#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk1 h GLN 11 N 0.00 -0.27 -6.92 -0.52 5.75 -2.03 -3.44 115.11 107.69 1xk1 h GLN 11 Ca 0.00 0.02 -0.53 0.00 -0.15 0.00 0.00 58.65 57.99 1xk1 h GLN 11 Cb 0.00 0.06 0.09 0.00 1.07 0.00 0.00 27.48 28.70 1xk1 h GLN 11 CO 0.00 -0.18 0.71 -0.51 -2.65 0.00 0.00 178.83 176.20 1xk1 s ASP 12 N -3.32 6.49 0.16 -0.69 1.01 -1.26 -4.90 116.67 114.17 1xk1 s ASP 12 Ca -0.04 2.88 -0.15 0.00 0.71 0.00 0.00 52.55 55.95 1xk1 s ASP 12 Cb 0.00 -2.66 0.06 0.00 1.01 0.00 0.00 42.92 41.33 1xk1 s ASP 12 CO 0.12 -0.75 1.80 0.25 0.21 0.00 0.00 175.17 176.80 1xk1 h LEU 13 N 3.10 0.38 -1.35 1.23 5.85 -1.87 -0.85 115.31 121.80 1xk1 h LEU 13 Ca -0.50 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.37 1xk1 h LEU 13 Cb 1.24 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1xk1 h LEU 13 CO 0.64 0.27 0.55 0.77 -0.34 0.00 0.00 178.44 180.34 1xk1 h SER 14 N 0.48 0.60 0.87 1.25 4.64 -1.91 0.12 113.55 119.60 1xk1 h SER 14 Ca 0.17 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.33 1xk1 h SER 14 Cb 0.03 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1xk1 h SER 14 CO -0.09 0.31 -0.94 -0.33 -0.87 0.00 0.00 176.83 174.91 1xk1 h GLU 15 N 0.64 0.03 -0.19 4.77 5.08 -1.78 -2.48 114.58 120.65 1xk1 h GLU 15 Ca 0.42 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1xk1 h GLU 15 Cb 0.72 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1xk1 h GLU 15 CO -0.18 0.94 -0.43 0.00 -1.00 0.00 0.00 179.01 178.34 1xk1 h ALA 16 N 1.04 0.90 -0.02 3.43 0.00 0.53 -3.02 119.26 122.12 1xk1 h ALA 16 Ca -0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1xk1 h ALA 16 Cb 1.64 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.34 1xk1 h ALA 16 CO 0.13 0.64 -0.52 -0.07 0.00 0.00 0.00 179.25 179.42 1xk1 h LEU 17 N 0.38 0.50 0.28 0.00 3.38 -0.90 -2.81 115.31 116.13 1xk1 h LEU 17 Ca 0.03 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1xk1 h LEU 17 Cb 0.91 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1xk1 h LEU 17 CO 0.08 1.16 -0.47 0.50 0.09 0.00 0.00 178.44 179.80 1xk1 h LYS 18 N -0.11 -0.78 -0.04 1.13 3.64 -1.44 -0.35 116.57 118.63 1xk1 h LYS 18 Ca -0.06 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1xk1 h LYS 18 Cb 1.22 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1xk1 h LYS 18 CO 0.10 -0.52 -0.60 1.05 -2.27 0.00 0.00 179.45 177.22 1xk1 h GLU 19 N -0.81 0.12 0.00 1.90 -0.00 -1.69 -2.19 114.58 111.92 1xk1 h GLU 19 Ca -0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.26 1xk1 h GLU 19 Cb 0.77 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.53 1xk1 h GLU 19 CO -0.17 0.68 -0.00 0.00 -0.00 0.00 0.00 179.01 179.51 1xk1 h ALA 20 N 1.30 1.01 -0.01 1.06 0.00 -1.22 -2.97 119.26 118.42 1xk1 h ALA 20 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xk1 h ALA 20 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xk1 h ALA 20 CO 0.09 0.01 -0.14 0.25 0.00 0.00 0.00 179.25 179.45 1xk1 n THR 21 N -3.10 0.00 -0.11 0.00 -2.24 -0.17 -4.61 114.28 104.05 1xk1 n THR 21 Ca -0.01 -0.43 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 1xk1 n THR 21 Cb 0.23 1.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.67 1xk1 n THR 21 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xk1 h LYS 22 N 1.90 -0.09 -0.43 -0.78 1.57 -1.24 0.10 116.57 117.61 1xk1 h LYS 22 Ca 0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1xk1 h LYS 22 Cb 0.47 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 1xk1 h LYS 22 CO 0.00 -0.06 -0.30 1.49 -0.57 0.00 0.00 179.45 180.01 1xk1 h GLU 23 N -0.09 -0.06 0.00 3.15 4.81 -1.82 0.12 114.58 120.69 1xk1 h GLU 23 Ca 0.19 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1xk1 h GLU 23 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1xk1 h GLU 23 CO -0.44 -0.04 -0.30 -0.39 -0.73 0.00 0.00 179.01 177.12 1xk1 h VAL 24 N -0.06 0.76 -0.37 0.32 -1.51 -1.79 -2.93 116.25 110.67 1xk1 h VAL 24 Ca 0.07 -1.27 -0.06 0.00 -1.23 0.00 0.00 66.70 64.21 1xk1 h VAL 24 Cb 0.24 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1xk1 h VAL 24 CO -0.44 0.29 -0.01 -0.74 -1.23 0.00 0.00 177.57 175.45 1xk1 h HIS 25 N 0.00 0.72 -0.92 5.19 -0.00 0.13 -0.27 115.15 120.00 1xk1 h HIS 25 Ca -0.00 -0.13 0.03 0.00 -0.00 0.00 0.00 60.37 60.27 1xk1 h HIS 25 Cb 0.77 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.94 1xk1 h HIS 25 CO 0.00 0.76 0.60 1.15 -0.00 0.00 0.00 177.93 180.44 1xk1 h THR 26 N 0.47 1.16 -0.35 6.26 2.02 -0.88 -0.48 112.91 121.11 1xk1 h THR 26 Ca 0.10 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 1xk1 h THR 26 Cb 0.47 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1xk1 h THR 26 CO 0.02 0.21 -0.08 -0.61 0.37 0.00 0.00 175.52 175.44 1xk1 h GLN 27 N 1.16 0.59 -0.09 6.66 4.15 -1.29 -1.99 115.11 124.30 1xk1 h GLN 27 Ca 0.37 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.52 1xk1 h GLN 27 Cb -0.00 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1xk1 h GLN 27 CO -0.12 0.67 -0.33 0.00 -1.93 0.00 0.00 178.83 177.12 1xk1 h ALA 28 N 1.37 0.17 -0.26 3.38 0.00 -0.05 -2.62 119.26 121.25 1xk1 h ALA 28 Ca 0.10 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1xk1 h ALA 28 Cb 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xk1 h ALA 28 CO 0.02 0.22 -0.39 1.05 0.00 0.00 0.00 179.25 180.16 1xk1 h GLU 29 N -0.06 0.60 -0.09 0.00 4.11 -1.09 -2.50 114.58 115.55 1xk1 h GLU 29 Ca -0.01 -0.30 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1xk1 h GLU 29 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1xk1 h GLU 29 CO 0.07 0.89 0.00 0.09 0.07 0.00 0.00 179.01 180.13 1xk1 n ASN 30 N -4.04 0.68 -4.76 3.06 3.02 -0.75 -3.98 115.26 108.49 1xk1 n ASN 30 Ca -0.02 -1.69 -0.41 0.00 -0.03 0.00 0.00 54.58 52.43 1xk1 n ASN 30 Cb 0.51 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.61 1xk1 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xk1 s ALA 31 N -1.88 3.69 0.15 5.41 0.00 -0.94 -4.68 121.76 123.50 1xk1 s ALA 31 Ca 0.23 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1xk1 s ALA 31 Cb 0.11 -3.64 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1xk1 s ALA 31 CO 0.18 -1.02 1.55 1.49 0.00 0.00 0.00 175.76 177.96 1xk1 h GLU 32 N 4.23 -0.28 -1.17 0.00 4.81 -1.89 0.19 114.58 120.47 1xk1 h GLU 32 Ca -0.48 0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.11 1xk1 h GLU 32 Cb 1.23 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.57 1xk1 h GLU 32 CO 0.74 -0.19 0.77 0.35 -0.73 0.00 0.00 179.01 179.95 1xk1 h PHE 33 N -0.29 0.53 0.06 0.92 3.57 -1.90 -0.23 116.94 119.59 1xk1 h PHE 33 Ca 0.12 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1xk1 h PHE 33 Cb 0.56 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1xk1 h PHE 33 CO -0.76 -0.04 -0.39 0.52 -2.23 0.00 0.00 178.31 175.41 1xk1 h MET 34 N 0.23 0.16 -0.77 1.11 2.86 -1.01 -2.26 114.93 115.25 1xk1 h MET 34 Ca 0.68 -0.25 0.19 0.00 -2.06 0.00 0.00 59.70 58.26 1xk1 h MET 34 Cb 2.01 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 33.72 1xk1 h MET 34 CO -0.30 1.09 0.53 0.00 1.06 0.00 0.00 176.91 179.29 1xk1 h ARG 35 N -0.65 0.21 0.01 1.72 3.08 0.79 0.69 114.38 120.23 1xk1 h ARG 35 Ca -0.06 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.73 1xk1 h ARG 35 Cb 1.27 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 1xk1 h ARG 35 CO 0.07 0.14 -1.21 -0.91 -1.07 0.00 0.00 179.97 176.99 1xk1 h ASN 36 N 0.22 0.05 0.81 7.04 -0.26 -1.34 -2.50 115.58 119.60 1xk1 h ASN 36 Ca 0.38 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1xk1 h ASN 36 Cb 1.17 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1xk1 h ASN 36 CO -0.08 1.05 0.00 0.33 -1.06 0.00 0.00 177.43 177.67 1xk1 n PHE 37 N -3.30 0.14 -0.10 1.19 -0.00 0.19 0.11 117.46 115.69 1xk1 n PHE 37 Ca -0.05 0.05 -0.18 0.00 -0.00 0.00 0.00 57.45 57.26 1xk1 n PHE 37 Cb 0.98 -0.58 -0.13 0.00 -0.00 0.00 0.00 39.48 39.75 1xk1 n PHE 37 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1xk1 n GLN 38 N -1.62 0.67 0.17 -4.13 6.02 0.17 -4.36 117.38 114.30 1xk1 n GLN 38 Ca 0.05 0.17 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 1xk1 n GLN 38 Cb 0.27 -1.56 0.20 0.00 1.02 0.00 0.00 30.24 30.17 1xk1 n GLN 38 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1xk1 h LYS 39 N 0.01 0.00 0.00 -1.09 1.57 -1.40 -3.47 116.57 112.19 1xk1 h LYS 39 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1xk1 h LYS 39 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1xk1 h LYS 39 CO -0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 1xk1 n GLY 40 N 1.17 1.06 2.42 3.86 0.00 -0.56 -5.02 105.19 108.13 1xk1 n GLY 40 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1xk1 n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xk1 n GLN 41 N -0.50 3.88 -4.55 1.61 3.00 0.30 -4.86 117.38 116.26 1xk1 n GLN 41 Ca 0.00 -2.89 -0.25 0.00 -0.01 0.00 0.00 57.00 53.85 1xk1 n GLN 41 Cb 0.00 -2.53 -0.17 0.00 0.00 0.00 0.00 30.24 27.54 1xk1 n GLN 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1xk1 s VAL 42 N -0.67 1.20 0.49 5.09 0.11 -1.25 -4.44 120.40 120.94 1xk1 s VAL 42 Ca 0.59 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 59.21 1xk1 s VAL 42 Cb 0.23 -1.10 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1xk1 s VAL 42 CO -0.11 0.37 0.67 0.42 -3.33 0.00 0.00 175.10 173.13 1xk1 s THR 43 N 0.76 2.66 0.29 5.04 -4.23 -1.26 -4.75 115.64 114.14 1xk1 s THR 43 Ca -0.13 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1xk1 s THR 43 Cb -0.16 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.23 1xk1 s THR 43 CO 0.03 0.00 1.93 -0.09 -0.54 0.00 0.00 174.62 175.95 1xk1 h ARG 44 N 0.41 1.06 -0.22 3.99 2.43 -1.97 0.31 114.38 120.39 1xk1 h ARG 44 Ca -0.36 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 58.58 1xk1 h ARG 44 Cb 1.28 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1xk1 h ARG 44 CO 0.44 0.75 -0.40 -0.44 -1.51 0.00 0.00 179.97 178.80 1xk1 h ASP 45 N 1.07 0.55 -0.32 -3.80 3.32 -1.99 -1.21 116.42 114.04 1xk1 h ASP 45 Ca 0.28 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1xk1 h ASP 45 Cb -0.03 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1xk1 h ASP 45 CO -0.05 0.89 -0.08 1.23 -1.72 0.00 0.00 179.24 179.51 1xk1 h GLY 46 N 1.08 0.66 0.95 2.75 0.00 -1.69 -2.58 103.07 104.25 1xk1 h GLY 46 Ca 0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1xk1 h GLY 46 CO 0.08 0.50 0.18 -2.75 0.00 0.00 0.00 176.54 174.55 1xk1 h PHE 47 N 0.39 0.52 -0.84 5.60 3.57 -0.84 -2.23 116.94 123.11 1xk1 h PHE 47 Ca 0.08 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1xk1 h PHE 47 Cb 0.57 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 1xk1 h PHE 47 CO 0.05 0.44 0.49 0.87 -2.23 0.00 0.00 178.31 177.93 1xk1 h LYS 48 N 0.45 0.79 -0.41 1.11 1.57 -1.18 -0.50 116.57 118.41 1xk1 h LYS 48 Ca 0.13 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1xk1 h LYS 48 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1xk1 h LYS 48 CO -0.02 0.52 0.00 -0.07 -0.57 0.00 0.00 179.45 179.32 1xk1 h LEU 49 N 0.82 0.63 0.02 2.94 3.38 -1.13 0.47 115.31 122.44 1xk1 h LEU 49 Ca 0.40 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xk1 h LEU 49 Cb 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1xk1 h LEU 49 CO -0.24 0.70 -0.01 0.58 0.09 0.00 0.00 178.44 179.56 1xk1 h VAL 50 N 0.63 1.08 -0.49 1.22 2.07 -0.55 -1.95 116.25 118.26 1xk1 h VAL 50 Ca 0.13 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1xk1 h VAL 50 Cb 0.39 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1xk1 h VAL 50 CO 0.01 0.08 0.01 0.24 0.02 0.00 0.00 177.57 177.93 1xk1 h MET 51 N -0.16 0.81 -0.41 1.57 2.86 -0.80 -1.98 114.93 116.83 1xk1 h MET 51 Ca -0.00 -0.22 -0.14 0.00 -2.06 0.00 0.00 59.70 57.28 1xk1 h MET 51 Cb 0.15 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1xk1 h MET 51 CO 0.00 0.81 -0.30 0.00 1.06 0.00 0.00 176.91 178.48 1xk1 h ALA 52 N 1.25 0.70 -0.46 6.32 0.00 -0.87 -2.09 119.26 124.11 1xk1 h ALA 52 Ca 0.15 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1xk1 h ALA 52 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xk1 h ALA 52 CO 0.02 0.67 -0.20 0.66 0.00 0.00 0.00 179.25 180.40 1xk1 h SER 53 N 0.75 0.93 -0.56 0.00 4.64 -1.20 -2.75 113.55 115.36 1xk1 h SER 53 Ca 0.08 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 1xk1 h SER 53 Cb 0.87 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1xk1 h SER 53 CO 0.08 1.10 0.24 -0.07 -0.87 0.00 0.00 176.83 177.30 1xk1 h LEU 54 N 0.79 0.76 0.09 5.97 3.38 -1.24 -1.77 115.31 123.29 1xk1 h LEU 54 Ca 0.11 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xk1 h LEU 54 Cb 0.75 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1xk1 h LEU 54 CO 0.06 0.71 -0.36 0.22 0.09 0.00 0.00 178.44 179.16 1xk1 h TYR 55 N 0.76 -1.00 -0.81 1.13 3.20 -1.19 0.16 116.97 119.22 1xk1 h TYR 55 Ca 0.19 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.15 1xk1 h TYR 55 Cb 0.17 0.43 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 1xk1 h TYR 55 CO 0.00 -0.46 0.49 0.45 -1.64 0.00 0.00 178.16 177.00 1xk1 h HIS 56 N -0.57 0.90 -0.15 -3.82 3.86 -1.38 0.23 115.15 114.22 1xk1 h HIS 56 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1xk1 h HIS 56 Cb 0.62 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1xk1 h HIS 56 CO -0.33 0.45 0.04 0.82 0.86 0.00 0.00 177.93 179.77 1xk1 h ILE 57 N 0.89 1.19 -0.03 2.45 2.04 -0.83 -2.45 117.51 120.78 1xk1 h ILE 57 Ca 0.36 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 1xk1 h ILE 57 Cb 0.18 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1xk1 h ILE 57 CO -0.18 0.18 -0.57 1.88 0.00 0.00 0.00 178.15 179.47 1xk1 h TYR 58 N 0.05 0.11 0.01 1.37 0.05 -0.75 -0.73 116.97 117.08 1xk1 h TYR 58 Ca 0.05 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1xk1 h TYR 58 Cb 0.24 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1xk1 h TYR 58 CO 0.00 0.63 -0.01 0.28 -1.05 0.00 0.00 178.16 178.02 1xk1 h VAL 59 N 0.07 1.07 -0.26 -2.88 2.07 -0.91 0.09 116.25 115.51 1xk1 h VAL 59 Ca -0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1xk1 h VAL 59 Cb 1.02 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1xk1 h VAL 59 CO 0.08 0.07 0.09 0.00 0.02 0.00 0.00 177.57 177.83 1xk1 h ALA 60 N 0.85 0.34 0.26 1.67 0.00 -1.32 -2.17 119.26 118.88 1xk1 h ALA 60 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xk1 h ALA 60 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xk1 h ALA 60 CO 0.00 -0.05 -0.12 1.25 0.00 0.00 0.00 179.25 180.33 1xk1 h LEU 61 N 0.26 -0.29 -1.57 0.00 5.85 -1.05 -2.38 115.31 116.14 1xk1 h LEU 61 Ca 0.08 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1xk1 h LEU 61 Cb 0.21 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1xk1 h LEU 61 CO -0.01 -0.21 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.38 1xk1 h GLU 62 N -0.35 0.00 -0.25 1.25 5.08 -1.00 -0.33 114.58 118.98 1xk1 h GLU 62 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1xk1 h GLU 62 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1xk1 h GLU 62 CO 0.06 0.18 -0.58 1.49 -1.00 0.00 0.00 179.01 179.16 1xk1 h GLU 63 N 0.00 0.78 -0.05 2.33 4.81 -1.21 -1.97 114.58 119.28 1xk1 h GLU 63 Ca -0.00 -0.51 -0.17 0.00 -0.13 0.00 0.00 59.36 58.54 1xk1 h GLU 63 Cb 0.52 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1xk1 h GLU 63 CO 0.02 1.14 -0.73 0.93 -0.73 0.00 0.00 179.01 179.64 1xk1 h GLU 64 N 0.59 0.27 -0.55 1.92 4.39 -0.90 -2.10 114.58 118.20 1xk1 h GLU 64 Ca 0.00 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 1xk1 h GLU 64 Cb 1.17 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1xk1 h GLU 64 CO 0.12 0.88 0.16 0.82 -1.16 0.00 0.00 179.01 179.84 1xk1 h ILE 65 N 0.18 1.24 -0.71 3.13 2.04 -0.97 -2.00 117.51 120.42 1xk1 h ILE 65 Ca -0.03 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 1xk1 h ILE 65 Cb 1.29 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1xk1 h ILE 65 CO 0.12 0.30 0.22 -0.33 0.00 0.00 0.00 178.15 178.46 1xk1 h GLU 66 N 0.78 1.09 -0.59 2.37 4.39 -1.25 0.36 114.58 121.72 1xk1 h GLU 66 Ca 0.18 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1xk1 h GLU 66 Cb 0.30 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1xk1 h GLU 66 CO -0.00 0.93 0.19 -0.09 -1.16 0.00 0.00 179.01 178.87 1xk1 h ARG 67 N 1.05 0.89 -0.37 2.33 2.43 -1.13 -3.19 114.38 116.39 1xk1 h ARG 67 Ca 0.23 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xk1 h ARG 67 Cb 0.29 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xk1 h ARG 67 CO -0.01 0.76 0.00 0.09 -1.51 0.00 0.00 179.97 179.30 1xk1 n ASN 68 N -4.29 3.53 -0.06 -3.80 4.13 -0.77 -4.75 115.26 109.24 1xk1 n ASN 68 Ca 0.05 -2.39 0.17 0.00 1.68 0.00 0.00 54.58 54.09 1xk1 n ASN 68 Cb 0.20 -0.39 0.60 0.00 -1.54 0.00 0.00 39.78 38.66 1xk1 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1xk1 h LYS 69 N 2.31 0.18 -0.01 3.52 2.10 -0.28 -2.41 116.57 121.98 1xk1 h LYS 69 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1xk1 h LYS 69 Cb 1.07 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1xk1 h LYS 69 CO 0.11 0.12 -0.25 0.39 -2.00 0.00 0.00 179.45 177.81 1xk1 n GLU 70 N -4.42 0.90 -2.56 0.07 1.02 -1.26 -3.69 120.64 110.68 1xk1 n GLU 70 Ca 0.11 -0.54 -0.37 0.00 -0.02 0.00 0.00 57.16 56.35 1xk1 n GLU 70 Cb 0.54 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.43 1xk1 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xk1 s SER 71 N -2.47 6.82 0.30 1.62 0.15 -0.91 -4.84 113.70 114.37 1xk1 s SER 71 Ca 0.25 2.03 0.22 0.00 0.70 0.00 0.00 55.95 59.14 1xk1 s SER 71 Cb 0.19 -2.59 1.10 0.00 -1.71 0.00 0.00 66.02 63.02 1xk1 s SER 71 CO 0.51 -0.45 1.66 -2.65 1.20 0.00 0.00 173.24 173.51 1xk1 n PRO 72 N 0.02 0.15 0.12 5.44 -0.02 -1.26 -0.76 135.00 138.68 1xk1 n PRO 72 Ca 0.05 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1xk1 n PRO 72 Cb 0.49 -1.93 0.23 0.00 -0.02 0.00 0.00 33.50 32.27 1xk1 n PRO 72 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1xk1 h VAL 73 N 0.00 0.00 0.00 -1.45 -1.51 -1.91 -3.40 116.25 107.98 1xk1 h VAL 73 Ca 0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1xk1 h VAL 73 Cb 0.09 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1xk1 h VAL 73 CO 0.00 0.00 -0.32 0.33 -1.23 0.00 0.00 177.57 176.35 1xk1 n PHE 74 N -2.48 0.00 -0.38 5.19 7.35 -0.84 -4.80 117.46 121.50 1xk1 n PHE 74 Ca 0.04 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.70 1xk1 n PHE 74 Cb 0.47 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.32 1xk1 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xk1 n ALA 75 N -0.76 -0.22 -0.37 3.13 0.00 0.06 -0.76 120.51 121.58 1xk1 n ALA 75 Ca 0.00 0.93 0.35 0.00 0.00 0.00 0.00 53.44 54.72 1xk1 n ALA 75 Cb 0.09 -0.37 0.70 0.00 0.00 0.00 0.00 19.45 19.87 1xk1 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xk1 h PRO 76 N 0.00 0.09 -0.48 0.00 0.11 -1.84 0.18 132.00 130.06 1xk1 h PRO 76 Ca 0.30 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.27 1xk1 h PRO 76 Cb 0.54 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.55 1xk1 h PRO 76 CO -0.95 0.06 0.10 1.33 -0.21 0.00 0.00 178.00 178.33 1xk1 n VAL 77 N -4.30 2.62 -2.75 3.15 0.24 0.06 -4.82 118.33 112.55 1xk1 n VAL 77 Ca 0.29 -1.99 -0.42 0.00 -2.04 0.00 0.00 64.34 60.17 1xk1 n VAL 77 Cb 1.27 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 33.29 1xk1 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xk1 s TYR 78 N -3.00 2.65 -0.49 6.34 5.04 0.65 -4.90 117.35 123.63 1xk1 s TYR 78 Ca 0.48 -0.04 0.08 0.00 -2.44 0.00 0.00 57.07 55.15 1xk1 s TYR 78 Cb 0.40 -4.29 0.29 0.00 0.35 0.00 0.00 41.96 38.71 1xk1 s TYR 78 CO 0.09 -1.57 0.71 1.19 -1.34 0.00 0.00 175.55 174.63 1xk1 n PHE 79 N 8.01 1.72 -0.10 4.97 3.72 -1.26 -4.99 117.46 129.53 1xk1 n PHE 79 Ca 0.02 -3.87 -0.06 0.00 -0.05 0.00 0.00 57.45 53.49 1xk1 n PHE 79 Cb 0.48 -0.45 0.01 0.00 -0.94 0.00 0.00 39.48 38.58 1xk1 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xk1 h PRO 80 N 3.63 0.18 -0.50 -1.08 0.13 -1.97 -1.50 132.00 130.89 1xk1 h PRO 80 Ca 0.12 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1xk1 h PRO 80 Cb 0.77 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1xk1 h PRO 80 CO 0.64 0.12 -0.02 0.93 -0.23 0.00 0.00 178.00 179.45 1xk1 h GLU 81 N 0.19 0.90 -0.42 0.86 4.39 -1.96 -1.28 114.58 117.27 1xk1 h GLU 81 Ca 0.16 -0.30 -0.13 0.00 0.34 0.00 0.00 59.36 59.44 1xk1 h GLU 81 Cb 0.17 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1xk1 h GLU 81 CO -0.21 0.94 -0.23 0.93 -1.16 0.00 0.00 179.01 179.29 1xk1 h GLU 82 N 0.77 0.89 0.00 2.33 3.07 -1.81 -3.41 114.58 116.42 1xk1 h GLU 82 Ca 0.14 -0.40 -0.20 0.00 -0.50 0.00 0.00 59.36 58.40 1xk1 h GLU 82 Cb 0.54 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 1xk1 h GLU 82 CO 0.03 1.05 -1.77 1.28 -1.40 0.00 0.00 179.01 178.20 1xk1 n LEU 83 N -4.18 0.22 -4.52 1.33 4.77 -0.57 -4.62 117.00 109.43 1xk1 n LEU 83 Ca -0.01 -0.01 -0.61 0.00 -0.03 0.00 0.00 56.01 55.35 1xk1 n LEU 83 Cb 0.45 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 1xk1 n LEU 83 CO 0.46 0.31 0.74 0.00 -1.33 0.00 0.00 177.39 177.57 1xk1 n HIS 84 N -2.45 0.97 -0.01 -1.77 1.44 -0.48 -4.86 115.22 108.05 1xk1 n HIS 84 Ca -0.19 1.07 0.03 0.00 -2.01 0.00 0.00 57.72 56.63 1xk1 n HIS 84 Cb 0.86 -2.11 -0.05 0.00 0.12 0.00 0.00 29.99 28.81 1xk1 n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xk1 n ARG 85 N 2.23 0.40 -0.27 -1.40 5.12 -1.26 -4.77 116.66 116.71 1xk1 n ARG 85 Ca 0.23 -0.06 0.04 0.00 -1.93 0.00 0.00 57.85 56.13 1xk1 n ARG 85 Cb 0.04 -1.17 0.13 0.00 -1.16 0.00 0.00 32.46 30.31 1xk1 n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1xk1 h LYS 86 N 0.00 0.04 -0.61 5.56 3.64 -1.89 -0.91 116.57 122.41 1xk1 h LYS 86 Ca -0.01 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1xk1 h LYS 86 Cb 0.39 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1xk1 h LYS 86 CO 0.00 0.03 0.15 0.00 -2.27 0.00 0.00 179.45 177.36 1xk1 h ALA 87 N 1.75 0.80 -0.84 5.00 0.00 -2.00 -0.79 119.26 123.19 1xk1 h ALA 87 Ca 0.40 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xk1 h ALA 87 Cb 0.68 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1xk1 h ALA 87 CO -0.74 0.51 0.39 0.00 0.00 0.00 0.00 179.25 179.42 1xk1 h ALA 88 N 1.04 1.09 -0.12 0.00 0.00 -1.58 -1.86 119.26 117.84 1xk1 h ALA 88 Ca 0.19 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1xk1 h ALA 88 Cb 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xk1 h ALA 88 CO 0.00 0.67 -0.48 -0.07 0.00 0.00 0.00 179.25 179.37 1xk1 h LEU 89 N 1.21 0.33 -0.40 0.00 3.38 -0.92 -1.39 115.31 117.53 1xk1 h LEU 89 Ca 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1xk1 h LEU 89 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xk1 h LEU 89 CO -0.03 0.77 0.16 -0.33 0.09 0.00 0.00 178.44 179.09 1xk1 h GLU 90 N 0.25 0.60 -0.04 1.13 5.08 -0.73 0.36 114.58 121.23 1xk1 h GLU 90 Ca 0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1xk1 h GLU 90 Cb 0.95 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1xk1 h GLU 90 CO 0.08 0.57 0.03 1.96 -1.00 0.00 0.00 179.01 180.65 1xk1 h GLN 91 N 0.50 0.06 -0.57 2.33 1.08 -1.11 -2.31 115.11 115.09 1xk1 h GLN 91 Ca 0.13 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1xk1 h GLN 91 Cb 0.20 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1xk1 h GLN 91 CO -0.01 0.04 0.38 -0.44 -0.95 0.00 0.00 178.83 177.85 1xk1 h ASP 92 N 0.06 0.66 0.36 1.46 3.45 -1.04 -2.69 116.42 118.67 1xk1 h ASP 92 Ca 0.02 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.38 1xk1 h ASP 92 Cb -0.01 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1xk1 h ASP 92 CO -0.00 0.48 -0.36 -0.07 -1.57 0.00 0.00 179.24 177.72 1xk1 h LEU 93 N 0.78 0.00 -1.24 1.55 3.38 -0.83 -0.92 115.31 118.03 1xk1 h LEU 93 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1xk1 h LEU 93 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1xk1 h LEU 93 CO -0.05 0.36 0.05 0.00 0.09 0.00 0.00 178.44 178.89 1xk1 h ALA 94 N 1.64 1.38 -0.03 1.53 0.00 -1.09 0.15 119.26 122.85 1xk1 h ALA 94 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1xk1 h ALA 94 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xk1 h ALA 94 CO 0.05 0.44 -0.20 0.35 0.00 0.00 0.00 179.25 179.88 1xk1 h PHE 95 N 0.55 0.26 -0.25 0.00 3.57 -1.12 0.22 116.94 120.17 1xk1 h PHE 95 Ca 0.12 -0.12 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1xk1 h PHE 95 Cb 0.28 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1xk1 h PHE 95 CO 0.01 0.86 -0.43 -1.49 -2.23 0.00 0.00 178.31 175.03 1xk1 h TRP 96 N -0.42 0.74 0.00 0.41 4.06 -0.99 -3.33 115.95 116.42 1xk1 h TRP 96 Ca -0.02 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.71 1xk1 h TRP 96 Cb 0.89 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1xk1 h TRP 96 CO 0.15 0.94 -0.54 0.66 -3.56 0.00 0.00 178.44 176.10 1xk1 n TYR 97 N -4.02 0.00 0.00 0.49 4.01 0.51 -5.09 117.16 113.06 1xk1 n TYR 97 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1xk1 n TYR 97 Cb 0.54 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1xk1 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xk1 n GLY 98 N 1.28 0.73 0.41 2.72 0.00 0.76 -4.32 105.19 106.77 1xk1 n GLY 98 Ca 0.02 -1.98 0.22 0.00 0.00 0.00 0.00 46.02 44.28 1xk1 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xk1 h PRO 99 N 0.00 0.00 -0.73 1.61 0.13 -1.92 -0.59 132.00 130.51 1xk1 h PRO 99 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 1xk1 h PRO 99 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 1xk1 h PRO 99 CO 0.00 0.00 0.33 0.54 -0.23 0.00 0.00 178.00 178.64 1xk1 n ARG 100 N -3.88 2.12 -0.25 0.86 1.74 -1.26 -4.73 116.66 111.26 1xk1 n ARG 100 Ca 0.11 -3.13 0.04 0.00 -0.77 0.00 0.00 57.85 54.10 1xk1 n ARG 100 Cb 0.73 -2.04 0.17 0.00 -1.02 0.00 0.00 32.46 30.30 1xk1 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1xk1 h TRP 101 N 1.07 0.46 -0.20 -1.55 5.08 -1.29 -1.40 115.95 118.12 1xk1 h TRP 101 Ca 0.46 0.04 0.06 0.00 1.08 0.00 0.00 58.89 60.53 1xk1 h TRP 101 Cb 2.25 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 28.31 1xk1 h TRP 101 CO 1.35 0.05 0.18 0.37 -1.28 0.00 0.00 178.44 179.11 1xk1 h GLN 102 N 0.41 0.00 0.00 0.12 4.15 -1.85 0.28 115.11 118.22 1xk1 h GLN 102 Ca 0.40 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.75 1xk1 h GLN 102 Cb 0.59 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1xk1 h GLN 102 CO -0.40 0.00 -0.65 0.93 -1.93 0.00 0.00 178.83 176.78 1xk1 h GLU 103 N 0.00 0.00 -0.00 1.69 5.08 -1.64 -3.38 114.58 116.33 1xk1 h GLU 103 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1xk1 h GLU 103 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1xk1 h GLU 103 CO -0.00 0.23 -0.03 1.33 -1.00 0.00 0.00 179.01 179.54 1xk1 n VAL 104 N -3.02 0.00 -2.27 3.13 0.24 -0.13 -5.02 118.33 111.26 1xk1 n VAL 104 Ca -0.00 -0.49 -0.35 0.00 -2.04 0.00 0.00 64.34 61.46 1xk1 n VAL 104 Cb 0.67 1.07 -0.00 0.00 -1.47 0.00 0.00 33.84 34.11 1xk1 n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1xk1 s ILE 105 N -0.51 3.18 0.50 1.34 -4.36 0.79 -4.99 121.20 117.15 1xk1 s ILE 105 Ca 0.04 0.76 -0.18 0.00 -0.26 0.00 0.00 60.65 61.01 1xk1 s ILE 105 Cb 0.03 -3.32 -0.08 0.00 1.25 0.00 0.00 42.46 40.34 1xk1 s ILE 105 CO 0.07 -0.13 1.00 -2.16 0.24 0.00 0.00 174.94 173.96 1xk1 s PRO 106 N -3.17 3.87 -0.41 0.37 0.04 -1.26 -5.01 135.00 129.43 1xk1 s PRO 106 Ca 0.71 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.93 1xk1 s PRO 106 Cb -0.24 -2.12 0.20 0.00 0.04 0.00 0.00 34.50 32.37 1xk1 s PRO 106 CO 0.28 -0.34 0.41 0.98 0.04 0.00 0.00 177.00 178.37 1xk1 n TYR 107 N -1.30 -0.69 -1.26 0.56 9.36 -1.26 -4.82 117.16 117.74 1xk1 n TYR 107 Ca 0.08 -3.40 -0.30 0.00 3.32 0.00 0.00 57.90 57.59 1xk1 n TYR 107 Cb 0.53 0.04 0.12 0.00 -0.63 0.00 0.00 39.34 39.40 1xk1 n TYR 107 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1xk1 s THR 108 N -0.40 2.90 0.20 2.97 -4.23 -1.26 -4.78 115.64 111.04 1xk1 s THR 108 Ca 0.34 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 1xk1 s THR 108 Cb 0.09 -2.81 0.14 0.00 1.34 0.00 0.00 72.50 71.26 1xk1 s THR 108 CO -0.17 -0.38 1.70 -0.65 -0.54 0.00 0.00 174.62 174.58 1xk1 h PRO 109 N -1.37 0.21 -0.71 3.99 0.11 -2.00 0.26 132.00 132.48 1xk1 h PRO 109 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1xk1 h PRO 109 Cb 1.27 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1xk1 h PRO 109 CO 0.54 0.14 0.28 0.00 -0.21 0.00 0.00 178.00 178.75 1xk1 h ALA 110 N 1.45 1.15 -0.46 -0.75 0.00 -1.93 -0.59 119.26 118.13 1xk1 h ALA 110 Ca 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xk1 h ALA 110 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xk1 h ALA 110 CO -0.39 0.61 0.18 0.52 0.00 0.00 0.00 179.25 180.17 1xk1 h MET 111 N 1.03 0.68 -0.70 0.00 2.86 -1.63 -2.46 114.93 114.71 1xk1 h MET 111 Ca 0.24 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1xk1 h MET 111 Cb 0.20 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1xk1 h MET 111 CO -0.02 0.62 0.29 1.96 1.06 0.00 0.00 176.91 180.82 1xk1 h GLN 112 N 0.59 1.04 -0.71 1.72 4.20 -0.48 -1.56 115.11 119.91 1xk1 h GLN 112 Ca 0.15 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1xk1 h GLN 112 Cb 0.19 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1xk1 h GLN 112 CO -0.01 0.85 0.44 0.00 -0.67 0.00 0.00 178.83 179.44 1xk1 h ARG 113 N 0.99 0.96 0.41 1.46 3.08 -1.00 0.30 114.38 120.58 1xk1 h ARG 113 Ca 0.23 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1xk1 h ARG 113 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1xk1 h ARG 113 CO -0.02 0.67 -0.20 -0.92 -1.07 0.00 0.00 179.97 178.43 1xk1 h TYR 114 N 0.97 -0.51 -0.56 3.04 5.03 -1.12 -1.92 116.97 121.90 1xk1 h TYR 114 Ca 0.26 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.62 1xk1 h TYR 114 Cb -0.05 0.17 -0.06 0.00 1.55 0.00 0.00 36.73 38.35 1xk1 h TYR 114 CO -0.01 -0.29 0.26 0.28 -1.32 0.00 0.00 178.16 177.07 1xk1 h VAL 115 N -0.61 0.89 -0.21 1.81 2.07 -0.98 -2.07 116.25 117.14 1xk1 h VAL 115 Ca -0.06 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.36 1xk1 h VAL 115 Cb 0.45 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1xk1 h VAL 115 CO 0.09 0.09 -0.24 0.50 0.02 0.00 0.00 177.57 178.03 1xk1 h LYS 116 N 0.48 -0.25 -0.27 1.57 3.64 -0.24 -1.92 116.57 119.58 1xk1 h LYS 116 Ca 0.26 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1xk1 h LYS 116 Cb 0.23 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1xk1 h LYS 116 CO -0.21 -0.17 0.15 -0.09 -2.27 0.00 0.00 179.45 176.86 1xk1 h ARG 117 N -0.26 0.30 -0.75 1.90 9.65 -1.01 -1.31 114.38 122.91 1xk1 h ARG 117 Ca 0.13 -0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.13 1xk1 h ARG 117 Cb 0.45 -0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.87 1xk1 h ARG 117 CO -0.36 0.20 0.30 -0.07 2.80 0.00 0.00 179.97 182.84 1xk1 h LEU 118 N 0.31 0.29 -0.41 3.80 3.38 -0.93 0.04 115.31 121.80 1xk1 h LEU 118 Ca 0.11 0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 1xk1 h LEU 118 Cb 0.01 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xk1 h LEU 118 CO -0.06 0.12 -0.48 0.45 0.09 0.00 0.00 178.44 178.56 1xk1 h HIS 119 N 0.46 0.99 0.40 1.13 3.86 -1.04 -0.65 115.15 120.29 1xk1 h HIS 119 Ca 0.41 -0.33 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1xk1 h HIS 119 Cb 0.60 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1xk1 h HIS 119 CO -0.16 1.13 -0.33 0.93 0.86 0.00 0.00 177.93 180.35 1xk1 h GLU 120 N 0.64 -0.71 -0.19 2.45 5.08 -0.08 0.15 114.58 121.92 1xk1 h GLU 120 Ca 0.03 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1xk1 h GLU 120 Cb 1.07 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1xk1 h GLU 120 CO 0.11 -0.47 -0.09 0.28 -1.00 0.00 0.00 179.01 177.83 1xk1 h VAL 121 N -0.73 0.71 -0.62 3.13 2.07 -1.00 0.16 116.25 119.96 1xk1 h VAL 121 Ca -0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1xk1 h VAL 121 Cb 0.64 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1xk1 h VAL 121 CO -0.02 0.00 0.16 1.23 0.02 0.00 0.00 177.57 178.96 1xk1 h GLY 122 N -0.07 1.03 0.35 2.17 0.00 -0.98 0.13 103.07 105.69 1xk1 h GLY 122 Ca 0.10 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1xk1 h GLY 122 CO -0.23 0.56 -0.10 3.21 0.00 0.00 0.00 176.54 179.98 1xk1 h ARG 123 N 0.92 -0.27 0.00 4.80 3.08 -0.37 -3.39 114.38 119.15 1xk1 h ARG 123 Ca 0.20 0.02 -0.22 0.00 0.07 0.00 0.00 59.98 60.05 1xk1 h ARG 123 Cb 0.31 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 1xk1 h ARG 123 CO -0.00 0.09 -2.05 -2.37 -1.07 0.00 0.00 179.97 174.56 1xk1 n THR 124 N -4.96 0.81 -2.98 2.04 5.66 0.52 -4.74 114.28 110.62 1xk1 n THR 124 Ca -0.07 -0.62 -0.21 0.00 -3.05 0.00 0.00 64.05 60.10 1xk1 n THR 124 Cb 0.24 -0.37 -0.02 0.00 -1.55 0.00 0.00 70.33 68.63 1xk1 n THR 124 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xk1 n GLU 125 N -2.48 1.99 0.17 1.09 1.02 -0.08 -4.95 120.64 117.40 1xk1 n GLU 125 Ca -0.20 -3.98 0.17 0.00 -0.02 0.00 0.00 57.16 53.13 1xk1 n GLU 125 Cb 0.88 -1.89 0.63 0.00 -0.02 0.00 0.00 31.44 31.04 1xk1 n GLU 125 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1xk1 h PRO 126 N 2.96 0.00 0.00 3.49 0.13 -1.03 0.21 132.00 137.75 1xk1 h PRO 126 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1xk1 h PRO 126 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xk1 h PRO 126 CO 0.64 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.46 1xk1 h GLU 127 N 0.00 0.00 0.00 0.86 9.09 -1.88 -2.22 114.58 120.43 1xk1 h GLU 127 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1xk1 h GLU 127 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1xk1 h GLU 127 CO -0.00 0.00 -1.13 1.28 0.05 0.00 0.00 179.01 179.20 1xk1 n LEU 128 N -2.35 0.71 -0.31 3.06 4.77 0.06 -4.28 117.00 118.66 1xk1 n LEU 128 Ca 0.01 0.26 0.22 0.00 -0.03 0.00 0.00 56.01 56.46 1xk1 n LEU 128 Cb 0.18 -0.06 0.50 0.00 -2.33 0.00 0.00 43.42 41.71 1xk1 n LEU 128 CO 0.18 -0.14 1.22 0.25 -1.33 0.00 0.00 177.39 177.56 1xk1 h LEU 129 N 0.00 0.45 -1.71 2.23 5.85 -1.53 0.86 115.31 121.47 1xk1 h LEU 129 Ca 0.00 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.91 1xk1 h LEU 129 Cb 0.97 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1xk1 h LEU 129 CO 0.00 0.11 0.40 1.62 -0.34 0.00 0.00 178.44 180.23 1xk1 h VAL 130 N 0.41 0.85 -0.25 1.05 3.04 -1.76 -0.15 116.25 119.43 1xk1 h VAL 130 Ca 0.58 -0.11 -0.07 0.00 -1.01 0.00 0.00 66.70 66.09 1xk1 h VAL 130 Cb 1.44 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1xk1 h VAL 130 CO -0.28 0.06 -0.14 0.00 -1.01 0.00 0.00 177.57 176.19 1xk1 h ALA 131 N 1.70 1.28 0.10 3.17 0.00 -1.12 -1.30 119.26 123.09 1xk1 h ALA 131 Ca 0.28 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1xk1 h ALA 131 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xk1 h ALA 131 CO -0.07 0.47 -1.16 0.45 0.00 0.00 0.00 179.25 178.94 1xk1 h HIS 132 N 0.40 0.45 -0.46 0.00 -0.00 -1.15 -2.40 115.15 111.99 1xk1 h HIS 132 Ca 0.07 -0.31 -0.11 0.00 -0.00 0.00 0.00 60.37 60.02 1xk1 h HIS 132 Cb 0.49 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 1xk1 h HIS 132 CO 0.01 1.22 -0.15 0.00 -0.00 0.00 0.00 177.93 179.02 1xk1 h ALA 133 N 0.66 0.64 0.80 2.45 0.00 -1.20 -2.21 119.26 120.40 1xk1 h ALA 133 Ca -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1xk1 h ALA 133 Cb 1.88 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1xk1 h ALA 133 CO 0.19 0.57 -0.47 -0.92 0.00 0.00 0.00 179.25 178.61 1xk1 h TYR 134 N 0.76 -1.26 -0.68 0.00 3.20 -1.26 -0.17 116.97 117.54 1xk1 h TYR 134 Ca 0.11 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.11 1xk1 h TYR 134 Cb 0.71 0.44 -0.11 0.00 1.54 0.00 0.00 36.73 39.31 1xk1 h TYR 134 CO 0.05 -0.72 0.11 1.15 -1.64 0.00 0.00 178.16 177.12 1xk1 h THR 135 N -1.19 0.52 0.06 1.81 2.02 -1.43 -1.32 112.91 113.37 1xk1 h THR 135 Ca -0.11 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1xk1 h THR 135 Cb 0.95 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1xk1 h THR 135 CO 0.12 0.04 -0.03 0.03 0.37 0.00 0.00 175.52 176.05 1xk1 h ARG 136 N 0.22 -0.07 -0.04 6.66 2.47 -1.32 -3.15 114.38 119.14 1xk1 h ARG 136 Ca 0.38 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 59.13 1xk1 h ARG 136 Cb 0.62 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.93 1xk1 h ARG 136 CO -0.51 -0.05 -0.14 1.88 0.56 0.00 0.00 179.97 181.72 1xk1 h TYR 137 N -0.23 -0.35 -0.01 3.04 0.05 -1.06 -0.99 116.97 117.41 1xk1 h TYR 137 Ca -0.01 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 1xk1 h TYR 137 Cb 0.06 0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1xk1 h TYR 137 CO 0.05 -0.21 -0.32 -0.07 -1.05 0.00 0.00 178.16 176.56 1xk1 h LEU 138 N -0.21 0.03 0.79 3.88 4.07 -1.36 0.18 115.31 122.68 1xk1 h LEU 138 Ca 0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1xk1 h LEU 138 Cb 0.30 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 42.04 1xk1 h LEU 138 CO -0.17 0.35 -0.38 1.23 -1.08 0.00 0.00 178.44 178.40 1xk1 h GLY 139 N 0.99 -1.10 1.39 0.83 0.00 -1.33 -2.85 103.07 101.00 1xk1 h GLY 139 Ca 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 1xk1 h GLY 139 CO 0.04 -0.40 0.26 -0.55 0.00 0.00 0.00 176.54 175.89 1xk1 h ASP 140 N -1.10 0.71 0.00 0.19 3.32 -1.14 -1.07 116.42 117.33 1xk1 h ASP 140 Ca -0.11 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1xk1 h ASP 140 Cb 0.81 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1xk1 h ASP 140 CO 0.18 0.62 0.00 -0.11 -1.72 0.00 0.00 179.24 178.21 1xk1 n LEU 141 N -4.36 0.18 0.00 1.55 7.94 0.04 -1.10 117.00 121.25 1xk1 n LEU 141 Ca 0.05 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1xk1 n LEU 141 Cb 0.14 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1xk1 n LEU 141 CO 0.38 0.04 -0.03 -1.20 -1.11 0.00 0.00 177.39 175.47 1xk1 n SER 142 N -0.29 0.28 -0.02 1.96 7.64 -0.45 -4.72 113.62 118.03 1xk1 n SER 142 Ca 0.00 -0.16 -0.04 0.00 1.01 0.00 0.00 58.87 59.68 1xk1 n SER 142 Cb 0.04 0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1xk1 n SER 142 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xk1 n HIS 143 N -0.40 0.00 0.00 1.43 8.25 -0.51 -4.92 115.22 119.06 1xk1 n HIS 143 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xk1 n HIS 143 Cb 0.00 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.90 1xk1 n HIS 143 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xk1 n GLY 144 N 2.45 0.00 0.00 -1.41 0.00 -0.26 -2.65 105.19 103.33 1xk1 n GLY 144 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xk1 n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xk1 n GLN 145 N 0.00 0.00 -0.21 1.61 3.00 -1.26 -2.47 117.38 118.05 1xk1 n GLN 145 Ca 0.00 0.20 0.05 0.00 -0.01 0.00 0.00 57.00 57.24 1xk1 n GLN 145 Cb 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 30.24 29.45 1xk1 n GLN 145 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1xk1 n VAL 146 N -0.59 -0.25 -0.05 5.09 0.24 -1.08 -0.57 118.33 121.12 1xk1 n VAL 146 Ca 0.00 1.34 -0.10 0.00 -2.04 0.00 0.00 64.34 63.53 1xk1 n VAL 146 Cb 0.00 -1.87 -0.04 0.00 -1.47 0.00 0.00 33.84 30.46 1xk1 n VAL 146 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1xk1 h LEU 147 N 0.00 0.25 -0.20 1.34 3.38 -1.73 -2.28 115.31 116.08 1xk1 h LEU 147 Ca 0.30 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1xk1 h LEU 147 Cb 0.51 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xk1 h LEU 147 CO -0.59 0.27 0.02 0.50 0.09 0.00 0.00 178.44 178.73 1xk1 h LYS 148 N 0.21 0.33 -0.58 1.13 3.64 -0.51 -2.82 116.57 117.97 1xk1 h LYS 148 Ca 0.07 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1xk1 h LYS 148 Cb 0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1xk1 h LYS 148 CO -0.01 0.50 0.25 1.57 -2.27 0.00 0.00 179.45 179.49 1xk1 h LYS 149 N 0.11 0.86 -0.17 1.90 5.09 -1.48 -2.80 116.57 120.09 1xk1 h LYS 149 Ca 0.06 -0.15 0.05 0.00 0.09 0.00 0.00 60.65 60.70 1xk1 h LYS 149 Cb 0.34 -0.14 -0.05 0.00 0.10 0.00 0.00 32.23 32.47 1xk1 h LYS 149 CO 0.01 0.73 -0.13 0.82 -2.09 0.00 0.00 179.45 178.78 1xk1 h ILE 150 N 0.80 0.62 0.15 0.07 2.04 -1.40 -2.70 117.51 117.10 1xk1 h ILE 150 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 1xk1 h ILE 150 Cb 0.18 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1xk1 h ILE 150 CO -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.91 1xk1 h ALA 151 N 0.97 -0.86 -1.02 1.87 0.00 -1.34 0.73 119.26 119.61 1xk1 h ALA 151 Ca 0.11 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.20 1xk1 h ALA 151 Cb 0.30 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 1xk1 h ALA 151 CO -0.26 -0.89 0.66 -0.56 0.00 0.00 0.00 179.25 178.21 1xk1 h GLN 152 N -0.39 0.37 0.02 0.00 3.07 -1.51 0.35 115.11 117.03 1xk1 h GLN 152 Ca -0.02 -0.02 -0.21 0.00 0.09 0.00 0.00 58.65 58.49 1xk1 h GLN 152 Cb 0.35 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 1xk1 h GLN 152 CO -0.06 0.25 -0.97 0.87 0.09 0.00 0.00 178.83 179.00 1xk1 h LYS 153 N 0.38 0.06 0.00 0.06 1.57 -1.25 -0.54 116.57 116.85 1xk1 h LYS 153 Ca 0.57 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1xk1 h LYS 153 Cb 1.47 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1xk1 h LYS 153 CO -0.26 0.98 -0.40 0.00 -0.57 0.00 0.00 179.45 179.20 1xk1 h ALA 154 N 0.98 0.80 -0.31 3.86 0.00 0.17 -3.31 119.26 121.46 1xk1 h ALA 154 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xk1 h ALA 154 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1xk1 h ALA 154 CO 0.14 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.67 1xk1 n LEU 155 N -2.88 2.84 -3.39 0.00 4.32 0.94 -4.94 117.00 113.90 1xk1 n LEU 155 Ca 0.03 -2.02 -0.23 0.00 -0.02 0.00 0.00 56.01 53.77 1xk1 n LEU 155 Cb 0.53 -0.21 -0.01 0.00 -1.62 0.00 0.00 43.42 42.10 1xk1 n LEU 155 CO 0.36 0.70 -0.05 -0.67 -1.22 0.00 0.00 177.39 176.51 1xk1 n ASP 156 N 0.38 -3.15 -4.57 -1.43 2.03 -0.75 -4.76 116.55 104.29 1xk1 n ASP 156 Ca 0.11 -0.38 -0.57 0.00 0.52 0.00 0.00 54.79 54.47 1xk1 n ASP 156 Cb 0.42 -2.64 -0.07 0.00 -0.72 0.00 0.00 41.12 38.10 1xk1 n ASP 156 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1xk1 n LEU 157 N -3.60 0.92 -4.83 -2.67 -0.00 -0.29 -4.96 117.00 101.57 1xk1 n LEU 157 Ca 0.00 1.14 -0.29 0.00 -0.00 0.00 0.00 56.01 56.86 1xk1 n LEU 157 Cb 0.53 -1.04 0.11 0.00 -0.00 0.00 0.00 43.42 43.02 1xk1 n LEU 157 CO 0.50 -1.37 0.74 -2.16 -0.00 0.00 0.00 177.39 175.10 1xk1 s PRO 158 N 0.72 1.59 -1.47 1.96 0.04 -1.26 -4.93 135.00 131.64 1xk1 s PRO 158 Ca 0.90 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.10 1xk1 s PRO 158 Cb -1.15 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 31.52 1xk1 s PRO 158 CO 0.56 -1.89 2.31 0.43 0.04 0.00 0.00 177.00 178.45 1xk1 n SER 159 N -3.55 4.48 0.09 6.66 7.64 -1.26 -4.68 113.62 122.99 1xk1 n SER 159 Ca 0.07 -2.82 -0.14 0.00 1.01 0.00 0.00 58.87 57.00 1xk1 n SER 159 Cb 0.59 -1.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.06 1xk1 n SER 159 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1xk1 h SER 160 N 5.87 0.41 0.00 6.43 0.02 -2.03 -3.47 113.55 120.79 1xk1 h SER 160 Ca 0.60 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1xk1 h SER 160 Cb 0.60 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1xk1 h SER 160 CO 1.87 1.25 0.00 0.61 -1.14 0.00 0.00 176.83 179.42 1xk1 n GLY 161 N 1.26 0.58 3.32 -3.77 0.00 -1.26 -5.00 105.19 100.31 1xk1 n GLY 161 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1xk1 n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xk1 s GLU 162 N -0.03 1.07 0.00 1.61 2.02 -1.26 -4.96 118.70 117.15 1xk1 s GLU 162 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1xk1 s GLU 162 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.63 1xk1 s GLU 162 CO 0.00 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1xk1 n GLY 163 N -0.18 2.19 0.37 -1.39 0.00 -1.26 -4.91 105.19 100.00 1xk1 n GLY 163 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1xk1 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xk1 n LEU 164 N 0.00 1.66 -0.11 0.99 4.77 -1.26 -4.79 117.00 118.25 1xk1 n LEU 164 Ca 0.00 -2.56 0.06 0.00 -0.03 0.00 0.00 56.01 53.48 1xk1 n LEU 164 Cb 0.00 -0.30 0.38 0.00 -2.33 0.00 0.00 43.42 41.18 1xk1 n LEU 164 CO 0.00 0.67 1.20 0.00 -1.33 0.00 0.00 177.39 177.93 1xk1 h ALA 165 N 0.22 1.72 -0.76 -1.18 0.00 -1.91 -2.33 119.26 115.01 1xk1 h ALA 165 Ca -0.02 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.06 1xk1 h ALA 165 Cb 1.18 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1xk1 h ALA 165 CO 0.01 0.21 0.53 0.35 0.00 0.00 0.00 179.25 180.34 1xk1 h PHE 166 N 0.68 0.24 -0.08 0.00 3.57 -1.87 -1.14 116.94 118.35 1xk1 h PHE 166 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1xk1 h PHE 166 Cb 0.14 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1xk1 h PHE 166 CO -0.00 0.08 0.00 1.19 -2.23 0.00 0.00 178.31 177.35 1xk1 n PHE 167 N -4.41 0.10 -4.05 0.41 3.72 -0.88 -4.71 117.46 107.65 1xk1 n PHE 167 Ca 0.15 -0.05 -0.26 0.00 -0.05 0.00 0.00 57.45 57.24 1xk1 n PHE 167 Cb 0.70 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 39.07 1xk1 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xk1 s THR 168 N -1.90 1.08 -0.61 4.37 2.01 -0.43 -4.74 115.64 115.42 1xk1 s THR 168 Ca 0.19 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 61.69 1xk1 s THR 168 Cb 0.09 -1.06 0.15 0.00 0.01 0.00 0.00 72.50 71.69 1xk1 s THR 168 CO 0.14 0.37 0.55 -0.36 -0.69 0.00 0.00 174.62 174.64 1xk1 s PHE 169 N 1.48 3.39 0.43 4.92 0.40 -1.26 -4.93 117.98 122.41 1xk1 s PHE 169 Ca 0.01 -1.52 0.40 0.00 -0.60 0.00 0.00 56.93 55.21 1xk1 s PHE 169 Cb -0.13 -3.78 2.03 0.00 0.51 0.00 0.00 43.02 41.65 1xk1 s PHE 169 CO -0.06 -1.01 2.21 -1.00 0.70 0.00 0.00 175.22 176.06 1xk1 h PRO 170 N 8.56 0.00 -0.47 0.24 0.13 -1.93 -2.67 132.00 135.86 1xk1 h PRO 170 Ca -0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1xk1 h PRO 170 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xk1 h PRO 170 CO 0.95 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 1xk1 n ASN 171 N -3.01 5.13 -3.79 1.44 5.03 -1.26 -4.80 115.26 113.99 1xk1 n ASN 171 Ca -0.02 -2.97 -0.28 0.00 0.87 0.00 0.00 54.58 52.17 1xk1 n ASN 171 Cb 0.14 -0.64 -0.16 0.00 -1.02 0.00 0.00 39.78 38.09 1xk1 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xk1 s ILE 172 N -2.80 0.79 0.03 2.41 1.01 -1.01 -4.68 121.20 116.96 1xk1 s ILE 172 Ca 0.51 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 1xk1 s ILE 172 Cb 0.39 -1.23 -0.15 0.00 0.01 0.00 0.00 42.46 41.49 1xk1 s ILE 172 CO 0.13 -0.17 1.39 0.00 0.00 0.00 0.00 174.94 176.30 1xk1 h ALA 173 N 8.17 0.16 -3.31 9.38 0.00 -1.87 -3.43 119.26 128.37 1xk1 h ALA 173 Ca -0.17 -0.25 -0.59 0.00 0.00 0.00 0.00 54.91 53.90 1xk1 h ALA 173 Cb 1.11 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.49 1xk1 h ALA 173 CO 0.36 -0.06 -0.81 0.45 0.00 0.00 0.00 179.25 179.18 1xk1 s SER 174 N -5.88 2.99 0.12 0.00 0.15 -1.26 -5.02 113.70 104.80 1xk1 s SER 174 Ca -0.14 -0.69 -0.26 0.00 0.70 0.00 0.00 55.95 55.55 1xk1 s SER 174 Cb 0.05 -1.11 -0.07 0.00 -1.71 0.00 0.00 66.02 63.17 1xk1 s SER 174 CO 0.72 -0.13 1.64 0.00 1.20 0.00 0.00 173.24 176.67 1xk1 h ALA 175 N 8.04 -0.39 -0.99 5.45 0.00 -1.90 -1.34 119.26 128.14 1xk1 h ALA 175 Ca -0.30 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1xk1 h ALA 175 Cb 1.11 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1xk1 h ALA 175 CO 0.47 -0.77 0.63 0.00 0.00 0.00 0.00 179.25 179.58 1xk1 h THR 176 N -0.43 0.96 -0.24 0.00 1.03 -1.96 -0.31 112.91 111.97 1xk1 h THR 176 Ca 0.04 -0.35 -0.01 0.00 -0.01 0.00 0.00 66.41 66.08 1xk1 h THR 176 Cb 0.47 -0.15 -0.01 0.00 -1.07 0.00 0.00 68.15 67.39 1xk1 h THR 176 CO -0.18 0.19 0.12 0.50 -0.01 0.00 0.00 175.52 176.14 1xk1 h LYS 177 N 1.02 0.34 -0.43 0.00 3.64 -1.79 -2.55 116.57 116.81 1xk1 h LYS 177 Ca 0.48 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.69 1xk1 h LYS 177 Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1xk1 h LYS 177 CO -0.24 0.35 -0.18 0.35 -2.27 0.00 0.00 179.45 177.46 1xk1 h PHE 178 N 0.26 0.94 -0.93 1.91 3.57 -0.71 -2.88 116.94 119.09 1xk1 h PHE 178 Ca 0.08 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.42 1xk1 h PHE 178 Cb 0.12 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 1xk1 h PHE 178 CO -0.02 0.94 0.61 0.87 -2.23 0.00 0.00 178.31 178.48 1xk1 h LYS 179 N 0.73 1.11 -0.50 1.11 1.57 -0.91 0.11 116.57 119.80 1xk1 h LYS 179 Ca 0.11 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1xk1 h LYS 179 Cb 0.70 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1xk1 h LYS 179 CO 0.05 0.74 -0.08 0.37 -0.57 0.00 0.00 179.45 179.96 1xk1 h GLN 180 N 1.14 0.89 -0.21 3.15 4.15 -1.26 -1.40 115.11 121.58 1xk1 h GLN 180 Ca 0.38 -0.30 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 1xk1 h GLN 180 Cb 0.06 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1xk1 h GLN 180 CO -0.13 0.94 -0.15 1.25 -1.93 0.00 0.00 178.83 178.81 1xk1 h LEU 181 N 0.81 0.49 -0.69 -2.39 5.85 -1.08 -2.32 115.31 115.97 1xk1 h LEU 181 Ca 0.14 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1xk1 h LEU 181 Cb 0.59 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1xk1 h LEU 181 CO 0.04 0.83 0.42 0.22 -0.34 0.00 0.00 178.44 179.61 1xk1 h TYR 182 N 0.15 0.91 -0.89 1.25 5.03 -0.74 -1.25 116.97 121.43 1xk1 h TYR 182 Ca 0.04 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.37 1xk1 h TYR 182 Cb 0.67 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 38.60 1xk1 h TYR 182 CO 0.07 0.61 0.58 0.93 -1.32 0.00 0.00 178.16 179.04 1xk1 h GLU 183 N 0.94 1.13 -0.27 1.82 5.08 -1.22 -0.77 114.58 121.29 1xk1 h GLU 183 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xk1 h GLU 183 Cb -0.04 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1xk1 h GLU 183 CO -0.05 0.75 0.18 0.77 -1.00 0.00 0.00 179.01 179.66 1xk1 h SER 184 N 1.16 0.31 -0.55 1.42 0.02 -0.75 -1.84 113.55 113.32 1xk1 h SER 184 Ca 0.34 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1xk1 h SER 184 Cb -0.07 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1xk1 h SER 184 CO -0.09 0.22 0.23 0.03 -1.14 0.00 0.00 176.83 176.08 1xk1 h ARG 185 N 0.37 0.85 0.25 3.45 2.47 -0.66 -2.48 114.38 118.64 1xk1 h ARG 185 Ca 0.10 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1xk1 h ARG 185 Cb -0.04 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.13 1xk1 h ARG 185 CO -0.02 0.70 -0.12 0.52 0.56 0.00 0.00 179.97 181.61 1xk1 h MET 186 N 0.84 -0.33 0.00 0.04 2.86 -0.81 -2.52 114.93 115.02 1xk1 h MET 186 Ca 0.20 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1xk1 h MET 186 Cb 0.17 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1xk1 h MET 186 CO -0.02 -0.16 0.00 0.09 1.06 0.00 0.00 176.91 177.88 1xk1 n ASN 187 N -5.20 0.25 0.03 1.22 3.02 -0.72 -1.27 115.26 112.60 1xk1 n ASN 187 Ca -0.10 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.17 1xk1 n ASN 187 Cb 0.18 -0.64 0.05 0.00 -0.61 0.00 0.00 39.78 38.76 1xk1 n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xk1 n SER 188 N -1.82 0.62 -4.70 6.41 3.41 -0.95 -4.81 113.62 111.77 1xk1 n SER 188 Ca 0.00 -0.14 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 1xk1 n SER 188 Cb 0.06 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1xk1 n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xk1 n LEU 189 N -2.00 3.73 -4.61 1.04 4.77 -0.39 -4.93 117.00 114.60 1xk1 n LEU 189 Ca 0.02 1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 56.67 1xk1 n LEU 189 Cb 0.44 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 39.97 1xk1 n LEU 189 CO 0.40 -0.01 0.74 -0.70 -1.33 0.00 0.00 177.39 176.48 1xk1 s GLU 190 N 0.68 3.92 -0.17 3.23 2.56 -1.26 -5.02 118.70 122.63 1xk1 s GLU 190 Ca 0.74 0.67 -0.15 0.00 0.00 0.00 0.00 54.97 56.22 1xk1 s GLU 190 Cb -0.57 -3.77 0.04 0.00 2.00 0.00 0.00 34.13 31.84 1xk1 s GLU 190 CO 0.38 -0.85 0.44 0.00 -0.56 0.00 0.00 175.26 174.68 1xk1 s MET 191 N 3.32 0.51 0.75 4.30 0.23 -1.26 -4.97 119.30 122.18 1xk1 s MET 191 Ca 0.37 0.64 -0.12 0.00 -1.03 0.00 0.00 55.69 55.55 1xk1 s MET 191 Cb -0.13 0.23 0.05 0.00 -1.53 0.00 0.00 34.83 33.45 1xk1 s MET 191 CO 0.16 -0.07 1.11 0.95 -2.03 0.00 0.00 175.02 175.14 1xk1 s THR 192 N 0.34 3.13 0.58 3.16 -4.23 -1.26 -4.77 115.64 112.58 1xk1 s THR 192 Ca -0.01 0.43 0.27 0.00 -1.18 0.00 0.00 61.69 61.20 1xk1 s THR 192 Cb -0.04 -2.89 0.36 0.00 1.34 0.00 0.00 72.50 71.27 1xk1 s THR 192 CO -0.01 -0.42 2.11 -0.65 -0.54 0.00 0.00 174.62 175.12 1xk1 h PRO 193 N -0.77 0.00 -0.22 3.99 0.11 -2.01 -1.25 132.00 131.84 1xk1 h PRO 193 Ca -0.45 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 1xk1 h PRO 193 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xk1 h PRO 193 CO 0.51 0.00 -0.58 0.00 -0.21 0.00 0.00 178.00 177.72 1xk1 h ALA 194 N 1.81 0.37 -0.42 -0.75 0.00 -2.00 -2.44 119.26 115.84 1xk1 h ALA 194 Ca 0.08 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1xk1 h ALA 194 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xk1 h ALA 194 CO -0.00 0.61 -0.32 0.28 0.00 0.00 0.00 179.25 179.82 1xk1 h VAL 195 N 0.53 1.27 -0.61 0.00 2.07 -1.62 -2.89 116.25 114.99 1xk1 h VAL 195 Ca -0.01 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1xk1 h VAL 195 Cb 1.20 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1xk1 h VAL 195 CO 0.13 0.50 0.29 -0.09 0.02 0.00 0.00 177.57 178.42 1xk1 h ARG 196 N 0.79 0.87 -0.39 1.57 2.43 -1.29 0.63 114.38 119.00 1xk1 h ARG 196 Ca 0.08 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1xk1 h ARG 196 Cb 0.91 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1xk1 h ARG 196 CO 0.08 0.68 -0.13 1.96 -1.51 0.00 0.00 179.97 181.05 1xk1 h GLN 197 N 0.87 0.69 -0.16 0.20 4.20 -1.34 -1.44 115.11 118.13 1xk1 h GLN 197 Ca 0.21 -0.23 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 1xk1 h GLN 197 Cb 0.10 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.83 1xk1 h GLN 197 CO -0.03 0.79 -0.76 0.00 -0.67 0.00 0.00 178.83 178.17 1xk1 h ARG 198 N 0.63 0.76 -0.42 1.46 3.08 -1.14 -2.25 114.38 116.51 1xk1 h ARG 198 Ca 0.11 -0.61 0.01 0.00 0.07 0.00 0.00 59.98 59.56 1xk1 h ARG 198 Cb 0.58 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1xk1 h ARG 198 CO 0.04 1.22 0.25 0.28 -1.07 0.00 0.00 179.97 180.69 1xk1 h VAL 199 N 0.53 1.06 -0.49 2.04 2.07 -0.73 0.54 116.25 121.27 1xk1 h VAL 199 Ca -0.05 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1xk1 h VAL 199 Cb 1.38 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1xk1 h VAL 199 CO 0.15 0.09 0.32 0.40 0.02 0.00 0.00 177.57 178.56 1xk1 h ILE 200 N 0.51 1.13 -0.81 4.57 2.04 -1.22 -1.86 117.51 121.87 1xk1 h ILE 200 Ca 0.16 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1xk1 h ILE 200 Cb -0.01 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1xk1 h ILE 200 CO -0.06 0.13 0.34 -0.33 0.00 0.00 0.00 178.15 178.23 1xk1 h GLU 201 N 0.66 1.20 -0.28 2.37 4.39 -1.04 -2.06 114.58 119.81 1xk1 h GLU 201 Ca 0.18 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.70 1xk1 h GLU 201 Cb -0.07 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 1xk1 h GLU 201 CO -0.04 0.95 0.19 1.49 -1.16 0.00 0.00 179.01 180.45 1xk1 h GLU 202 N 1.17 0.25 -0.35 2.33 4.57 -0.26 -0.01 114.58 122.28 1xk1 h GLU 202 Ca 0.27 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.39 1xk1 h GLU 202 Cb 0.19 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1xk1 h GLU 202 CO -0.03 0.17 0.03 0.00 -1.18 0.00 0.00 179.01 178.00 1xk1 h ALA 203 N 1.84 0.47 -0.72 2.92 0.00 -0.63 0.56 119.26 123.70 1xk1 h ALA 203 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xk1 h ALA 203 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xk1 h ALA 203 CO -0.02 0.20 0.38 0.87 0.00 0.00 0.00 179.25 180.68 1xk1 h LYS 204 N 0.43 1.01 -0.99 0.00 1.57 -1.02 -0.37 116.57 117.20 1xk1 h LYS 204 Ca 0.10 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1xk1 h LYS 204 Cb 0.40 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1xk1 h LYS 204 CO 0.01 0.77 0.65 1.15 -0.57 0.00 0.00 179.45 181.45 1xk1 h THR 205 N 1.00 1.12 -0.07 -0.16 2.02 -0.66 0.46 112.91 116.61 1xk1 h THR 205 Ca 0.25 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1xk1 h THR 205 Cb 0.06 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1xk1 h THR 205 CO -0.04 0.22 0.03 0.00 0.37 0.00 0.00 175.52 176.10 1xk1 h ALA 206 N 1.45 0.09 -0.30 6.16 0.00 0.39 -1.44 119.26 125.61 1xk1 h ALA 206 Ca 0.42 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1xk1 h ALA 206 Cb 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xk1 h ALA 206 CO -0.15 -0.33 0.13 0.74 0.00 0.00 0.00 179.25 179.63 1xk1 h PHE 207 N -0.04 0.24 -0.72 0.00 -1.00 -0.50 -2.47 116.94 112.45 1xk1 h PHE 207 Ca 0.02 0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.91 1xk1 h PHE 207 Cb 0.16 -0.06 -0.07 0.00 3.61 0.00 0.00 35.95 39.58 1xk1 h PHE 207 CO -0.02 0.12 0.35 -0.07 -1.61 0.00 0.00 178.31 177.08 1xk1 h LEU 208 N 0.28 0.45 -1.34 1.54 3.38 -0.75 0.11 115.31 118.97 1xk1 h LEU 208 Ca 0.13 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1xk1 h LEU 208 Cb 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xk1 h LEU 208 CO -0.11 0.25 0.24 -0.07 0.09 0.00 0.00 178.44 178.84 1xk1 h LEU 209 N 0.59 0.62 -0.26 1.67 3.38 -0.92 -0.67 115.31 119.71 1xk1 h LEU 209 Ca 0.36 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 1xk1 h LEU 209 Cb 0.40 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xk1 h LEU 209 CO -0.28 0.53 -0.34 0.78 0.09 0.00 0.00 178.44 179.22 1xk1 h ASN 210 N 0.69 0.75 0.41 -0.43 2.35 -0.61 -2.34 115.58 116.41 1xk1 h ASN 210 Ca 0.17 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1xk1 h ASN 210 Cb 0.07 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1xk1 h ASN 210 CO -0.02 1.10 -0.28 0.40 -1.65 0.00 0.00 177.43 176.98 1xk1 h ILE 211 N 0.42 0.42 0.00 2.81 2.04 -0.26 -0.31 117.51 122.63 1xk1 h ILE 211 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1xk1 h ILE 211 Cb 0.92 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1xk1 h ILE 211 CO 0.08 0.00 -0.10 0.06 0.00 0.00 0.00 178.15 178.19 1xk1 h GLN 212 N -0.67 0.00 -0.41 2.37 3.07 -1.21 -0.28 115.11 117.97 1xk1 h GLN 212 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.55 1xk1 h GLN 212 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 1xk1 h GLN 212 CO 0.02 0.10 -0.33 1.25 0.09 0.00 0.00 178.83 179.96 1xk1 h LEU 213 N 0.00 0.99 -0.39 0.06 5.85 -0.83 -1.48 115.31 119.51 1xk1 h LEU 213 Ca -0.00 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1xk1 h LEU 213 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1xk1 h LEU 213 CO 0.01 1.22 0.14 -0.26 -0.34 0.00 0.00 178.44 179.21 1xk1 h PHE 214 N 0.78 0.60 0.00 1.25 0.04 0.57 -1.10 116.94 119.09 1xk1 h PHE 214 Ca 0.08 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1xk1 h PHE 214 Cb 0.91 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 1xk1 h PHE 214 CO 0.06 0.55 -0.27 0.93 -0.60 0.00 0.00 178.31 178.98 1xk1 h GLU 215 N 0.48 0.00 -0.07 1.51 5.08 -1.10 -1.51 114.58 118.97 1xk1 h GLU 215 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1xk1 h GLU 215 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xk1 h GLU 215 CO -0.01 0.27 -0.42 1.49 -1.00 0.00 0.00 179.01 179.34 1xk1 h GLU 216 N 0.00 0.41 -0.31 2.33 4.81 -0.91 -2.04 114.58 118.86 1xk1 h GLU 216 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1xk1 h GLU 216 Cb 0.48 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1xk1 h GLU 216 CO 0.03 0.99 0.19 -0.07 -0.73 0.00 0.00 179.01 179.43 1xk1 h LEU 217 N -0.06 0.36 -1.33 1.64 3.38 -0.99 0.79 115.31 119.10 1xk1 h LEU 217 Ca -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xk1 h LEU 217 Cb 1.08 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1xk1 h LEU 217 CO 0.09 0.28 0.32 -0.61 0.09 0.00 0.00 178.44 178.61 1xk1 h GLN 218 N 0.40 0.78 -0.25 1.13 5.75 -1.34 -0.86 115.11 120.72 1xk1 h GLN 218 Ca 0.11 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1xk1 h GLN 218 Cb -0.02 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 1xk1 h GLN 218 CO -0.02 0.57 -0.02 1.49 -2.65 0.00 0.00 178.83 178.19 1xk1 h GLU 219 N 0.79 0.46 0.00 1.69 4.22 -0.66 -3.04 114.58 118.04 1xk1 h GLU 219 Ca 0.21 -0.16 -0.02 0.00 0.08 0.00 0.00 59.36 59.46 1xk1 h GLU 219 Cb 0.00 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xk1 h GLU 219 CO -0.04 0.65 -0.12 -0.07 -2.18 0.00 0.00 179.01 177.26 1xk1 h LEU 220 N 0.23 0.00 0.00 1.64 3.38 -0.35 -3.07 115.31 117.14 1xk1 h LEU 220 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xk1 h LEU 220 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xk1 h LEU 220 CO 0.02 0.12 -0.21 -0.07 0.09 0.00 0.00 178.44 178.38 1xk1 h LEU 221 N 0.00 0.00 -3.11 1.67 3.38 -1.06 -3.25 115.31 112.93 1xk1 h LEU 221 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xk1 h LEU 221 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1xk1 h LEU 221 CO 0.02 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1xk1 n THR 222 N -2.34 1.76 0.00 0.22 -2.24 -1.16 -5.10 114.28 105.42 1xk1 n THR 222 Ca 0.05 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1xk1 n THR 222 Cb 0.45 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1xk1 n THR 222 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91