk3 h LEU 220 CO -0.03 0.36 -0.43 -0.07 0.09 0.00 0.00 178.44 178.36 1xk3 h LEU 221 N 0.00 0.00 -5.91 1.67 3.38 -1.19 -3.40 115.31 109.87 1xk3 h LEU 221 Ca -0.00 -0.12 -0.69 0.00 0.09 0.00 0.00 57.88 57.16 1xk3 h LEU 221 Cb 0.74 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.13 1xk3 h LEU 221 CO 0.05 0.06 0.07 0.35 0.09 0.00 0.00 178.44 179.06 1xk3 n THR 222 N -2.28 4.22 0.23 0.22 -2.24 -1.08 -5.11 114.28 108.25 1xk3 n THR 222 Ca 0.04 -5.71 0.03 0.00 -2.27 0.00 0.00 64.05 56.14 1xk3 n THR 222 Cb 0.45 -1.62 0.02 0.00 -2.10 0.00 0.00 70.33 67.08 1xk3 n THR 222 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91