#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk2 n GLN 11 N 0.00 0.56 -2.45 -0.52 7.27 -1.26 -4.86 117.38 116.11 1xk2 n GLN 11 Ca 0.00 0.09 -0.41 0.00 0.07 0.00 0.00 57.00 56.74 1xk2 n GLN 11 Cb 0.00 -1.33 -0.04 0.00 2.41 0.00 0.00 30.24 31.28 1xk2 n GLN 11 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1xk2 s ASP 12 N -5.52 7.18 0.22 1.69 1.01 -1.26 -4.92 116.67 115.06 1xk2 s ASP 12 Ca -0.21 2.13 -0.08 0.00 0.71 0.00 0.00 52.55 55.10 1xk2 s ASP 12 Cb 0.06 -2.60 0.30 0.00 1.01 0.00 0.00 42.92 41.68 1xk2 s ASP 12 CO 0.40 -0.31 1.78 0.25 0.21 0.00 0.00 175.17 177.51 1xk2 h LEU 13 N 5.38 0.47 -1.23 1.23 5.85 -1.90 0.16 115.31 125.27 1xk2 h LEU 13 Ca -0.44 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1xk2 h LEU 13 Cb 1.21 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1xk2 h LEU 13 CO 0.74 0.28 0.36 0.77 -0.34 0.00 0.00 178.44 180.25 1xk2 h SER 14 N 0.61 0.79 1.57 1.25 4.64 -1.88 -1.13 113.55 119.40 1xk2 h SER 14 Ca 0.33 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 1xk2 h SER 14 Cb 0.31 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1xk2 h SER 14 CO -0.24 0.63 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.58 1xk2 h GLU 15 N 0.90 0.00 -0.14 4.77 4.39 -1.64 -2.81 114.58 120.05 1xk2 h GLU 15 Ca 0.23 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.73 1xk2 h GLU 15 Cb 0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1xk2 h GLU 15 CO -0.04 0.36 -0.70 0.00 -1.16 0.00 0.00 179.01 177.47 1xk2 h ALA 16 N 1.62 0.27 -0.29 3.43 0.00 -0.08 -2.74 119.26 121.46 1xk2 h ALA 16 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1xk2 h ALA 16 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xk2 h ALA 16 CO 0.05 0.59 0.03 -0.07 0.00 0.00 0.00 179.25 179.85 1xk2 h LEU 17 N 0.42 0.48 -1.11 0.00 3.38 -1.27 -0.06 115.31 117.14 1xk2 h LEU 17 Ca -0.05 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1xk2 h LEU 17 Cb 1.34 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 1xk2 h LEU 17 CO 0.15 0.64 0.60 0.50 0.09 0.00 0.00 178.44 180.41 1xk2 h LYS 18 N 0.31 1.13 0.00 1.13 3.64 -1.54 -1.88 116.57 119.36 1xk2 h LYS 18 Ca 0.09 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 1xk2 h LYS 18 Cb 0.37 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1xk2 h LYS 18 CO 0.01 0.75 -1.01 1.49 -2.27 0.00 0.00 179.45 178.42 1xk2 h GLU 19 N 1.16 0.00 0.00 1.90 4.81 -1.36 -3.19 114.58 117.91 1xk2 h GLU 19 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1xk2 h GLU 19 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xk2 h GLU 19 CO -0.11 0.86 0.00 0.00 -0.73 0.00 0.00 179.01 179.04 1xk2 h ALA 20 N 1.08 1.00 -0.30 2.92 0.00 -0.60 -3.26 119.26 120.10 1xk2 h ALA 20 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xk2 h ALA 20 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1xk2 h ALA 20 CO 0.11 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.61 1xk2 n THR 21 N -2.85 1.12 -0.21 0.00 -2.24 -0.74 -4.69 114.28 104.68 1xk2 n THR 21 Ca 0.04 -1.09 -0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1xk2 n THR 21 Cb 0.47 0.43 0.11 0.00 -2.10 0.00 0.00 70.33 69.23 1xk2 n THR 21 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xk2 h LYS 22 N 1.76 0.45 0.02 -0.78 1.57 -1.60 -0.35 116.57 117.64 1xk2 h LYS 22 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xk2 h LYS 22 Cb 0.77 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1xk2 h LYS 22 CO 0.02 0.29 -0.01 1.05 -0.57 0.00 0.00 179.45 180.24 1xk2 h GLU 23 N 0.46 -0.02 -0.21 3.15 9.09 -1.86 -2.69 114.58 122.50 1xk2 h GLU 23 Ca 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.71 1xk2 h GLU 23 Cb 0.36 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 1xk2 h GLU 23 CO -0.29 0.50 0.09 -0.39 0.05 0.00 0.00 179.01 178.98 1xk2 h VAL 24 N -0.56 1.08 -0.05 -1.06 -1.51 -1.85 0.97 116.25 113.27 1xk2 h VAL 24 Ca -0.00 -0.25 -0.10 0.00 -1.23 0.00 0.00 66.70 65.12 1xk2 h VAL 24 Cb 0.54 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1xk2 h VAL 24 CO 0.00 0.10 -0.41 -0.74 -1.23 0.00 0.00 177.57 175.29 1xk2 h HIS 25 N 0.29 0.12 -0.03 5.19 6.17 -1.07 -0.84 115.15 124.98 1xk2 h HIS 25 Ca 0.08 -0.03 -0.19 0.00 0.71 0.00 0.00 60.37 60.93 1xk2 h HIS 25 Cb 0.05 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 1xk2 h HIS 25 CO 0.00 0.51 -0.81 1.15 0.71 0.00 0.00 177.93 179.49 1xk2 h THR 26 N 0.09 1.43 -0.22 6.26 2.02 -0.52 -2.43 112.91 119.53 1xk2 h THR 26 Ca 0.01 -2.36 -0.15 0.00 0.77 0.00 0.00 66.41 64.68 1xk2 h THR 26 Cb 0.77 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1xk2 h THR 26 CO 0.06 0.70 -0.47 1.56 0.37 0.00 0.00 175.52 177.73 1xk2 h GLN 27 N 0.19 0.59 -0.05 6.66 4.20 -0.89 -2.39 115.11 123.42 1xk2 h GLN 27 Ca -0.04 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.35 1xk2 h GLN 27 Cb 1.41 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 1xk2 h GLN 27 CO 0.13 0.94 -0.06 0.00 -0.67 0.00 0.00 178.83 179.17 1xk2 h ALA 28 N 1.01 -0.02 0.00 3.87 0.00 -0.97 0.28 119.26 123.43 1xk2 h ALA 28 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xk2 h ALA 28 Cb 1.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xk2 h ALA 28 CO 0.09 -0.54 0.00 -0.85 0.00 0.00 0.00 179.25 177.95 1xk2 n GLU 29 N -5.19 0.12 0.05 0.00 0.28 -0.93 -2.53 120.64 112.44 1xk2 n GLU 29 Ca -0.05 0.23 0.11 0.00 -0.16 0.00 0.00 57.16 57.29 1xk2 n GLU 29 Cb 0.11 -1.68 0.02 0.00 1.43 0.00 0.00 31.44 31.31 1xk2 n GLU 29 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1xk2 n ASN 30 N -1.91 0.62 -4.66 -1.84 5.03 -0.59 -3.86 115.26 108.06 1xk2 n ASN 30 Ca 0.04 -0.01 -0.47 0.00 0.87 0.00 0.00 54.58 55.02 1xk2 n ASN 30 Cb 0.29 0.75 -0.04 0.00 -1.02 0.00 0.00 39.78 39.76 1xk2 n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xk2 n ALA 31 N -1.96 0.97 -0.37 5.41 0.00 0.87 -4.73 120.51 120.70 1xk2 n ALA 31 Ca 0.01 0.45 -0.06 0.00 0.00 0.00 0.00 53.44 53.85 1xk2 n ALA 31 Cb 0.48 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 1xk2 n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xk2 h GLU 32 N 5.50 -0.04 -0.35 0.00 4.81 -1.90 0.03 114.58 122.62 1xk2 h GLU 32 Ca -0.45 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1xk2 h GLU 32 Cb 1.27 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1xk2 h GLU 32 CO 0.85 -0.03 0.00 0.35 -0.73 0.00 0.00 179.01 179.46 1xk2 h PHE 33 N -0.04 -0.02 0.00 0.92 3.04 -1.88 0.50 116.94 119.46 1xk2 h PHE 33 Ca 0.25 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.14 1xk2 h PHE 33 Cb 0.53 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 1xk2 h PHE 33 CO -0.90 -0.06 -0.45 1.98 -2.02 0.00 0.00 178.31 176.86 1xk2 h MET 34 N 0.10 0.00 -0.11 1.11 4.05 -1.67 -2.25 114.93 116.16 1xk2 h MET 34 Ca 0.17 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 1xk2 h MET 34 Cb 0.24 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1xk2 h MET 34 CO -0.29 0.45 -0.03 -0.09 0.23 0.00 0.00 176.91 177.18 1xk2 h ARG 35 N 0.00 0.21 0.00 0.39 2.43 -0.11 -1.42 114.38 115.88 1xk2 h ARG 35 Ca -0.00 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1xk2 h ARG 35 Cb 0.85 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1xk2 h ARG 35 CO 0.06 0.52 -0.09 -0.91 -1.51 0.00 0.00 179.97 178.04 1xk2 h ASN 36 N -0.11 0.00 0.31 -3.80 -0.26 -0.79 0.13 115.58 111.06 1xk2 h ASN 36 Ca 0.03 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.57 1xk2 h ASN 36 Cb 0.44 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1xk2 h ASN 36 CO 0.01 0.09 -0.82 0.15 -1.06 0.00 0.00 177.43 175.80 1xk2 h PHE 37 N 0.00 0.56 0.05 1.19 3.04 -1.10 0.17 116.94 120.85 1xk2 h PHE 37 Ca -0.00 -0.27 -0.00 0.00 3.98 0.00 0.00 57.97 61.68 1xk2 h PHE 37 Cb 0.24 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1xk2 h PHE 37 CO 0.00 1.06 -0.02 1.96 -2.02 0.00 0.00 178.31 179.28 1xk2 h GLN 38 N 0.25 -0.06 -0.04 1.11 4.20 0.22 -1.45 115.11 119.33 1xk2 h GLN 38 Ca -0.05 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1xk2 h GLN 38 Cb 1.42 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.21 1xk2 h GLN 38 CO 0.14 0.22 0.42 0.87 -0.67 0.00 0.00 178.83 179.82 1xk2 h LYS 39 N -0.35 0.00 0.00 1.46 1.57 -0.83 -3.43 116.57 114.98 1xk2 h LYS 39 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xk2 h LYS 39 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1xk2 h LYS 39 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1xk2 n GLY 40 N -1.28 0.79 3.29 3.86 0.00 -0.55 -5.04 105.19 106.26 1xk2 n GLY 40 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1xk2 n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xk2 s GLN 41 N -0.83 2.96 -0.15 1.61 -2.07 0.58 -4.69 119.66 117.08 1xk2 s GLN 41 Ca 0.00 -1.85 -0.08 0.00 -1.82 0.00 0.00 55.36 51.62 1xk2 s GLN 41 Cb 0.00 -4.23 0.06 0.00 -1.09 0.00 0.00 33.01 27.75 1xk2 s GLN 41 CO 0.00 -1.29 0.35 0.54 -1.32 0.00 0.00 175.29 173.57 1xk2 s VAL 42 N 1.31 -0.09 0.68 3.63 0.11 -1.26 -4.00 120.40 120.78 1xk2 s VAL 42 Ca 0.06 0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 59.17 1xk2 s VAL 42 Cb -0.26 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1xk2 s VAL 42 CO 0.00 0.05 0.99 0.42 -3.33 0.00 0.00 175.10 173.23 1xk2 s THR 43 N 1.48 2.63 0.30 5.04 -4.23 -1.26 -4.70 115.64 114.91 1xk2 s THR 43 Ca -0.08 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1xk2 s THR 43 Cb -0.09 -3.12 0.18 0.00 1.34 0.00 0.00 72.50 70.81 1xk2 s THR 43 CO -0.11 -0.13 1.88 0.03 -0.54 0.00 0.00 174.62 175.75 1xk2 h ARG 44 N -0.50 0.80 -0.67 3.99 3.08 -1.94 0.43 114.38 119.57 1xk2 h ARG 44 Ca -0.45 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.42 1xk2 h ARG 44 Cb 1.30 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 1xk2 h ARG 44 CO 0.60 0.68 0.21 -0.44 -1.07 0.00 0.00 179.97 179.95 1xk2 h ASP 45 N 0.79 0.98 -0.17 7.04 3.32 -1.99 0.21 116.42 126.59 1xk2 h ASP 45 Ca 0.18 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1xk2 h ASP 45 Cb 0.20 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xk2 h ASP 45 CO -0.01 0.92 -0.39 1.23 -1.72 0.00 0.00 179.24 179.27 1xk2 h GLY 46 N 0.98 0.63 0.99 2.75 0.00 -1.83 -2.66 103.07 103.91 1xk2 h GLY 46 Ca 0.22 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1xk2 h GLY 46 CO -0.01 0.69 0.26 -2.75 0.00 0.00 0.00 176.54 174.73 1xk2 h PHE 47 N 0.23 0.85 -0.74 5.60 3.57 -0.78 -0.97 116.94 124.70 1xk2 h PHE 47 Ca 0.00 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1xk2 h PHE 47 Cb 1.00 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 1xk2 h PHE 47 CO 0.10 0.67 0.44 0.87 -2.23 0.00 0.00 178.31 178.15 1xk2 h LYS 48 N 0.79 0.80 -0.68 1.11 1.57 -0.59 0.06 116.57 119.62 1xk2 h LYS 48 Ca 0.20 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1xk2 h LYS 48 Cb 0.15 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1xk2 h LYS 48 CO -0.02 0.53 0.21 -0.07 -0.57 0.00 0.00 179.45 179.52 1xk2 h LEU 49 N 0.82 1.00 -0.65 2.94 3.38 -1.07 -0.50 115.31 121.22 1xk2 h LEU 49 Ca 0.32 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xk2 h LEU 49 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1xk2 h LEU 49 CO -0.17 0.94 0.41 0.58 0.09 0.00 0.00 178.44 180.30 1xk2 h VAL 50 N 1.00 1.18 -0.40 1.22 2.07 -0.25 -1.53 116.25 119.53 1xk2 h VAL 50 Ca 0.22 -0.36 -0.16 0.00 0.82 0.00 0.00 66.70 67.22 1xk2 h VAL 50 Cb 0.31 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1xk2 h VAL 50 CO -0.01 0.18 -0.36 0.24 0.02 0.00 0.00 177.57 177.65 1xk2 h MET 51 N 0.88 0.95 -0.79 1.57 2.86 -0.75 -2.49 114.93 117.17 1xk2 h MET 51 Ca 0.24 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1xk2 h MET 51 Cb -0.06 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1xk2 h MET 51 CO -0.05 1.15 0.41 0.00 1.06 0.00 0.00 176.91 179.48 1xk2 h ALA 52 N 0.79 1.02 -0.15 6.32 0.00 -0.90 -1.02 119.26 125.32 1xk2 h ALA 52 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xk2 h ALA 52 Cb 0.95 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xk2 h ALA 52 CO 0.09 0.55 0.08 0.77 0.00 0.00 0.00 179.25 180.74 1xk2 h SER 53 N 1.11 0.12 -0.89 0.00 0.02 -1.16 -2.42 113.55 110.33 1xk2 h SER 53 Ca 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1xk2 h SER 53 Cb 0.07 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1xk2 h SER 53 CO -0.04 0.09 0.52 -0.07 -1.14 0.00 0.00 176.83 176.19 1xk2 h LEU 54 N 0.17 1.09 -0.18 5.07 3.38 -1.11 -1.78 115.31 121.95 1xk2 h LEU 54 Ca 0.06 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1xk2 h LEU 54 Cb 0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1xk2 h LEU 54 CO -0.04 0.85 -0.07 0.22 0.09 0.00 0.00 178.44 179.50 1xk2 h TYR 55 N 1.24 -0.15 -0.62 1.13 3.20 -0.81 0.20 116.97 121.16 1xk2 h TYR 55 Ca 0.32 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 1xk2 h TYR 55 Cb -0.02 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1xk2 h TYR 55 CO 0.01 -0.11 0.25 0.45 -1.64 0.00 0.00 178.16 177.12 1xk2 h HIS 56 N -0.04 0.94 0.03 -3.82 3.86 -1.03 -0.92 115.15 114.18 1xk2 h HIS 56 Ca 0.09 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1xk2 h HIS 56 Cb 0.18 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1xk2 h HIS 56 CO -0.22 0.74 -0.02 0.82 0.86 0.00 0.00 177.93 180.11 1xk2 h ILE 57 N 0.86 1.14 -0.11 2.45 2.04 -1.12 -2.30 117.51 120.48 1xk2 h ILE 57 Ca 0.21 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1xk2 h ILE 57 Cb 0.20 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1xk2 h ILE 57 CO -0.02 0.14 -0.22 1.88 0.00 0.00 0.00 178.15 179.94 1xk2 h TYR 58 N -0.28 0.20 -0.39 1.37 0.05 -0.91 0.42 116.97 117.44 1xk2 h TYR 58 Ca -0.00 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 1xk2 h TYR 58 Cb 0.26 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1xk2 h TYR 58 CO 0.01 0.39 0.02 0.28 -1.05 0.00 0.00 178.16 177.81 1xk2 h VAL 59 N 0.17 1.25 -0.04 -2.88 2.07 -1.08 0.26 116.25 116.01 1xk2 h VAL 59 Ca 0.03 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1xk2 h VAL 59 Cb 0.48 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1xk2 h VAL 59 CO 0.03 0.32 -0.03 0.00 0.02 0.00 0.00 177.57 177.91 1xk2 h ALA 60 N 0.89 0.05 -0.84 1.67 0.00 -0.96 -1.76 119.26 118.31 1xk2 h ALA 60 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xk2 h ALA 60 Cb 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1xk2 h ALA 60 CO 0.02 -0.17 0.55 1.25 0.00 0.00 0.00 179.25 180.90 1xk2 h LEU 61 N -0.37 0.97 -0.49 0.00 5.85 -0.14 -2.54 115.31 118.59 1xk2 h LEU 61 Ca 0.01 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1xk2 h LEU 61 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1xk2 h LEU 61 CO 0.01 0.71 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.04 1xk2 h GLU 62 N 1.14 0.00 0.00 1.25 5.08 -0.46 -1.57 114.58 120.02 1xk2 h GLU 62 Ca 0.31 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1xk2 h GLU 62 Cb -0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1xk2 h GLU 62 CO -0.07 0.45 -0.55 1.05 -1.00 0.00 0.00 179.01 178.89 1xk2 h GLU 63 N 0.00 0.00 0.02 2.33 4.11 -1.12 -2.58 114.58 117.34 1xk2 h GLU 63 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.21 1xk2 h GLU 63 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1xk2 h GLU 63 CO 0.06 0.55 -0.95 0.93 0.07 0.00 0.00 179.01 179.66 1xk2 h GLU 64 N 0.00 0.23 -0.53 1.06 4.39 -1.34 -2.27 114.58 116.12 1xk2 h GLU 64 Ca -0.01 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 1xk2 h GLU 64 Cb 1.40 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 1xk2 h GLU 64 CO 0.07 1.02 -0.04 0.82 -1.16 0.00 0.00 179.01 179.73 1xk2 h ILE 65 N 0.12 1.26 -0.29 3.13 2.04 -1.25 -2.07 117.51 120.44 1xk2 h ILE 65 Ca -0.06 -1.14 -0.12 0.00 1.00 0.00 0.00 64.86 64.54 1xk2 h ILE 65 Cb 1.61 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1xk2 h ILE 65 CO 0.15 0.40 -0.31 -0.33 0.00 0.00 0.00 178.15 178.06 1xk2 h GLU 66 N 0.85 0.61 -0.53 2.37 4.39 -1.40 0.43 114.58 121.30 1xk2 h GLU 66 Ca 0.15 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1xk2 h GLU 66 Cb 0.55 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1xk2 h GLU 66 CO 0.03 0.85 0.12 -0.09 -1.16 0.00 0.00 179.01 178.77 1xk2 h ARG 67 N 0.53 0.85 -0.37 2.33 2.43 -1.12 -3.21 114.38 115.81 1xk2 h ARG 67 Ca 0.06 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1xk2 h ARG 67 Cb 0.80 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1xk2 h ARG 67 CO 0.07 0.81 0.00 0.09 -1.51 0.00 0.00 179.97 179.42 1xk2 n ASN 68 N -4.42 4.36 -0.14 -3.80 4.13 -0.80 -4.67 115.26 109.91 1xk2 n ASN 68 Ca 0.02 -2.91 0.00 0.00 1.68 0.00 0.00 54.58 53.37 1xk2 n ASN 68 Cb 0.23 -0.57 0.27 0.00 -1.54 0.00 0.00 39.78 38.17 1xk2 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1xk2 h LYS 69 N 2.50 0.84 0.00 3.52 2.10 -0.91 -2.57 116.57 122.04 1xk2 h LYS 69 Ca 0.00 -0.09 -0.11 0.00 -2.00 0.00 0.00 60.65 58.46 1xk2 h LYS 69 Cb 1.55 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.69 1xk2 h LYS 69 CO 0.28 0.62 -0.51 0.93 -2.00 0.00 0.00 179.45 178.76 1xk2 h GLU 70 N 0.84 0.00 -6.91 0.07 4.39 -1.84 -3.04 114.58 108.09 1xk2 h GLU 70 Ca 0.22 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.38 1xk2 h GLU 70 Cb 0.02 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 28.77 1xk2 h GLU 70 CO -0.04 0.51 0.77 0.45 -1.16 0.00 0.00 179.01 179.54 1xk2 s SER 71 N -6.52 6.43 0.00 1.42 0.15 -0.97 -4.74 113.70 109.48 1xk2 s SER 71 Ca 0.01 2.96 0.00 0.00 0.70 0.00 0.00 55.95 59.63 1xk2 s SER 71 Cb 0.10 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1xk2 s SER 71 CO 0.73 -0.81 0.94 -0.81 1.20 0.00 0.00 173.24 174.49 1xk2 n PRO 72 N 0.77 0.00 0.01 5.44 -0.04 -1.26 -1.47 135.00 138.45 1xk2 n PRO 72 Ca 0.02 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 1xk2 n PRO 72 Cb 0.39 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.64 1xk2 n PRO 72 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xk2 n VAL 73 N -1.44 0.06 0.00 0.52 0.24 -1.26 -4.59 118.33 111.85 1xk2 n VAL 73 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1xk2 n VAL 73 Cb 0.00 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 1xk2 n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1xk2 n PHE 74 N -1.60 0.00 -0.21 6.34 7.35 -0.54 -4.78 117.46 124.01 1xk2 n PHE 74 Ca 0.05 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.77 1xk2 n PHE 74 Cb 0.35 0.04 0.07 0.00 0.35 0.00 0.00 39.48 40.29 1xk2 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xk2 n ALA 75 N -1.99 0.09 -0.17 3.13 0.00 -0.60 0.73 120.51 121.69 1xk2 n ALA 75 Ca 0.00 0.62 0.28 0.00 0.00 0.00 0.00 53.44 54.34 1xk2 n ALA 75 Cb 0.19 -0.35 0.72 0.00 0.00 0.00 0.00 19.45 20.02 1xk2 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xk2 h PRO 76 N 0.00 0.00 -0.33 0.00 0.11 -1.84 0.31 132.00 130.24 1xk2 h PRO 76 Ca 0.26 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 1xk2 h PRO 76 Cb 0.40 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.44 1xk2 h PRO 76 CO -0.59 0.00 -0.01 1.33 -0.21 0.00 0.00 178.00 178.52 1xk2 n VAL 77 N -4.24 2.46 -3.00 3.15 0.24 0.22 -4.82 118.33 112.35 1xk2 n VAL 77 Ca 0.18 -2.36 -0.43 0.00 -2.04 0.00 0.00 64.34 59.70 1xk2 n VAL 77 Cb 0.96 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.97 1xk2 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xk2 s TYR 78 N -3.08 3.00 -0.48 6.34 5.04 0.09 -4.94 117.35 123.32 1xk2 s TYR 78 Ca 0.44 0.07 0.08 0.00 -2.44 0.00 0.00 57.07 55.22 1xk2 s TYR 78 Cb 0.38 -3.62 0.27 0.00 0.35 0.00 0.00 41.96 39.34 1xk2 s TYR 78 CO 0.04 -0.99 0.64 1.19 -1.34 0.00 0.00 175.55 175.09 1xk2 n PHE 79 N 6.65 1.25 -0.01 4.97 3.72 -1.26 -5.01 117.46 127.77 1xk2 n PHE 79 Ca 0.01 -3.81 -0.11 0.00 -0.05 0.00 0.00 57.45 53.49 1xk2 n PHE 79 Cb 0.48 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.54 1xk2 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xk2 h PRO 80 N 3.88 -0.43 -0.53 -1.08 0.13 -1.98 -2.29 132.00 129.70 1xk2 h PRO 80 Ca 0.12 0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 1xk2 h PRO 80 Cb 0.80 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1xk2 h PRO 80 CO 0.61 -0.29 0.23 0.93 -0.23 0.00 0.00 178.00 179.25 1xk2 h GLU 81 N -0.45 0.78 0.00 0.86 4.39 -1.96 -1.54 114.58 116.66 1xk2 h GLU 81 Ca 0.09 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1xk2 h GLU 81 Cb 0.60 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1xk2 h GLU 81 CO -0.39 0.67 -0.54 0.93 -1.16 0.00 0.00 179.01 178.52 1xk2 h GLU 82 N 0.72 0.00 0.00 2.33 3.07 -1.80 -3.39 114.58 115.51 1xk2 h GLU 82 Ca 0.18 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1xk2 h GLU 82 Cb 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1xk2 h GLU 82 CO -0.02 0.54 -1.26 1.28 -1.40 0.00 0.00 179.01 178.15 1xk2 n LEU 83 N -3.88 0.00 -4.59 1.33 4.77 -0.87 -4.62 117.00 109.14 1xk2 n LEU 83 Ca -0.01 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.45 1xk2 n LEU 83 Cb 0.55 0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1xk2 n LEU 83 CO 0.41 0.01 0.90 0.00 -1.33 0.00 0.00 177.39 177.38 1xk2 n HIS 84 N -1.73 1.52 0.03 -1.77 1.44 -0.58 -4.88 115.22 109.24 1xk2 n HIS 84 Ca -0.02 0.63 0.03 0.00 -2.01 0.00 0.00 57.72 56.35 1xk2 n HIS 84 Cb 0.18 -2.33 -0.04 0.00 0.12 0.00 0.00 29.99 27.92 1xk2 n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xk2 n ARG 85 N 2.49 0.80 -0.09 -1.40 5.12 -1.26 -4.79 116.66 117.53 1xk2 n ARG 85 Ca 0.18 -0.04 -0.10 0.00 -1.93 0.00 0.00 57.85 55.96 1xk2 n ARG 85 Cb 0.20 -1.07 -0.05 0.00 -1.16 0.00 0.00 32.46 30.38 1xk2 n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1xk2 h LYS 86 N 0.00 -0.35 -0.76 5.56 3.64 -1.89 -0.92 116.57 121.83 1xk2 h LYS 86 Ca 0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1xk2 h LYS 86 Cb 0.22 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 1xk2 h LYS 86 CO 0.00 -0.24 0.38 0.00 -2.27 0.00 0.00 179.45 177.33 1xk2 h ALA 87 N 0.36 1.09 -0.50 5.00 0.00 -2.00 -0.28 119.26 122.92 1xk2 h ALA 87 Ca 0.12 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1xk2 h ALA 87 Cb 0.59 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1xk2 h ALA 87 CO -0.52 -0.05 0.06 0.00 0.00 0.00 0.00 179.25 178.74 1xk2 h ALA 88 N 1.48 1.18 -0.02 0.00 0.00 -1.66 -2.13 119.26 118.10 1xk2 h ALA 88 Ca 0.39 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1xk2 h ALA 88 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xk2 h ALA 88 CO -0.30 0.55 -0.71 -0.07 0.00 0.00 0.00 179.25 178.72 1xk2 h LEU 89 N 0.75 0.12 -0.48 0.00 3.38 -0.01 -2.37 115.31 116.71 1xk2 h LEU 89 Ca 0.16 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1xk2 h LEU 89 Cb 0.36 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xk2 h LEU 89 CO 0.01 0.79 -0.02 -0.33 0.09 0.00 0.00 178.44 178.98 1xk2 h GLU 90 N 0.07 0.86 -0.23 1.13 5.08 -0.86 -0.44 114.58 120.19 1xk2 h GLU 90 Ca -0.01 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1xk2 h GLU 90 Cb 1.25 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1xk2 h GLU 90 CO 0.10 0.91 0.09 1.96 -1.00 0.00 0.00 179.01 181.07 1xk2 h GLN 91 N 0.71 0.20 -0.34 2.33 1.08 -1.25 -2.28 115.11 115.56 1xk2 h GLN 91 Ca 0.13 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.21 1xk2 h GLN 91 Cb 0.53 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1xk2 h GLN 91 CO 0.03 0.13 -0.26 -0.44 -0.95 0.00 0.00 178.83 177.34 1xk2 h ASP 92 N 0.21 0.71 0.71 1.46 3.32 -1.24 -2.99 116.42 118.60 1xk2 h ASP 92 Ca 0.10 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 1xk2 h ASP 92 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1xk2 h ASP 92 CO -0.08 0.95 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.98 1xk2 h LEU 93 N 0.60 0.00 -0.96 1.55 3.38 -0.98 0.23 115.31 119.13 1xk2 h LEU 93 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1xk2 h LEU 93 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1xk2 h LEU 93 CO 0.06 0.33 -0.49 0.00 0.09 0.00 0.00 178.44 178.44 1xk2 h ALA 94 N 1.67 1.09 0.00 1.53 0.00 -1.27 0.12 119.26 122.40 1xk2 h ALA 94 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1xk2 h ALA 94 Cb 0.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xk2 h ALA 94 CO 0.04 0.61 -0.21 0.35 0.00 0.00 0.00 179.25 180.04 1xk2 h PHE 95 N 0.00 0.02 0.00 0.00 3.57 -1.26 0.15 116.94 119.42 1xk2 h PHE 95 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1xk2 h PHE 95 Cb 0.92 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1xk2 h PHE 95 CO 0.00 1.08 -0.08 -1.49 -2.23 0.00 0.00 178.31 175.59 1xk2 h TRP 96 N -0.98 0.00 0.00 0.41 4.06 -0.56 -3.33 115.95 115.55 1xk2 h TRP 96 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1xk2 h TRP 96 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 1xk2 h TRP 96 CO 0.25 0.08 -0.35 0.66 -3.56 0.00 0.00 178.44 175.52 1xk2 n TYR 97 N -3.20 0.00 0.00 0.49 4.02 0.40 -5.06 117.16 113.82 1xk2 n TYR 97 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1xk2 n TYR 97 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1xk2 n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xk2 n GLY 98 N 1.37 0.52 0.44 2.72 0.00 0.04 -4.36 105.19 105.91 1xk2 n GLY 98 Ca 0.00 -1.93 0.25 0.00 0.00 0.00 0.00 46.02 44.34 1xk2 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xk2 h PRO 99 N 0.00 0.00 -0.63 1.61 0.13 -1.91 -0.84 132.00 130.36 1xk2 h PRO 99 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xk2 h PRO 99 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xk2 h PRO 99 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 1xk2 n ARG 100 N -3.86 4.30 -0.31 0.86 5.12 -1.26 -4.68 116.66 116.83 1xk2 n ARG 100 Ca 0.14 -3.04 0.10 0.00 -1.93 0.00 0.00 57.85 53.12 1xk2 n ARG 100 Cb 0.86 -2.08 0.23 0.00 -1.16 0.00 0.00 32.46 30.32 1xk2 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.93 0.00 0.00 177.63 175.81 1xk2 h TRP 101 N 4.13 -0.03 -0.27 -1.55 5.08 -1.34 0.12 115.95 122.08 1xk2 h TRP 101 Ca 0.00 0.06 0.08 0.00 1.08 0.00 0.00 58.89 60.11 1xk2 h TRP 101 Cb 1.71 0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 28.01 1xk2 h TRP 101 CO 0.93 -0.34 0.22 0.37 -1.28 0.00 0.00 178.44 178.35 1xk2 h GLN 102 N 0.07 0.00 0.00 0.12 4.15 -1.85 -0.16 115.11 117.44 1xk2 h GLN 102 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.94 1xk2 h GLN 102 Cb 1.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1xk2 h GLN 102 CO -0.80 0.00 -0.81 0.93 -1.93 0.00 0.00 178.83 176.22 1xk2 h GLU 103 N 0.00 0.00 0.00 1.69 5.08 -1.15 -3.39 114.58 116.81 1xk2 h GLU 103 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xk2 h GLU 103 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1xk2 h GLU 103 CO -0.00 0.00 -0.26 1.33 -1.00 0.00 0.00 179.01 179.08 1xk2 n VAL 104 N -2.69 0.00 -2.00 3.13 0.24 -0.53 -5.02 118.33 111.45 1xk2 n VAL 104 Ca 0.01 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.34 61.56 1xk2 n VAL 104 Cb 0.54 0.98 0.02 0.00 -1.47 0.00 0.00 33.84 33.91 1xk2 n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1xk2 s ILE 105 N -1.49 2.57 0.66 1.34 -4.36 -0.18 -4.98 121.20 114.75 1xk2 s ILE 105 Ca 0.02 0.40 -0.11 0.00 -0.26 0.00 0.00 60.65 60.70 1xk2 s ILE 105 Cb 0.04 -3.19 -0.02 0.00 1.25 0.00 0.00 42.46 40.54 1xk2 s ILE 105 CO 0.20 -0.03 1.05 -2.16 0.24 0.00 0.00 174.94 174.24 1xk2 s PRO 106 N -2.99 3.27 -0.34 0.37 0.04 -1.26 -5.04 135.00 129.06 1xk2 s PRO 106 Ca 0.71 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 1xk2 s PRO 106 Cb -0.33 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.30 1xk2 s PRO 106 CO 0.39 -0.83 0.22 -0.47 0.04 0.00 0.00 177.00 176.35 1xk2 s TYR 107 N -3.12 0.44 0.54 0.56 5.04 -1.26 -4.86 117.35 114.68 1xk2 s TYR 107 Ca 0.56 -1.29 -0.02 0.00 -2.44 0.00 0.00 57.07 53.89 1xk2 s TYR 107 Cb -0.12 -0.82 0.02 0.00 0.35 0.00 0.00 41.96 41.38 1xk2 s TYR 107 CO 0.54 -0.85 0.79 0.95 -1.34 0.00 0.00 175.55 175.65 1xk2 s THR 108 N 1.41 3.38 0.25 4.34 -4.23 -1.26 -4.91 115.64 114.62 1xk2 s THR 108 Ca 0.15 -0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.25 1xk2 s THR 108 Cb -0.20 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.57 1xk2 s THR 108 CO -0.10 -0.25 1.82 -0.65 -0.54 0.00 0.00 174.62 174.91 1xk2 h PRO 109 N 0.06 0.84 -0.19 3.99 0.11 -2.01 0.28 132.00 135.08 1xk2 h PRO 109 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1xk2 h PRO 109 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1xk2 h PRO 109 CO 0.57 0.56 -0.31 0.00 -0.21 0.00 0.00 178.00 178.61 1xk2 h ALA 110 N 1.47 1.12 -0.40 -0.75 0.00 -1.95 -0.42 119.26 118.34 1xk2 h ALA 110 Ca 0.42 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1xk2 h ALA 110 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xk2 h ALA 110 CO -0.24 0.56 -0.33 0.52 0.00 0.00 0.00 179.25 179.76 1xk2 h MET 111 N 0.32 0.90 -0.49 0.00 2.86 -1.67 -3.07 114.93 113.78 1xk2 h MET 111 Ca 0.04 -0.44 -0.09 0.00 -2.06 0.00 0.00 59.70 57.16 1xk2 h MET 111 Cb 0.72 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1xk2 h MET 111 CO 0.05 1.09 -0.05 0.37 1.06 0.00 0.00 176.91 179.44 1xk2 h GLN 112 N 0.75 0.86 -0.60 1.72 4.15 -0.35 -1.42 115.11 120.21 1xk2 h GLN 112 Ca 0.08 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.18 1xk2 h GLN 112 Cb 0.90 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 1xk2 h GLN 112 CO 0.08 0.89 0.17 0.00 -1.93 0.00 0.00 178.83 178.04 1xk2 h ARG 113 N 0.79 0.95 -0.12 1.69 3.08 -1.10 0.11 114.38 119.77 1xk2 h ARG 113 Ca 0.14 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xk2 h ARG 113 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1xk2 h ARG 113 CO 0.03 0.86 0.06 -0.92 -1.07 0.00 0.00 179.97 178.93 1xk2 h TYR 114 N 0.87 0.18 -0.82 3.04 5.03 -1.41 -1.88 116.97 121.97 1xk2 h TYR 114 Ca 0.19 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1xk2 h TYR 114 Cb 0.31 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.50 1xk2 h TYR 114 CO 0.02 0.22 0.42 0.28 -1.32 0.00 0.00 178.16 177.78 1xk2 h VAL 115 N 0.08 1.25 -0.18 1.81 2.07 -1.03 -2.42 116.25 117.83 1xk2 h VAL 115 Ca 0.04 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1xk2 h VAL 115 Cb 0.11 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1xk2 h VAL 115 CO -0.01 0.29 0.07 0.50 0.02 0.00 0.00 177.57 178.45 1xk2 h LYS 116 N 1.16 0.26 -0.50 1.57 3.64 -0.59 -2.70 116.57 119.42 1xk2 h LYS 116 Ca 0.29 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1xk2 h LYS 116 Cb 0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1xk2 h LYS 116 CO -0.04 0.33 0.11 -0.09 -2.27 0.00 0.00 179.45 177.49 1xk2 h ARG 117 N 0.13 0.76 -0.16 1.90 9.65 -1.22 -1.26 114.38 124.18 1xk2 h ARG 117 Ca 0.06 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1xk2 h ARG 117 Cb 0.17 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1xk2 h ARG 117 CO -0.01 0.69 0.09 -0.07 2.80 0.00 0.00 179.97 183.48 1xk2 h LEU 118 N 0.73 0.19 -0.87 3.80 3.38 -1.30 0.02 115.31 121.26 1xk2 h LEU 118 Ca 0.16 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1xk2 h LEU 118 Cb 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xk2 h LEU 118 CO -0.00 0.18 -0.32 0.45 0.09 0.00 0.00 178.44 178.84 1xk2 h HIS 119 N 0.18 0.51 0.06 1.13 3.86 -1.34 0.82 115.15 120.37 1xk2 h HIS 119 Ca 0.06 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1xk2 h HIS 119 Cb 0.03 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1xk2 h HIS 119 CO -0.05 0.72 -0.03 1.49 0.86 0.00 0.00 177.93 180.92 1xk2 h GLU 120 N 0.39 -0.08 -0.44 2.45 4.81 -0.93 0.60 114.58 121.38 1xk2 h GLU 120 Ca 0.05 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1xk2 h GLU 120 Cb 0.76 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1xk2 h GLU 120 CO 0.06 0.03 -0.00 0.28 -0.73 0.00 0.00 179.01 178.65 1xk2 h VAL 121 N -0.18 1.26 -0.24 0.32 2.07 -0.87 0.14 116.25 118.75 1xk2 h VAL 121 Ca -0.01 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1xk2 h VAL 121 Cb 0.15 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1xk2 h VAL 121 CO 0.01 0.36 -0.04 1.23 0.02 0.00 0.00 177.57 179.15 1xk2 h GLY 122 N 0.63 0.40 0.96 2.17 0.00 -0.56 0.14 103.07 106.80 1xk2 h GLY 122 Ca 0.12 -0.23 -0.30 0.00 0.00 0.00 0.00 47.33 46.92 1xk2 h GLY 122 CO 0.02 0.21 -1.73 3.21 0.00 0.00 0.00 176.54 178.25 1xk2 h ARG 123 N 0.36 0.07 0.00 4.80 3.08 0.46 -3.39 114.38 119.75 1xk2 h ARG 123 Ca 0.08 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1xk2 h ARG 123 Cb 0.31 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1xk2 h ARG 123 CO 0.01 0.69 -1.27 0.25 -1.07 0.00 0.00 179.97 178.58 1xk2 n THR 124 N -3.17 0.24 -3.00 2.04 -2.24 0.46 -4.84 114.28 103.77 1xk2 n THR 124 Ca -0.19 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.26 1xk2 n THR 124 Cb 1.05 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1xk2 n THR 124 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xk2 n GLU 125 N -2.07 1.28 -0.48 -0.78 0.28 -0.56 -4.95 120.64 113.36 1xk2 n GLU 125 Ca -0.06 -3.50 0.41 0.00 -0.16 0.00 0.00 57.16 53.85 1xk2 n GLU 125 Cb 0.55 -1.64 0.73 0.00 1.43 0.00 0.00 31.44 32.52 1xk2 n GLU 125 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1xk2 h PRO 126 N 2.98 0.05 0.00 3.44 0.11 -0.97 0.15 132.00 137.77 1xk2 h PRO 126 Ca 0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1xk2 h PRO 126 Cb 0.99 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1xk2 h PRO 126 CO 0.54 0.03 0.08 -0.85 -0.21 0.00 0.00 178.00 177.59 1xk2 n GLU 127 N -4.25 0.07 0.02 1.05 0.00 -1.26 -0.83 120.64 115.44 1xk2 n GLU 127 Ca 0.35 0.54 0.11 0.00 0.00 0.00 0.00 57.16 58.15 1xk2 n GLU 127 Cb 1.53 -1.80 -0.13 0.00 0.00 0.00 0.00 31.44 31.04 1xk2 n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xk2 n LEU 128 N -1.85 0.22 -0.38 -1.84 4.77 0.53 -4.46 117.00 113.99 1xk2 n LEU 128 Ca -0.01 0.09 0.30 0.00 -0.03 0.00 0.00 56.01 56.36 1xk2 n LEU 128 Cb 0.09 -0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.75 1xk2 n LEU 128 CO 0.05 -0.03 1.21 0.25 -1.33 0.00 0.00 177.39 177.53 1xk2 h LEU 129 N 0.00 0.36 -2.74 2.23 5.85 -1.13 0.68 115.31 120.56 1xk2 h LEU 129 Ca -0.01 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xk2 h LEU 129 Cb 1.03 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1xk2 h LEU 129 CO 0.00 -0.08 -0.00 1.62 -0.34 0.00 0.00 178.44 179.63 1xk2 h VAL 130 N 0.23 0.06 -0.10 1.05 3.04 -1.78 0.43 116.25 119.18 1xk2 h VAL 130 Ca 0.73 -0.08 -0.18 0.00 -1.01 0.00 0.00 66.70 66.15 1xk2 h VAL 130 Cb 2.05 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 32.40 1xk2 h VAL 130 CO -0.41 0.00 -0.71 0.00 -1.01 0.00 0.00 177.57 175.45 1xk2 h ALA 131 N 2.00 0.58 0.22 3.17 0.00 0.08 -2.49 119.26 122.83 1xk2 h ALA 131 Ca -0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 54.91 54.00 1xk2 h ALA 131 Cb 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 17.84 1xk2 h ALA 131 CO 0.00 0.74 -1.40 0.45 0.00 0.00 0.00 179.25 179.04 1xk2 h HIS 132 N 0.33 0.98 -0.71 0.00 -0.00 -1.04 -2.97 115.15 111.74 1xk2 h HIS 132 Ca -0.03 -0.69 0.01 0.00 -0.00 0.00 0.00 60.37 59.66 1xk2 h HIS 132 Cb 1.28 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.61 1xk2 h HIS 132 CO 0.05 1.53 0.46 0.00 -0.00 0.00 0.00 177.93 179.98 1xk2 h ALA 133 N 0.17 0.90 0.46 2.45 0.00 -1.19 -1.83 119.26 120.23 1xk2 h ALA 133 Ca -0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xk2 h ALA 133 Cb 2.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1xk2 h ALA 133 CO 0.26 0.33 -0.27 -0.92 0.00 0.00 0.00 179.25 178.64 1xk2 h TYR 134 N 0.96 -0.72 0.17 0.00 3.20 -1.53 -1.51 116.97 117.53 1xk2 h TYR 134 Ca 0.26 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.14 1xk2 h TYR 134 Cb -0.10 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1xk2 h TYR 134 CO -0.02 -0.43 -0.37 1.15 -1.64 0.00 0.00 178.16 176.86 1xk2 h THR 135 N -0.70 0.24 0.00 1.81 2.02 -1.34 -2.48 112.91 112.46 1xk2 h THR 135 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1xk2 h THR 135 Cb 0.57 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1xk2 h THR 135 CO 0.06 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.49 1xk2 n ARG 136 N -5.45 0.00 0.01 6.66 5.12 -0.70 -2.36 116.66 119.94 1xk2 n ARG 136 Ca -0.07 0.39 -0.05 0.00 -1.93 0.00 0.00 57.85 56.19 1xk2 n ARG 136 Cb 0.36 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 1xk2 n ARG 136 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1xk2 h TYR 137 N 0.00 -0.48 -0.35 -1.55 0.05 -1.39 0.43 116.97 113.69 1xk2 h TYR 137 Ca 0.00 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.82 1xk2 h TYR 137 Cb 0.00 0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1xk2 h TYR 137 CO 0.14 -0.17 0.23 -0.07 -1.05 0.00 0.00 178.16 177.24 1xk2 h LEU 138 N -0.19 0.32 0.00 3.88 3.38 -1.57 0.25 115.31 121.37 1xk2 h LEU 138 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xk2 h LEU 138 Cb 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xk2 h LEU 138 CO -0.12 0.22 -0.00 1.23 0.09 0.00 0.00 178.44 179.86 1xk2 h GLY 139 N 0.37 -0.00 2.00 0.83 0.00 -1.05 -2.28 103.07 102.93 1xk2 h GLY 139 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 1xk2 h GLY 139 CO -0.03 -0.00 -0.36 -0.55 0.00 0.00 0.00 176.54 175.59 1xk2 h ASP 140 N -0.32 0.00 -0.07 0.19 3.32 0.59 -2.67 116.42 117.46 1xk2 h ASP 140 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1xk2 h ASP 140 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xk2 h ASP 140 CO 0.00 0.36 -0.13 0.25 -1.72 0.00 0.00 179.24 178.00 1xk2 h LEU 141 N 0.00 0.23 -0.34 1.55 5.85 -0.49 -0.68 115.31 121.43 1xk2 h LEU 141 Ca -0.00 -0.57 -0.13 0.00 0.84 0.00 0.00 57.88 58.02 1xk2 h LEU 141 Cb 0.74 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1xk2 h LEU 141 CO 0.05 0.75 -0.29 0.77 -0.34 0.00 0.00 178.44 179.39 1xk2 h SER 142 N -0.28 0.85 0.72 1.25 4.64 -1.39 -3.19 113.55 116.15 1xk2 h SER 142 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1xk2 h SER 142 Cb 0.72 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1xk2 h SER 142 CO 0.03 1.12 -0.54 0.61 -0.87 0.00 0.00 176.83 177.18 1xk2 n GLY 143 N 0.09 -1.35 0.36 -0.77 0.00 -1.01 -4.52 105.19 97.99 1xk2 n GLY 143 Ca -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1xk2 n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xk2 h GLY 144 N 4.74 0.04 1.85 -0.02 0.00 -1.10 -2.45 103.07 106.13 1xk2 h GLY 144 Ca 0.00 0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 1xk2 h GLY 144 CO 0.00 -0.21 -0.20 1.46 0.00 0.00 0.00 176.54 177.59 1xk2 h GLN 145 N -0.07 0.18 0.13 4.80 1.08 -1.79 -2.14 115.11 117.30 1xk2 h GLN 145 Ca 0.30 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1xk2 h GLN 145 Cb 0.58 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1xk2 h GLN 145 CO -0.85 0.38 -0.06 0.28 -0.95 0.00 0.00 178.83 177.62 1xk2 h VAL 146 N 0.17 1.01 -0.81 -0.54 2.07 -1.75 -2.91 116.25 113.48 1xk2 h VAL 146 Ca 0.03 -1.14 0.12 0.00 0.82 0.00 0.00 66.70 66.53 1xk2 h VAL 146 Cb 0.46 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1xk2 h VAL 146 CO 0.03 0.25 0.53 -0.07 0.02 0.00 0.00 177.57 178.32 1xk2 h LEU 147 N -0.77 0.60 0.34 2.57 3.38 -1.47 -1.91 115.31 118.05 1xk2 h LEU 147 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1xk2 h LEU 147 Cb 0.54 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xk2 h LEU 147 CO 0.03 0.33 -0.17 0.50 0.09 0.00 0.00 178.44 179.23 1xk2 h LYS 148 N 0.65 -0.45 -0.97 1.13 3.64 -1.40 0.35 116.57 119.52 1xk2 h LYS 148 Ca 0.39 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.89 1xk2 h LYS 148 Cb 0.60 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.45 1xk2 h LYS 148 CO -0.15 -0.21 0.62 -0.22 -2.27 0.00 0.00 179.45 177.22 1xk2 h LYS 149 N -0.61 1.01 -0.00 1.90 3.64 -1.26 -0.94 116.57 120.30 1xk2 h LYS 149 Ca -0.05 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1xk2 h LYS 149 Cb 0.45 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1xk2 h LYS 149 CO 0.08 0.67 0.00 0.82 -2.27 0.00 0.00 179.45 178.75 1xk2 h ILE 150 N 1.04 1.09 -0.68 2.00 2.04 -1.14 -2.64 117.51 119.22 1xk2 h ILE 150 Ca 0.44 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1xk2 h ILE 150 Cb 0.33 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1xk2 h ILE 150 CO -0.20 0.07 0.42 0.00 0.00 0.00 0.00 178.15 178.45 1xk2 h ALA 151 N 0.89 0.90 -0.60 1.87 0.00 -0.21 -1.09 119.26 121.02 1xk2 h ALA 151 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1xk2 h ALA 151 Cb 0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1xk2 h ALA 151 CO -0.00 0.18 0.30 1.96 0.00 0.00 0.00 179.25 181.69 1xk2 h GLN 152 N 0.82 0.54 -0.29 0.00 4.20 -1.09 0.22 115.11 119.50 1xk2 h GLN 152 Ca 0.28 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1xk2 h GLN 152 Cb 0.04 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1xk2 h GLN 152 CO -0.12 0.35 0.07 -0.22 -0.67 0.00 0.00 178.83 178.25 1xk2 h LYS 153 N 0.55 0.47 0.00 1.46 3.64 -1.06 -3.06 116.57 118.57 1xk2 h LYS 153 Ca 0.27 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.37 1xk2 h LYS 153 Cb 0.22 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1xk2 h LYS 153 CO -0.20 0.55 -0.80 0.00 -2.27 0.00 0.00 179.45 176.72 1xk2 h ALA 154 N 0.90 0.52 0.00 5.00 0.00 -0.79 -3.37 119.26 121.53 1xk2 h ALA 154 Ca 0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1xk2 h ALA 154 Cb 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xk2 h ALA 154 CO 0.00 1.00 -1.28 1.28 0.00 0.00 0.00 179.25 180.26 1xk2 n LEU 155 N -3.37 0.64 -3.52 0.00 4.77 0.73 -4.93 117.00 111.32 1xk2 n LEU 155 Ca 0.00 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 56.01 1xk2 n LEU 155 Cb 0.83 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.93 1xk2 n LEU 155 CO 0.44 -0.12 -0.00 0.47 -1.33 0.00 0.00 177.39 176.85 1xk2 n ASP 156 N -2.59 -5.92 -4.78 -1.43 10.43 -1.16 -4.91 116.55 106.20 1xk2 n ASP 156 Ca -0.02 -0.80 -0.36 0.00 2.57 0.00 0.00 54.79 56.18 1xk2 n ASP 156 Cb 0.58 -3.77 -0.02 0.00 1.84 0.00 0.00 41.12 39.74 1xk2 n ASP 156 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1xk2 s LEU 157 N -5.69 3.97 0.91 0.64 1.43 -1.26 -5.01 118.68 113.66 1xk2 s LEU 157 Ca 0.33 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.43 1xk2 s LEU 157 Cb -0.10 -4.35 0.14 0.00 0.03 0.00 0.00 46.19 41.90 1xk2 s LEU 157 CO 0.83 -0.80 1.09 -2.16 0.23 0.00 0.00 176.35 175.54 1xk2 s PRO 158 N -2.86 1.15 -1.40 1.29 0.04 -1.26 -4.87 135.00 127.09 1xk2 s PRO 158 Ca 0.64 0.95 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 1xk2 s PRO 158 Cb -0.23 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1xk2 s PRO 158 CO 0.28 -2.35 2.52 -1.13 0.04 0.00 0.00 177.00 176.35 1xk2 n SER 159 N -3.98 8.08 -0.68 6.66 3.41 -1.26 -4.39 113.62 121.46 1xk2 n SER 159 Ca 0.07 -2.99 0.06 0.00 -0.26 0.00 0.00 58.87 55.76 1xk2 n SER 159 Cb 0.54 -1.42 0.15 0.00 -0.26 0.00 0.00 64.21 63.22 1xk2 n SER 159 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xk2 n SER 160 N 2.34 2.83 -3.68 4.04 3.41 -1.26 -5.01 113.62 116.29 1xk2 n SER 160 Ca 0.66 -1.89 -0.25 0.00 -0.26 0.00 0.00 58.87 57.13 1xk2 n SER 160 Cb 0.25 -0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.06 1xk2 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xk2 n GLY 161 N 0.68 -0.49 3.33 5.00 0.00 -1.26 -5.01 105.19 107.44 1xk2 n GLY 161 Ca 0.12 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 1xk2 n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xk2 s GLU 162 N -6.26 1.11 0.00 1.61 2.02 -1.26 -4.96 118.70 110.97 1xk2 s GLU 162 Ca 0.49 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1xk2 s GLU 162 Cb -0.23 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.40 1xk2 s GLU 162 CO 0.77 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1xk2 n GLY 163 N -0.20 2.17 0.16 -1.39 0.00 -1.26 -4.93 105.19 99.73 1xk2 n GLY 163 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1xk2 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xk2 n LEU 164 N 0.00 1.42 -0.03 0.99 4.77 -1.26 -4.79 117.00 118.10 1xk2 n LEU 164 Ca 0.00 -1.99 0.17 0.00 -0.03 0.00 0.00 56.01 54.16 1xk2 n LEU 164 Cb 0.00 -0.19 0.62 0.00 -2.33 0.00 0.00 43.42 41.53 1xk2 n LEU 164 CO 0.00 0.47 1.18 0.00 -1.33 0.00 0.00 177.39 177.71 1xk2 h ALA 165 N 0.00 2.33 -0.85 -1.18 0.00 -1.92 -1.72 119.26 115.92 1xk2 h ALA 165 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1xk2 h ALA 165 Cb 1.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1xk2 h ALA 165 CO 0.00 -0.48 0.55 0.35 0.00 0.00 0.00 179.25 179.68 1xk2 h PHE 166 N 0.14 0.67 0.00 0.00 3.57 -1.87 -0.88 116.94 118.57 1xk2 h PHE 166 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1xk2 h PHE 166 Cb 0.85 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1xk2 h PHE 166 CO -0.00 0.24 0.00 1.19 -2.23 0.00 0.00 178.31 177.51 1xk2 n PHE 167 N -4.53 0.00 -4.27 0.41 3.72 -0.65 -4.68 117.46 107.46 1xk2 n PHE 167 Ca 0.17 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.32 1xk2 n PHE 167 Cb 0.52 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.89 1xk2 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xk2 s THR 168 N -2.00 1.00 -0.87 4.37 2.01 -0.34 -4.55 115.64 115.26 1xk2 s THR 168 Ca 0.15 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 1xk2 s THR 168 Cb 0.07 -0.96 0.22 0.00 0.01 0.00 0.00 72.50 71.84 1xk2 s THR 168 CO 0.11 0.34 0.79 -0.36 -0.69 0.00 0.00 174.62 174.81 1xk2 s PHE 169 N 1.10 3.84 0.47 4.92 0.40 -1.26 -4.94 117.98 122.50 1xk2 s PHE 169 Ca -0.07 -2.55 0.18 0.00 -0.60 0.00 0.00 56.93 53.89 1xk2 s PHE 169 Cb -0.14 -3.57 1.16 0.00 0.51 0.00 0.00 43.02 40.98 1xk2 s PHE 169 CO -0.01 -0.89 1.98 -1.00 0.70 0.00 0.00 175.22 175.99 1xk2 h PRO 170 N 6.95 0.26 -0.59 0.24 0.13 -1.93 -2.08 132.00 134.98 1xk2 h PRO 170 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1xk2 h PRO 170 Cb 0.93 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1xk2 h PRO 170 CO 0.83 0.17 0.00 0.09 -0.23 0.00 0.00 178.00 178.86 1xk2 n ASN 171 N -4.45 1.59 -3.87 1.44 5.03 -1.26 -4.61 115.26 109.13 1xk2 n ASN 171 Ca 0.10 -2.12 -0.30 0.00 0.87 0.00 0.00 54.58 53.13 1xk2 n ASN 171 Cb 0.47 -0.36 -0.16 0.00 -1.02 0.00 0.00 39.78 38.71 1xk2 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xk2 s ILE 172 N -1.57 1.25 0.03 2.41 1.01 -0.78 -4.64 121.20 118.91 1xk2 s ILE 172 Ca 0.12 -1.15 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 1xk2 s ILE 172 Cb 0.08 -1.64 -0.15 0.00 0.01 0.00 0.00 42.46 40.76 1xk2 s ILE 172 CO 0.06 -0.23 1.41 0.00 0.00 0.00 0.00 174.94 176.18 1xk2 h ALA 173 N 8.02 0.15 -3.15 9.38 0.00 -1.84 -3.43 119.26 128.39 1xk2 h ALA 173 Ca -0.16 -0.23 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 1xk2 h ALA 173 Cb 1.07 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.46 1xk2 h ALA 173 CO 0.41 -0.10 -0.82 0.45 0.00 0.00 0.00 179.25 179.18 1xk2 s SER 174 N -5.82 2.46 0.22 0.00 0.15 -1.26 -5.00 113.70 104.45 1xk2 s SER 174 Ca -0.15 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 1xk2 s SER 174 Cb 0.05 -1.02 0.20 0.00 -1.71 0.00 0.00 66.02 63.54 1xk2 s SER 174 CO 0.71 -0.09 1.72 0.00 1.20 0.00 0.00 173.24 176.78 1xk2 h ALA 175 N 8.11 0.99 0.50 5.45 0.00 -1.97 -1.24 119.26 131.09 1xk2 h ALA 175 Ca -0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1xk2 h ALA 175 Cb 1.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xk2 h ALA 175 CO 0.47 0.63 -0.25 1.15 0.00 0.00 0.00 179.25 181.24 1xk2 h THR 176 N 0.91 0.48 -0.78 0.00 2.02 -1.99 -0.30 112.91 113.25 1xk2 h THR 176 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1xk2 h THR 176 Cb 0.45 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1xk2 h THR 176 CO 0.02 0.00 0.46 0.11 0.37 0.00 0.00 175.52 176.48 1xk2 h LYS 177 N -0.69 1.06 -0.41 6.66 1.57 -1.96 -2.27 116.57 120.53 1xk2 h LYS 177 Ca -0.07 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1xk2 h LYS 177 Cb 0.54 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1xk2 h LYS 177 CO 0.10 0.75 -0.27 0.35 -0.57 0.00 0.00 179.45 179.81 1xk2 h PHE 178 N 1.08 1.00 -0.98 -1.35 3.57 -1.07 -2.87 116.94 116.33 1xk2 h PHE 178 Ca 0.28 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xk2 h PHE 178 Cb -0.03 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 1xk2 h PHE 178 CO 0.00 1.04 0.65 -0.22 -2.23 0.00 0.00 178.31 177.55 1xk2 h LYS 179 N 0.74 1.30 0.22 1.11 3.64 -0.67 -0.79 116.57 122.11 1xk2 h LYS 179 Ca 0.09 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1xk2 h LYS 179 Cb 0.83 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1xk2 h LYS 179 CO 0.07 0.87 -0.12 1.96 -2.27 0.00 0.00 179.45 179.96 1xk2 h GLN 180 N 1.34 -0.31 -0.48 1.90 4.20 -1.21 -2.32 115.11 118.22 1xk2 h GLN 180 Ca 0.36 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.10 1xk2 h GLN 180 Cb -0.14 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1xk2 h GLN 180 CO -0.08 -0.21 0.32 1.25 -0.67 0.00 0.00 178.83 179.45 1xk2 h LEU 181 N -0.32 0.55 -0.48 1.46 5.85 -1.30 -1.53 115.31 119.54 1xk2 h LEU 181 Ca -0.02 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xk2 h LEU 181 Cb 0.26 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1xk2 h LEU 181 CO 0.03 0.40 0.27 0.22 -0.34 0.00 0.00 178.44 179.02 1xk2 h TYR 182 N 0.65 0.51 -0.30 1.25 3.20 -1.04 0.23 116.97 121.47 1xk2 h TYR 182 Ca 0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1xk2 h TYR 182 Cb -0.07 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1xk2 h TYR 182 CO -0.04 0.28 0.10 0.93 -1.64 0.00 0.00 178.16 177.79 1xk2 h GLU 183 N 0.55 0.47 -0.58 1.82 5.08 -1.28 0.11 114.58 120.74 1xk2 h GLU 183 Ca 0.20 -0.10 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 1xk2 h GLU 183 Cb 0.04 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 1xk2 h GLU 183 CO -0.10 0.51 0.15 1.03 -1.00 0.00 0.00 179.01 179.60 1xk2 h SER 184 N 0.33 0.06 0.22 1.42 0.87 -0.69 0.44 113.55 116.20 1xk2 h SER 184 Ca 0.10 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1xk2 h SER 184 Cb 0.23 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1xk2 h SER 184 CO -0.00 0.05 -0.20 0.03 -0.53 0.00 0.00 176.83 176.17 1xk2 h ARG 185 N 0.29 0.00 -0.14 2.24 2.47 -0.11 -2.62 114.38 116.50 1xk2 h ARG 185 Ca 0.30 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.86 1xk2 h ARG 185 Cb 0.42 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1xk2 h ARG 185 CO -0.36 0.20 -0.55 0.52 0.56 0.00 0.00 179.97 180.34 1xk2 h MET 186 N 0.00 0.62 0.00 0.04 2.86 0.17 -3.09 114.93 115.54 1xk2 h MET 186 Ca -0.00 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1xk2 h MET 186 Cb 0.36 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1xk2 h MET 186 CO 0.03 1.10 0.00 0.09 1.06 0.00 0.00 176.91 179.19 1xk2 n ASN 187 N -4.16 0.00 -0.08 1.22 3.02 0.89 -1.74 115.26 114.41 1xk2 n ASN 187 Ca -0.07 0.02 0.11 0.00 -0.03 0.00 0.00 54.58 54.60 1xk2 n ASN 187 Cb 0.62 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.53 1xk2 n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xk2 n SER 188 N -1.28 1.02 -4.74 6.41 3.41 -1.05 -4.89 113.62 112.51 1xk2 n SER 188 Ca 0.09 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.41 1xk2 n SER 188 Cb 0.15 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 1xk2 n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1xk2 s LEU 189 N -2.90 4.38 -0.10 1.04 2.96 -0.71 -5.00 118.68 118.35 1xk2 s LEU 189 Ca 0.11 2.65 -0.11 0.00 -0.22 0.00 0.00 54.13 56.56 1xk2 s LEU 189 Cb 0.17 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 1xk2 s LEU 189 CO 0.76 -0.75 0.25 -1.61 -1.32 0.00 0.00 176.35 173.69 1xk2 s GLU 190 N 0.14 3.83 -0.15 1.98 0.41 -1.26 -5.08 118.70 118.57 1xk2 s GLU 190 Ca 0.63 0.08 -0.30 0.00 -0.41 0.00 0.00 54.97 54.96 1xk2 s GLU 190 Cb -0.42 -3.27 0.13 0.00 -1.78 0.00 0.00 34.13 28.78 1xk2 s GLU 190 CO 0.39 0.59 0.99 0.00 -0.49 0.00 0.00 175.26 176.74 1xk2 s MET 191 N -0.58 0.61 0.67 1.61 0.23 -1.26 -4.94 119.30 115.64 1xk2 s MET 191 Ca 0.17 0.12 -0.15 0.00 -1.03 0.00 0.00 55.69 54.81 1xk2 s MET 191 Cb -0.14 0.29 0.01 0.00 -1.53 0.00 0.00 34.83 33.46 1xk2 s MET 191 CO 0.06 -0.20 1.12 0.95 -2.03 0.00 0.00 175.02 174.93 1xk2 s THR 192 N -1.23 3.12 0.44 3.16 -4.23 -1.26 -4.76 115.64 110.88 1xk2 s THR 192 Ca -0.01 0.52 0.16 0.00 -1.18 0.00 0.00 61.69 61.18 1xk2 s THR 192 Cb -0.00 -3.04 0.36 0.00 1.34 0.00 0.00 72.50 71.15 1xk2 s THR 192 CO 0.01 -0.32 1.93 1.55 -0.54 0.00 0.00 174.62 177.25 1xk2 h PRO 193 N -0.05 0.37 0.83 3.99 0.13 -2.01 -0.19 132.00 135.06 1xk2 h PRO 193 Ca -0.47 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1xk2 h PRO 193 Cb 1.25 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1xk2 h PRO 193 CO 0.53 0.24 -0.40 0.00 -0.23 0.00 0.00 178.00 178.15 1xk2 h ALA 194 N 1.66 -1.11 -0.63 -0.56 0.00 -2.00 -1.42 119.26 115.20 1xk2 h ALA 194 Ca 0.35 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1xk2 h ALA 194 Cb 0.84 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1xk2 h ALA 194 CO -0.10 -1.08 0.23 0.28 0.00 0.00 0.00 179.25 178.58 1xk2 h VAL 195 N -1.19 0.75 -1.00 0.00 2.07 -1.77 0.14 116.25 115.24 1xk2 h VAL 195 Ca -0.11 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.42 1xk2 h VAL 195 Cb 0.86 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 1xk2 h VAL 195 CO 0.19 0.07 0.62 -0.09 0.02 0.00 0.00 177.57 178.38 1xk2 h ARG 196 N 0.41 0.87 -0.03 1.57 1.12 -0.88 0.52 114.38 117.95 1xk2 h ARG 196 Ca 0.32 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 59.00 1xk2 h ARG 196 Cb 0.41 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 1xk2 h ARG 196 CO -0.32 0.58 -0.61 0.37 -3.11 0.00 0.00 179.97 176.88 1xk2 h GLN 197 N 0.90 0.11 -0.02 0.20 5.75 0.13 -2.75 115.11 119.44 1xk2 h GLN 197 Ca 0.53 -0.08 -0.17 0.00 -0.15 0.00 0.00 58.65 58.78 1xk2 h GLN 197 Cb 0.66 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1xk2 h GLN 197 CO -0.32 0.68 -0.78 0.00 -2.65 0.00 0.00 178.83 175.77 1xk2 h ARG 198 N 0.08 0.16 -0.37 1.69 3.08 -0.15 -2.37 114.38 116.50 1xk2 h ARG 198 Ca -0.01 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1xk2 h ARG 198 Cb 1.09 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1xk2 h ARG 198 CO 0.09 0.85 0.03 0.28 -1.07 0.00 0.00 179.97 180.15 1xk2 h VAL 199 N 0.10 1.25 -0.62 2.04 2.07 -0.91 0.11 116.25 120.29 1xk2 h VAL 199 Ca -0.03 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.61 1xk2 h VAL 199 Cb 1.36 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1xk2 h VAL 199 CO 0.11 0.31 0.38 0.40 0.02 0.00 0.00 177.57 178.79 1xk2 h ILE 200 N 0.46 1.07 -0.51 4.57 1.08 -1.44 -1.98 117.51 120.76 1xk2 h ILE 200 Ca 0.11 -0.26 -0.08 0.00 -0.39 0.00 0.00 64.86 64.24 1xk2 h ILE 200 Cb 0.41 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 1xk2 h ILE 200 CO 0.01 0.14 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.26 1xk2 h GLU 201 N 0.75 0.91 -0.96 2.37 4.39 -1.13 -2.88 114.58 118.02 1xk2 h GLU 201 Ca 0.25 -0.30 0.06 0.00 0.34 0.00 0.00 59.36 59.72 1xk2 h GLU 201 Cb 0.03 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.54 1xk2 h GLU 201 CO -0.11 0.94 0.62 1.49 -1.16 0.00 0.00 179.01 180.79 1xk2 h GLU 202 N 0.77 1.09 -0.64 2.33 4.57 -0.38 0.80 114.58 123.12 1xk2 h GLU 202 Ca 0.14 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.34 1xk2 h GLU 202 Cb 0.54 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 1xk2 h GLU 202 CO 0.03 0.72 0.42 0.00 -1.18 0.00 0.00 179.01 179.00 1xk2 h ALA 203 N 1.44 1.91 -0.16 2.92 0.00 -1.15 0.39 119.26 124.60 1xk2 h ALA 203 Ca 0.41 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.09 1xk2 h ALA 203 Cb 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xk2 h ALA 203 CO -0.17 -0.03 -0.76 0.87 0.00 0.00 0.00 179.25 179.15 1xk2 h LYS 204 N 0.52 0.77 -0.16 0.00 1.57 -0.86 -2.79 116.57 115.63 1xk2 h LYS 204 Ca 0.29 -0.62 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1xk2 h LYS 204 Cb 0.44 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1xk2 h LYS 204 CO -0.09 1.23 0.07 1.15 -0.57 0.00 0.00 179.45 181.24 1xk2 h THR 205 N 0.53 0.98 -0.50 -0.16 2.02 0.50 -1.53 112.91 114.76 1xk2 h THR 205 Ca -0.05 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.17 1xk2 h THR 205 Cb 1.39 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 68.53 1xk2 h THR 205 CO 0.16 0.03 0.03 0.00 0.37 0.00 0.00 175.52 176.11 1xk2 h ALA 206 N 1.09 0.50 -0.45 6.16 0.00 -0.34 0.81 119.26 127.04 1xk2 h ALA 206 Ca 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xk2 h ALA 206 Cb 0.03 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xk2 h ALA 206 CO -0.06 -0.37 0.24 0.74 0.00 0.00 0.00 179.25 179.81 1xk2 h PHE 207 N 0.15 0.63 -0.21 0.00 0.04 -1.18 -2.29 116.94 114.08 1xk2 h PHE 207 Ca 0.25 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 1xk2 h PHE 207 Cb 0.37 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1xk2 h PHE 207 CO -0.28 0.48 -0.03 -0.07 -0.60 0.00 0.00 178.31 177.80 1xk2 h LEU 208 N 0.59 0.30 -0.88 1.54 3.38 -0.50 0.08 115.31 119.82 1xk2 h LEU 208 Ca 0.16 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1xk2 h LEU 208 Cb 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1xk2 h LEU 208 CO -0.02 0.38 -0.18 -0.07 0.09 0.00 0.00 178.44 178.64 1xk2 h LEU 209 N 0.31 0.62 -0.20 1.67 3.38 -0.39 0.62 115.31 121.32 1xk2 h LEU 209 Ca 0.07 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1xk2 h LEU 209 Cb 0.27 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xk2 h LEU 209 CO 0.01 0.81 -0.34 0.78 0.09 0.00 0.00 178.44 179.79 1xk2 h ASN 210 N 0.56 0.65 -0.01 -0.43 2.35 -0.77 -2.02 115.58 115.90 1xk2 h ASN 210 Ca 0.09 -0.53 0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1xk2 h ASN 210 Cb 0.63 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1xk2 h ASN 210 CO 0.04 1.06 -0.02 0.40 -1.65 0.00 0.00 177.43 177.26 1xk2 h ILE 211 N 0.27 0.95 -0.91 2.81 2.04 -0.73 -0.25 117.51 121.68 1xk2 h ILE 211 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 1xk2 h ILE 211 Cb 0.93 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 1xk2 h ILE 211 CO 0.08 0.00 0.59 1.56 0.00 0.00 0.00 178.15 180.37 1xk2 h GLN 212 N -0.03 0.83 -0.51 2.37 4.20 -0.88 -0.50 115.11 120.60 1xk2 h GLN 212 Ca 0.01 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1xk2 h GLN 212 Cb 0.04 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1xk2 h GLN 212 CO -0.03 0.55 0.17 1.25 -0.67 0.00 0.00 178.83 180.10 1xk2 h LEU 213 N 0.86 0.73 -0.81 1.46 5.85 -0.58 -1.99 115.31 120.83 1xk2 h LEU 213 Ca 0.44 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1xk2 h LEU 213 Cb 0.50 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1xk2 h LEU 213 CO -0.20 0.73 0.07 -0.26 -0.34 0.00 0.00 178.44 178.45 1xk2 h PHE 214 N 0.69 1.02 -0.14 1.25 0.04 0.48 -0.59 116.94 119.69 1xk2 h PHE 214 Ca 0.16 -0.14 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 1xk2 h PHE 214 Cb 0.26 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1xk2 h PHE 214 CO 0.01 0.88 -0.44 0.93 -0.60 0.00 0.00 178.31 179.10 1xk2 h GLU 215 N 0.91 0.32 -0.06 1.51 5.08 -1.16 -1.25 114.58 119.93 1xk2 h GLU 215 Ca 0.18 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1xk2 h GLU 215 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xk2 h GLU 215 CO 0.01 0.70 -0.10 1.49 -1.00 0.00 0.00 179.01 180.12 1xk2 h GLU 216 N 0.26 0.18 -0.01 2.33 4.81 -1.03 -2.26 114.58 118.86 1xk2 h GLU 216 Ca 0.02 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1xk2 h GLU 216 Cb 0.88 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1xk2 h GLU 216 CO 0.07 0.67 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.89 1xk2 h LEU 217 N -0.30 -0.18 -1.13 1.64 3.38 -1.04 -0.98 115.31 116.70 1xk2 h LEU 217 Ca 0.01 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1xk2 h LEU 217 Cb 0.66 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 1xk2 h LEU 217 CO 0.02 -0.09 0.61 -0.61 0.09 0.00 0.00 178.44 178.46 1xk2 h GLN 218 N -0.10 0.76 0.00 1.13 5.75 -1.27 0.84 115.11 122.22 1xk2 h GLN 218 Ca 0.03 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 1xk2 h GLN 218 Cb 0.14 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1xk2 h GLN 218 CO -0.07 0.50 -0.52 1.49 -2.65 0.00 0.00 178.83 177.58 1xk2 h GLU 219 N 0.78 0.00 0.00 1.69 4.57 -0.69 -2.80 114.58 118.13 1xk2 h GLU 219 Ca 0.51 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.55 1xk2 h GLU 219 Cb 0.76 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1xk2 h GLU 219 CO -0.28 0.52 -0.66 -0.07 -1.18 0.00 0.00 179.01 177.34 1xk2 h LEU 220 N 0.00 0.00 -0.28 1.64 3.38 0.42 -3.16 115.31 117.31 1xk2 h LEU 220 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xk2 h LEU 220 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1xk2 h LEU 220 CO 0.07 0.66 -0.28 0.18 0.09 0.00 0.00 178.44 179.15 1xk2 n LEU 221 N -3.50 0.71 0.00 1.67 4.77 -0.66 -4.62 117.00 115.38 1xk2 n LEU 221 Ca -0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1xk2 n LEU 221 Cb 0.71 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1xk2 n LEU 221 CO 0.42 0.14 0.00 0.35 -1.33 0.00 0.00 177.39 176.97 1xk2 n THR 222 N -1.00 0.00 -0.81 -5.08 -2.24 -1.07 -5.09 114.28 98.99 1xk2 n THR 222 Ca 0.10 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1xk2 n THR 222 Cb 0.33 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1xk2 n THR 222 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91