#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk3 h GLN 11 N 0.00 0.28 -6.64 -0.52 5.75 -2.02 -3.43 115.11 108.53 1xk3 h GLN 11 Ca 0.00 -0.48 -0.52 0.00 -0.15 0.00 0.00 58.65 57.50 1xk3 h GLN 11 Cb 0.00 0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1xk3 h GLN 11 CO 0.00 1.23 0.46 -0.51 -2.65 0.00 0.00 178.83 177.36 1xk3 s ASP 12 N -7.09 7.30 0.23 -0.69 1.01 -1.26 -4.93 116.67 111.24 1xk3 s ASP 12 Ca -0.18 2.05 -0.06 0.00 0.71 0.00 0.00 52.55 55.06 1xk3 s ASP 12 Cb 0.04 -2.60 0.39 0.00 1.01 0.00 0.00 42.92 41.76 1xk3 s ASP 12 CO 0.79 -0.20 1.73 0.25 0.21 0.00 0.00 175.17 177.96 1xk3 h LEU 13 N 5.18 0.25 -1.15 1.23 5.85 -1.89 -0.16 115.31 124.62 1xk3 h LEU 13 Ca -0.44 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 1xk3 h LEU 13 Cb 1.21 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1xk3 h LEU 13 CO 0.72 0.12 0.27 0.77 -0.34 0.00 0.00 178.44 179.98 1xk3 h SER 14 N 0.43 0.78 0.46 1.25 4.64 -1.89 -0.53 113.55 118.70 1xk3 h SER 14 Ca 0.37 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.42 1xk3 h SER 14 Cb 0.53 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1xk3 h SER 14 CO -0.37 0.68 -0.79 -0.33 -0.87 0.00 0.00 176.83 175.15 1xk3 h GLU 15 N 0.86 0.25 -0.17 4.77 4.39 -1.62 -2.61 114.58 120.46 1xk3 h GLU 15 Ca 0.21 -0.24 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 1xk3 h GLU 15 Cb 0.12 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1xk3 h GLU 15 CO -0.02 0.92 -0.57 0.00 -1.16 0.00 0.00 179.01 178.18 1xk3 h ALA 16 N 1.00 0.69 -0.40 3.43 0.00 -0.65 -1.83 119.26 121.51 1xk3 h ALA 16 Ca -0.04 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1xk3 h ALA 16 Cb 1.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1xk3 h ALA 16 CO 0.13 0.70 -0.33 -0.07 0.00 0.00 0.00 179.25 179.67 1xk3 h LEU 17 N 0.39 0.98 -0.19 0.00 3.38 -1.10 -0.64 115.31 118.14 1xk3 h LEU 17 Ca 0.00 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1xk3 h LEU 17 Cb 1.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1xk3 h LEU 17 CO 0.11 1.22 -0.01 0.50 0.09 0.00 0.00 178.44 180.35 1xk3 h LYS 18 N 0.75 0.34 0.26 1.13 3.64 -1.46 -1.90 116.57 119.33 1xk3 h LYS 18 Ca 0.07 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1xk3 h LYS 18 Cb 0.92 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1xk3 h LYS 18 CO 0.08 0.55 -0.39 1.49 -2.27 0.00 0.00 179.45 178.91 1xk3 h GLU 19 N 0.09 -0.70 0.00 1.90 4.57 -1.27 -2.81 114.58 116.37 1xk3 h GLU 19 Ca 0.05 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1xk3 h GLU 19 Cb 0.40 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1xk3 h GLU 19 CO 0.01 -0.46 -0.12 0.00 -1.18 0.00 0.00 179.01 177.26 1xk3 h ALA 20 N -0.27 1.34 -0.55 2.92 0.00 -1.11 -2.71 119.26 118.86 1xk3 h ALA 20 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xk3 h ALA 20 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xk3 h ALA 20 CO -0.14 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1xk3 n THR 21 N -3.71 0.74 0.04 0.00 -2.24 -0.72 -4.52 114.28 103.87 1xk3 n THR 21 Ca -0.02 -0.76 -0.11 0.00 -2.27 0.00 0.00 64.05 60.90 1xk3 n THR 21 Cb 0.23 0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 1xk3 n THR 21 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xk3 h LYS 22 N 3.42 -0.35 0.23 -0.78 1.57 -1.23 -0.70 116.57 118.73 1xk3 h LYS 22 Ca 0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xk3 h LYS 22 Cb 0.78 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1xk3 h LYS 22 CO 0.00 -0.23 -0.11 1.05 -0.57 0.00 0.00 179.45 179.59 1xk3 h GLU 23 N -0.36 -0.30 -0.15 3.15 9.09 -1.84 -2.61 114.58 121.57 1xk3 h GLU 23 Ca 0.08 0.02 0.04 0.00 0.05 0.00 0.00 59.36 59.55 1xk3 h GLU 23 Cb 0.47 0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1xk3 h GLU 23 CO -0.26 -0.00 0.13 -0.39 0.05 0.00 0.00 179.01 178.55 1xk3 h VAL 24 N -0.59 0.67 -0.05 -1.06 -1.51 -1.84 0.28 116.25 112.15 1xk3 h VAL 24 Ca -0.03 0.00 -0.23 0.00 -1.23 0.00 0.00 66.70 65.21 1xk3 h VAL 24 Cb 0.43 0.90 0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1xk3 h VAL 24 CO 0.05 0.00 -0.89 -0.74 -1.23 0.00 0.00 177.57 174.76 1xk3 h HIS 25 N 0.00 0.84 -0.47 5.19 6.17 -1.05 -1.76 115.15 124.07 1xk3 h HIS 25 Ca 0.07 -0.42 -0.08 0.00 0.71 0.00 0.00 60.37 60.65 1xk3 h HIS 25 Cb 0.33 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 1xk3 h HIS 25 CO 0.00 1.23 -0.03 1.15 0.71 0.00 0.00 177.93 181.00 1xk3 h THR 26 N 0.37 1.25 -0.27 6.26 2.02 -0.61 -0.79 112.91 121.13 1xk3 h THR 26 Ca -0.08 -1.05 -0.14 0.00 0.77 0.00 0.00 66.41 65.92 1xk3 h THR 26 Cb 1.52 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1xk3 h THR 26 CO 0.17 0.37 -0.41 1.56 0.37 0.00 0.00 175.52 177.58 1xk3 h GLN 27 N 0.73 0.65 -0.63 6.66 4.20 -1.12 -0.72 115.11 124.88 1xk3 h GLN 27 Ca 0.14 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1xk3 h GLN 27 Cb 0.49 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1xk3 h GLN 27 CO 0.02 0.94 0.29 0.00 -0.67 0.00 0.00 178.83 179.42 1xk3 h ALA 28 N 1.01 0.82 -0.28 3.87 0.00 -0.82 0.14 119.26 124.00 1xk3 h ALA 28 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1xk3 h ALA 28 Cb 0.93 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1xk3 h ALA 28 CO 0.08 0.40 -0.28 0.93 0.00 0.00 0.00 179.25 180.38 1xk3 h GLU 29 N 0.88 0.57 0.00 0.00 5.08 -0.96 -2.99 114.58 117.16 1xk3 h GLU 29 Ca 0.22 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xk3 h GLU 29 Cb 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1xk3 h GLU 29 CO -0.02 0.79 0.00 -0.91 -1.00 0.00 0.00 179.01 177.87 1xk3 h ASN 30 N 0.49 0.00 -1.81 1.42 -0.26 -0.61 -3.29 115.58 111.53 1xk3 h ASN 30 Ca 0.06 0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 55.14 1xk3 h ASN 30 Cb 0.74 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 38.04 1xk3 h ASN 30 CO 0.06 0.00 0.68 0.00 -1.06 0.00 0.00 177.43 177.10 1xk3 n ALA 31 N -1.85 -0.16 -0.33 -0.83 0.00 -0.01 -4.68 120.51 112.63 1xk3 n ALA 31 Ca 0.05 0.45 0.20 0.00 0.00 0.00 0.00 53.44 54.14 1xk3 n ALA 31 Cb 0.44 -2.20 0.41 0.00 0.00 0.00 0.00 19.45 18.10 1xk3 n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xk3 h GLU 32 N 5.81 0.42 0.16 0.00 4.81 -1.90 0.23 114.58 124.11 1xk3 h GLU 32 Ca -0.47 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1xk3 h GLU 32 Cb 1.31 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1xk3 h GLU 32 CO 0.85 0.28 -0.08 0.35 -0.73 0.00 0.00 179.01 179.68 1xk3 h PHE 33 N 0.43 -0.20 0.00 0.92 3.04 -1.87 -1.14 116.94 118.12 1xk3 h PHE 33 Ca 0.67 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.56 1xk3 h PHE 33 Cb 1.39 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.96 1xk3 h PHE 33 CO -0.04 0.07 -0.28 1.98 -2.02 0.00 0.00 178.31 178.02 1xk3 h MET 34 N -0.46 0.00 -0.46 1.11 4.05 -1.63 -0.93 114.93 116.62 1xk3 h MET 34 Ca -0.02 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 1xk3 h MET 34 Cb 0.36 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1xk3 h MET 34 CO 0.04 0.28 -0.15 -0.09 0.23 0.00 0.00 176.91 177.22 1xk3 h ARG 35 N 0.00 0.91 0.01 0.39 2.43 -0.40 -0.27 114.38 117.44 1xk3 h ARG 35 Ca -0.00 -0.36 -0.19 0.00 -0.81 0.00 0.00 59.98 58.61 1xk3 h ARG 35 Cb 0.58 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1xk3 h ARG 35 CO 0.04 1.02 -0.91 -0.91 -1.51 0.00 0.00 179.97 177.70 1xk3 h ASN 36 N 0.74 0.05 -0.09 -3.80 -0.26 -0.86 -1.43 115.58 109.93 1xk3 h ASN 36 Ca 0.11 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 1xk3 h ASN 36 Cb 0.71 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1xk3 h ASN 36 CO 0.05 0.93 -0.06 0.15 -1.06 0.00 0.00 177.43 177.44 1xk3 h PHE 37 N 0.02 0.23 0.00 1.19 3.04 -1.07 0.86 116.94 121.20 1xk3 h PHE 37 Ca -0.02 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.80 1xk3 h PHE 37 Cb 1.59 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.04 1xk3 h PHE 37 CO 0.01 0.59 -0.31 0.37 -2.02 0.00 0.00 178.31 176.95 1xk3 h GLN 38 N -0.19 0.00 -0.01 1.11 4.15 -1.09 -0.39 115.11 118.69 1xk3 h GLN 38 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1xk3 h GLN 38 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1xk3 h GLN 38 CO 0.02 0.31 0.00 1.17 -1.93 0.00 0.00 178.83 178.39 1xk3 n LYS 39 N -3.80 1.09 -0.92 1.69 4.81 -0.54 -4.90 118.16 115.59 1xk3 n LYS 39 Ca -0.01 -0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1xk3 n LYS 39 Cb 0.40 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.01 1xk3 n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xk3 n GLY 40 N 0.97 0.45 2.72 3.14 0.00 -0.16 -5.00 105.19 107.30 1xk3 n GLY 40 Ca 0.21 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1xk3 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xk3 n GLN 41 N -2.92 3.25 -4.79 1.61 10.64 0.29 -4.73 117.38 120.74 1xk3 n GLN 41 Ca 0.00 -4.76 -0.33 0.00 -1.83 0.00 0.00 57.00 50.08 1xk3 n GLN 41 Cb 0.00 -2.29 -0.13 0.00 -0.86 0.00 0.00 30.24 26.96 1xk3 n GLN 41 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1xk3 s VAL 42 N -3.57 3.20 0.68 -0.39 0.11 -1.26 -4.55 120.40 114.61 1xk3 s VAL 42 Ca 0.43 -0.65 -0.03 0.00 -2.93 0.00 0.00 61.98 58.81 1xk3 s VAL 42 Cb 0.20 -2.30 0.08 0.00 -1.53 0.00 0.00 36.38 32.84 1xk3 s VAL 42 CO -0.07 0.56 0.95 0.42 -3.33 0.00 0.00 175.10 173.63 1xk3 s THR 43 N -0.30 2.34 0.15 5.04 -4.23 -1.26 -4.71 115.64 112.67 1xk3 s THR 43 Ca 0.03 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 1xk3 s THR 43 Cb -0.13 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1xk3 s THR 43 CO 0.03 0.00 1.56 0.03 -0.54 0.00 0.00 174.62 175.70 1xk3 h ARG 44 N -0.42 0.89 -0.60 3.99 3.08 -1.95 0.95 114.38 120.33 1xk3 h ARG 44 Ca -0.41 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.25 1xk3 h ARG 44 Cb 1.29 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1xk3 h ARG 44 CO 0.50 0.98 0.16 -0.44 -1.07 0.00 0.00 179.97 180.09 1xk3 h ASP 45 N 0.74 0.86 -0.17 7.04 3.32 -1.99 0.12 116.42 126.34 1xk3 h ASP 45 Ca 0.12 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 1xk3 h ASP 45 Cb 0.64 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1xk3 h ASP 45 CO 0.04 0.83 -0.29 1.23 -1.72 0.00 0.00 179.24 179.33 1xk3 h GLY 46 N 1.01 0.54 1.55 2.75 0.00 -1.88 -2.49 103.07 104.55 1xk3 h GLY 46 Ca 0.19 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1xk3 h GLY 46 CO -0.00 0.55 -0.08 -2.75 0.00 0.00 0.00 176.54 174.26 1xk3 h PHE 47 N 0.13 0.58 -0.84 5.60 3.57 -0.62 -2.01 116.94 123.36 1xk3 h PHE 47 Ca 0.01 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1xk3 h PHE 47 Cb 0.87 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1xk3 h PHE 47 CO 0.09 0.62 0.44 0.87 -2.23 0.00 0.00 178.31 178.10 1xk3 h LYS 48 N 0.51 1.18 -0.56 1.11 1.57 -0.68 -0.65 116.57 119.04 1xk3 h LYS 48 Ca 0.10 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1xk3 h LYS 48 Cb 0.45 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1xk3 h LYS 48 CO 0.02 0.88 0.19 -0.07 -0.57 0.00 0.00 179.45 179.90 1xk3 h LEU 49 N 1.17 0.81 -0.06 2.94 3.38 -0.94 -0.53 115.31 122.08 1xk3 h LEU 49 Ca 0.29 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xk3 h LEU 49 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xk3 h LEU 49 CO -0.04 0.79 -0.02 0.58 0.09 0.00 0.00 178.44 179.84 1xk3 h VAL 50 N 0.78 0.93 -0.66 1.22 2.07 -0.94 -0.48 116.25 119.18 1xk3 h VAL 50 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.66 1xk3 h VAL 50 Cb 0.26 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1xk3 h VAL 50 CO -0.01 0.00 0.22 0.24 0.02 0.00 0.00 177.57 178.04 1xk3 h MET 51 N -0.00 0.99 -0.70 1.57 2.86 -0.94 -1.33 114.93 117.37 1xk3 h MET 51 Ca 0.03 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1xk3 h MET 51 Cb 0.05 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1xk3 h MET 51 CO -0.06 0.83 0.16 0.00 1.06 0.00 0.00 176.91 178.90 1xk3 h ALA 52 N 1.28 0.93 -0.17 6.32 0.00 -0.82 -1.89 119.26 124.91 1xk3 h ALA 52 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xk3 h ALA 52 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xk3 h ALA 52 CO -0.01 0.67 0.09 0.77 0.00 0.00 0.00 179.25 180.76 1xk3 h SER 53 N 1.07 0.22 -0.84 0.00 0.02 -0.52 -2.69 113.55 110.81 1xk3 h SER 53 Ca 0.22 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1xk3 h SER 53 Cb 0.39 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1xk3 h SER 53 CO 0.01 0.26 0.52 -0.07 -1.14 0.00 0.00 176.83 176.41 1xk3 h LEU 54 N 0.16 0.99 0.36 5.07 3.38 -1.11 -1.72 115.31 122.44 1xk3 h LEU 54 Ca 0.06 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xk3 h LEU 54 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1xk3 h LEU 54 CO -0.01 0.75 -0.38 0.22 0.09 0.00 0.00 178.44 179.12 1xk3 h TYR 55 N 1.15 -1.02 -0.43 1.13 3.20 -1.03 0.94 116.97 120.91 1xk3 h TYR 55 Ca 0.30 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.23 1xk3 h TYR 55 Cb -0.07 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1xk3 h TYR 55 CO 0.00 -0.52 0.17 0.45 -1.64 0.00 0.00 178.16 176.62 1xk3 h HIS 56 N -0.77 0.31 -0.37 -3.82 3.86 -1.28 -0.02 115.15 113.07 1xk3 h HIS 56 Ca -0.03 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1xk3 h HIS 56 Cb 0.69 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 1xk3 h HIS 56 CO -0.22 0.13 0.19 0.82 0.86 0.00 0.00 177.93 179.72 1xk3 h ILE 57 N 0.35 1.00 0.00 2.45 2.04 -1.11 -2.16 117.51 120.08 1xk3 h ILE 57 Ca 0.19 -0.14 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 1xk3 h ILE 57 Cb 0.16 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1xk3 h ILE 57 CO -0.18 0.07 -0.60 1.88 0.00 0.00 0.00 178.15 179.32 1xk3 h TYR 58 N 0.40 0.00 -0.14 1.37 0.05 -0.46 -0.47 116.97 117.71 1xk3 h TYR 58 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1xk3 h TYR 58 Cb 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1xk3 h TYR 58 CO -0.09 0.60 0.07 0.28 -1.05 0.00 0.00 178.16 177.97 1xk3 h VAL 59 N 0.00 1.13 -0.21 -2.88 2.07 -0.69 0.13 116.25 115.80 1xk3 h VAL 59 Ca -0.01 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1xk3 h VAL 59 Cb 1.08 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1xk3 h VAL 59 CO 0.08 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.78 1xk3 h ALA 60 N 0.93 0.28 -0.36 1.67 0.00 -1.32 -0.16 119.26 120.30 1xk3 h ALA 60 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xk3 h ALA 60 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xk3 h ALA 60 CO -0.01 0.01 0.18 1.25 0.00 0.00 0.00 179.25 180.69 1xk3 h LEU 61 N 0.12 0.46 -0.56 0.00 5.85 -1.00 -1.28 115.31 118.90 1xk3 h LEU 61 Ca 0.06 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1xk3 h LEU 61 Cb 0.42 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1xk3 h LEU 61 CO 0.01 0.44 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.02 1xk3 h GLU 62 N 0.44 0.00 -0.18 1.25 5.08 -0.73 -1.14 114.58 119.30 1xk3 h GLU 62 Ca 0.12 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1xk3 h GLU 62 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1xk3 h GLU 62 CO -0.02 0.20 -0.45 1.49 -1.00 0.00 0.00 179.01 179.23 1xk3 h GLU 63 N 0.00 0.62 -0.07 2.33 4.81 -0.76 -2.34 114.58 119.17 1xk3 h GLU 63 Ca -0.00 -0.43 -0.10 0.00 -0.13 0.00 0.00 59.36 58.69 1xk3 h GLU 63 Cb 0.95 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1xk3 h GLU 63 CO 0.03 1.05 -0.43 0.93 -0.73 0.00 0.00 179.01 179.85 1xk3 h GLU 64 N 0.29 0.15 -0.52 1.92 4.39 -1.04 -2.55 114.58 117.23 1xk3 h GLU 64 Ca -0.01 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1xk3 h GLU 64 Cb 1.07 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1xk3 h GLU 64 CO 0.10 0.56 -0.09 0.82 -1.16 0.00 0.00 179.01 179.24 1xk3 h ILE 65 N 0.13 1.27 -0.21 3.13 2.04 -1.14 -2.21 117.51 120.52 1xk3 h ILE 65 Ca 0.01 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 1xk3 h ILE 65 Cb 0.82 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1xk3 h ILE 65 CO 0.06 0.43 -0.18 -0.33 0.00 0.00 0.00 178.15 178.13 1xk3 h GLU 66 N 0.83 0.36 -0.38 2.37 4.39 -1.24 0.23 114.58 121.14 1xk3 h GLU 66 Ca 0.14 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1xk3 h GLU 66 Cb 0.64 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1xk3 h GLU 66 CO 0.04 0.54 0.05 -0.09 -1.16 0.00 0.00 179.01 178.39 1xk3 h ARG 67 N 0.33 0.64 -0.41 2.33 2.43 -1.15 -3.28 114.38 115.27 1xk3 h ARG 67 Ca 0.06 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1xk3 h ARG 67 Cb 0.51 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1xk3 h ARG 67 CO 0.03 0.70 0.00 0.09 -1.51 0.00 0.00 179.97 179.29 1xk3 n ASN 68 N -4.53 4.57 0.32 -3.80 4.13 -0.86 -4.66 115.26 110.43 1xk3 n ASN 68 Ca -0.01 -2.88 0.21 0.00 1.68 0.00 0.00 54.58 53.58 1xk3 n ASN 68 Cb 0.24 -0.58 1.07 0.00 -1.54 0.00 0.00 39.78 38.97 1xk3 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1xk3 h LYS 69 N 2.79 0.00 0.04 3.52 2.10 -1.01 -2.77 116.57 121.24 1xk3 h LYS 69 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 1xk3 h LYS 69 Cb 1.59 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.89 1xk3 h LYS 69 CO 0.31 0.00 -1.59 0.93 -2.00 0.00 0.00 179.45 177.10 1xk3 h GLU 70 N 0.00 0.08 -6.98 0.07 4.39 -1.86 -3.28 114.58 106.99 1xk3 h GLU 70 Ca 0.00 -0.14 -0.56 0.00 0.34 0.00 0.00 59.36 59.00 1xk3 h GLU 70 Cb 0.14 0.05 0.15 0.00 -0.10 0.00 0.00 28.75 29.00 1xk3 h GLU 70 CO 0.00 0.78 0.41 0.45 -1.16 0.00 0.00 179.01 179.49 1xk3 n SER 71 N -3.23 1.85 0.08 1.42 2.88 -1.05 -4.69 113.62 110.89 1xk3 n SER 71 Ca -0.16 0.88 0.10 0.00 -1.33 0.00 0.00 58.87 58.37 1xk3 n SER 71 Cb 1.03 -1.50 0.43 0.00 -0.75 0.00 0.00 64.21 63.42 1xk3 n SER 71 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xk3 n PRO 72 N -1.26 0.12 0.12 -1.46 -0.04 -1.26 -0.78 135.00 130.44 1xk3 n PRO 72 Ca 0.13 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1xk3 n PRO 72 Cb 0.46 -1.72 0.44 0.00 -0.04 0.00 0.00 33.50 32.64 1xk3 n PRO 72 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1xk3 h VAL 73 N 0.00 0.00 0.00 0.52 -1.51 -1.90 -3.39 116.25 109.97 1xk3 h VAL 73 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1xk3 h VAL 73 Cb 0.36 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1xk3 h VAL 73 CO 0.00 0.00 -0.38 0.33 -1.23 0.00 0.00 177.57 176.29 1xk3 n PHE 74 N -2.30 0.00 -0.33 5.19 7.35 -1.01 -4.78 117.46 121.58 1xk3 n PHE 74 Ca 0.04 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.84 1xk3 n PHE 74 Cb 0.36 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.42 1xk3 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xk3 n ALA 75 N -1.28 0.40 0.06 3.13 0.00 0.04 -0.11 120.51 122.75 1xk3 n ALA 75 Ca 0.00 1.01 0.19 0.00 0.00 0.00 0.00 53.44 54.64 1xk3 n ALA 75 Cb 0.19 -0.69 0.72 0.00 0.00 0.00 0.00 19.45 19.67 1xk3 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xk3 h PRO 76 N 0.00 0.00 -0.34 0.00 0.11 -1.83 -1.59 132.00 128.35 1xk3 h PRO 76 Ca 0.53 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.61 1xk3 h PRO 76 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1xk3 h PRO 76 CO -0.90 0.00 0.01 1.33 -0.21 0.00 0.00 178.00 178.23 1xk3 n VAL 77 N -4.18 2.42 -2.74 3.15 0.24 0.85 -4.81 118.33 113.27 1xk3 n VAL 77 Ca 0.08 -1.85 -0.43 0.00 -2.04 0.00 0.00 64.34 60.09 1xk3 n VAL 77 Cb 0.55 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 1xk3 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xk3 s TYR 78 N -2.86 2.84 -0.46 6.34 5.04 -0.60 -4.92 117.35 122.73 1xk3 s TYR 78 Ca 0.45 0.42 0.08 0.00 -2.44 0.00 0.00 57.07 55.58 1xk3 s TYR 78 Cb 0.36 -4.17 0.26 0.00 0.35 0.00 0.00 41.96 38.76 1xk3 s TYR 78 CO 0.10 -1.24 0.61 1.19 -1.34 0.00 0.00 175.55 174.86 1xk3 n PHE 79 N 7.53 0.80 0.14 4.97 3.72 -1.26 -5.01 117.46 128.36 1xk3 n PHE 79 Ca 0.07 -3.74 -0.14 0.00 -0.05 0.00 0.00 57.45 53.59 1xk3 n PHE 79 Cb 0.49 -0.41 -0.07 0.00 -0.94 0.00 0.00 39.48 38.54 1xk3 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xk3 h PRO 80 N 3.94 -0.62 -0.81 -1.08 0.13 -1.98 -2.01 132.00 129.56 1xk3 h PRO 80 Ca 0.11 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xk3 h PRO 80 Cb 0.82 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.05 1xk3 h PRO 80 CO 0.57 -0.42 0.52 0.93 -0.23 0.00 0.00 178.00 179.37 1xk3 h GLU 81 N -0.65 1.08 -0.07 0.86 4.39 -1.96 -0.22 114.58 118.01 1xk3 h GLU 81 Ca 0.01 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 1xk3 h GLU 81 Cb 0.65 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1xk3 h GLU 81 CO -0.19 0.73 -0.71 0.93 -1.16 0.00 0.00 179.01 178.61 1xk3 h GLU 82 N 1.11 0.33 0.00 2.33 3.07 -1.79 -3.41 114.58 116.22 1xk3 h GLU 82 Ca 0.30 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1xk3 h GLU 82 Cb -0.10 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1xk3 h GLU 82 CO -0.06 0.91 -1.34 1.28 -1.40 0.00 0.00 179.01 178.41 1xk3 n LEU 83 N -3.82 0.00 -4.55 1.33 4.77 -0.77 -4.61 117.00 109.34 1xk3 n LEU 83 Ca -0.04 0.00 -0.54 0.00 -0.03 0.00 0.00 56.01 55.40 1xk3 n LEU 83 Cb 0.69 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.76 1xk3 n LEU 83 CO 0.47 0.04 0.75 0.00 -1.33 0.00 0.00 177.39 177.32 1xk3 n HIS 84 N -1.87 1.15 0.06 -1.77 1.44 -0.11 -4.89 115.22 109.23 1xk3 n HIS 84 Ca -0.04 0.79 0.03 0.00 -2.01 0.00 0.00 57.72 56.49 1xk3 n HIS 84 Cb 0.32 -2.24 -0.04 0.00 0.12 0.00 0.00 29.99 28.15 1xk3 n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xk3 n ARG 85 N 2.07 1.28 -0.14 -1.40 5.12 -1.26 -4.78 116.66 117.54 1xk3 n ARG 85 Ca 0.19 -0.04 -0.07 0.00 -1.93 0.00 0.00 57.85 56.00 1xk3 n ARG 85 Cb 0.16 -1.06 -0.00 0.00 -1.16 0.00 0.00 32.46 30.40 1xk3 n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1xk3 h LYS 86 N 0.00 -0.20 -0.63 5.56 3.64 -1.90 -1.17 116.57 121.86 1xk3 h LYS 86 Ca 0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1xk3 h LYS 86 Cb 0.24 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1xk3 h LYS 86 CO 0.00 -0.14 0.35 0.00 -2.27 0.00 0.00 179.45 177.39 1xk3 h ALA 87 N 0.88 0.84 -0.50 5.00 0.00 -2.00 0.05 119.26 123.53 1xk3 h ALA 87 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1xk3 h ALA 87 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xk3 h ALA 87 CO -0.58 0.03 0.05 0.00 0.00 0.00 0.00 179.25 178.76 1xk3 h ALA 88 N 1.33 1.16 -0.04 0.00 0.00 -1.73 -2.02 119.26 117.95 1xk3 h ALA 88 Ca 0.28 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1xk3 h ALA 88 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xk3 h ALA 88 CO -0.17 0.55 -0.59 -0.07 0.00 0.00 0.00 179.25 178.97 1xk3 h LEU 89 N 0.76 0.17 -0.54 0.00 3.38 -0.45 -2.05 115.31 116.57 1xk3 h LEU 89 Ca 0.16 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1xk3 h LEU 89 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xk3 h LEU 89 CO 0.01 0.72 -0.08 -0.33 0.09 0.00 0.00 178.44 178.85 1xk3 h GLU 90 N 0.11 1.00 -0.16 1.13 5.08 -0.69 -0.63 114.58 120.43 1xk3 h GLU 90 Ca -0.01 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1xk3 h GLU 90 Cb 1.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1xk3 h GLU 90 CO 0.09 1.04 0.10 1.96 -1.00 0.00 0.00 179.01 181.20 1xk3 h GLN 91 N 0.88 0.19 -0.37 2.33 1.08 -1.16 -2.04 115.11 116.02 1xk3 h GLN 91 Ca 0.14 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.21 1xk3 h GLN 91 Cb 0.64 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1xk3 h GLN 91 CO 0.04 0.13 -0.24 -0.44 -0.95 0.00 0.00 178.83 177.37 1xk3 h ASP 92 N 0.20 0.76 0.40 1.46 3.32 -1.22 -2.84 116.42 118.50 1xk3 h ASP 92 Ca 0.06 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 1xk3 h ASP 92 Cb -0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1xk3 h ASP 92 CO -0.02 0.97 -0.40 -0.07 -1.72 0.00 0.00 179.24 178.00 1xk3 h LEU 93 N 0.65 0.00 -1.13 1.55 3.38 -1.00 0.04 115.31 118.80 1xk3 h LEU 93 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1xk3 h LEU 93 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1xk3 h LEU 93 CO 0.06 0.40 -0.05 0.00 0.09 0.00 0.00 178.44 178.94 1xk3 h ALA 94 N 1.60 1.29 0.01 1.53 0.00 -1.13 0.19 119.26 122.75 1xk3 h ALA 94 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xk3 h ALA 94 Cb 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xk3 h ALA 94 CO 0.05 0.48 -0.01 0.35 0.00 0.00 0.00 179.25 180.12 1xk3 h PHE 95 N 0.52 -0.02 -0.13 0.00 3.57 -1.20 0.80 116.94 120.49 1xk3 h PHE 95 Ca 0.11 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1xk3 h PHE 95 Cb 0.41 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1xk3 h PHE 95 CO 0.01 0.68 -0.45 -1.49 -2.23 0.00 0.00 178.31 174.83 1xk3 h TRP 96 N -0.73 0.37 0.00 0.41 4.06 -0.89 -3.33 115.95 115.83 1xk3 h TRP 96 Ca -0.00 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.84 1xk3 h TRP 96 Cb 0.70 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 1xk3 h TRP 96 CO 0.17 0.71 -0.51 0.66 -3.56 0.00 0.00 178.44 175.91 1xk3 n TYR 97 N -4.00 0.00 0.00 0.49 4.02 0.65 -5.08 117.16 113.25 1xk3 n TYR 97 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1xk3 n TYR 97 Cb 0.51 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1xk3 n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xk3 n GLY 98 N 1.33 0.34 0.42 2.72 0.00 0.28 -4.36 105.19 105.91 1xk3 n GLY 98 Ca 0.01 -1.95 0.23 0.00 0.00 0.00 0.00 46.02 44.31 1xk3 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xk3 h PRO 99 N 0.00 0.00 -0.56 1.61 0.13 -1.91 -1.07 132.00 130.20 1xk3 h PRO 99 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1xk3 h PRO 99 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1xk3 h PRO 99 CO 0.00 0.00 0.17 0.54 -0.23 0.00 0.00 178.00 178.48 1xk3 n ARG 100 N -3.77 2.23 -0.28 0.86 1.74 -1.26 -4.74 116.66 111.45 1xk3 n ARG 100 Ca 0.12 -3.10 0.09 0.00 -0.77 0.00 0.00 57.85 54.19 1xk3 n ARG 100 Cb 0.80 -1.96 0.24 0.00 -1.02 0.00 0.00 32.46 30.52 1xk3 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1xk3 h TRP 101 N 1.23 0.42 0.00 -1.55 5.08 -1.39 -0.16 115.95 119.59 1xk3 h TRP 101 Ca 0.32 0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.34 1xk3 h TRP 101 Cb 2.05 -0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 28.15 1xk3 h TRP 101 CO 1.17 -0.08 -0.00 0.37 -1.28 0.00 0.00 178.44 178.62 1xk3 h GLN 102 N 0.32 0.00 0.00 0.12 4.15 -1.86 0.18 115.11 118.02 1xk3 h GLN 102 Ca 0.48 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.84 1xk3 h GLN 102 Cb 0.87 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1xk3 h GLN 102 CO -0.53 0.00 -0.89 0.93 -1.93 0.00 0.00 178.83 176.41 1xk3 h GLU 103 N 0.00 0.00 0.00 1.69 5.08 -1.41 -3.39 114.58 116.55 1xk3 h GLU 103 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xk3 h GLU 103 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xk3 h GLU 103 CO 0.00 0.16 -0.73 1.33 -1.00 0.00 0.00 179.01 178.78 1xk3 n VAL 104 N -2.89 0.00 -1.78 3.13 0.24 -0.58 -5.01 118.33 111.44 1xk3 n VAL 104 Ca -0.02 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.34 61.63 1xk3 n VAL 104 Cb 0.66 0.74 0.05 0.00 -1.47 0.00 0.00 33.84 33.82 1xk3 n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1xk3 s ILE 105 N -1.99 2.07 0.59 1.34 -4.36 0.52 -4.96 121.20 114.41 1xk3 s ILE 105 Ca 0.01 0.05 -0.14 0.00 -0.26 0.00 0.00 60.65 60.31 1xk3 s ILE 105 Cb 0.05 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 1xk3 s ILE 105 CO 0.29 -0.00 1.03 -2.16 0.24 0.00 0.00 174.94 174.34 1xk3 s PRO 106 N -3.04 3.52 -0.33 0.37 0.04 -1.26 -5.02 135.00 129.28 1xk3 s PRO 106 Ca 0.75 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 1xk3 s PRO 106 Cb -0.40 -2.07 0.13 0.00 0.04 0.00 0.00 34.50 32.20 1xk3 s PRO 106 CO 0.45 -0.63 0.19 -0.47 0.04 0.00 0.00 177.00 176.59 1xk3 s TYR 107 N -2.79 0.52 0.41 0.56 5.04 -1.26 -4.86 117.35 114.97 1xk3 s TYR 107 Ca 0.59 -1.32 0.00 0.00 -2.44 0.00 0.00 57.07 53.90 1xk3 s TYR 107 Cb -0.12 -0.88 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 1xk3 s TYR 107 CO 0.42 -0.84 0.63 0.95 -1.34 0.00 0.00 175.55 175.37 1xk3 s THR 108 N 1.44 4.54 0.41 4.34 -4.23 -1.26 -4.91 115.64 115.97 1xk3 s THR 108 Ca 0.15 -0.43 0.14 0.00 -1.18 0.00 0.00 61.69 60.36 1xk3 s THR 108 Cb -0.20 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.31 1xk3 s THR 108 CO -0.12 -0.47 1.92 1.55 -0.54 0.00 0.00 174.62 176.96 1xk3 h PRO 109 N 0.54 0.46 -0.36 3.99 0.13 -2.01 0.12 132.00 134.88 1xk3 h PRO 109 Ca -0.48 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 1xk3 h PRO 109 Cb 1.23 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1xk3 h PRO 109 CO 0.59 0.31 -0.33 0.00 -0.23 0.00 0.00 178.00 178.34 1xk3 h ALA 110 N 1.64 0.74 -0.40 -0.56 0.00 -1.95 0.13 119.26 118.86 1xk3 h ALA 110 Ca 0.37 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xk3 h ALA 110 Cb 0.75 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1xk3 h ALA 110 CO -0.13 0.66 0.12 0.52 0.00 0.00 0.00 179.25 180.42 1xk3 h MET 111 N 0.67 0.63 -0.75 0.00 2.86 -1.50 -2.77 114.93 114.07 1xk3 h MET 111 Ca 0.07 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1xk3 h MET 111 Cb 0.88 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1xk3 h MET 111 CO 0.08 0.64 0.27 0.37 1.06 0.00 0.00 176.91 179.33 1xk3 h GLN 112 N 0.51 1.14 -0.76 1.72 4.15 -0.53 -1.23 115.11 120.10 1xk3 h GLN 112 Ca 0.13 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1xk3 h GLN 112 Cb 0.28 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 1xk3 h GLN 112 CO -0.00 0.94 0.48 0.00 -1.93 0.00 0.00 178.83 178.32 1xk3 h ARG 113 N 1.09 1.01 -0.09 1.69 3.08 -0.65 0.11 114.38 120.63 1xk3 h ARG 113 Ca 0.25 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1xk3 h ARG 113 Cb 0.25 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1xk3 h ARG 113 CO -0.02 0.69 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.61 1xk3 h TYR 114 N 1.04 0.21 -0.78 3.04 5.03 -1.15 -2.86 116.97 121.50 1xk3 h TYR 114 Ca 0.28 -0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.55 1xk3 h TYR 114 Cb -0.08 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.11 1xk3 h TYR 114 CO 0.00 0.55 0.51 0.28 -1.32 0.00 0.00 178.16 178.18 1xk3 h VAL 115 N -0.19 1.16 -0.02 1.81 2.07 -0.82 -2.56 116.25 117.71 1xk3 h VAL 115 Ca 0.02 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1xk3 h VAL 115 Cb 0.50 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1xk3 h VAL 115 CO 0.01 0.19 -0.06 0.50 0.02 0.00 0.00 177.57 178.23 1xk3 h LYS 116 N 1.01 -0.09 -0.59 1.57 3.64 -0.79 -2.53 116.57 118.79 1xk3 h LYS 116 Ca 0.30 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1xk3 h LYS 116 Cb -0.06 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1xk3 h LYS 116 CO -0.09 -0.06 0.29 -0.09 -2.27 0.00 0.00 179.45 177.24 1xk3 h ARG 117 N -0.09 0.82 -0.17 1.90 9.65 -1.34 -1.07 114.38 124.08 1xk3 h ARG 117 Ca 0.03 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1xk3 h ARG 117 Cb 0.14 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1xk3 h ARG 117 CO -0.08 0.63 0.10 -0.07 2.80 0.00 0.00 179.97 183.35 1xk3 h LEU 118 N 0.82 0.21 -0.83 3.80 3.38 -1.17 -0.03 115.31 121.50 1xk3 h LEU 118 Ca 0.21 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1xk3 h LEU 118 Cb 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xk3 h LEU 118 CO -0.03 0.21 -0.15 0.45 0.09 0.00 0.00 178.44 179.01 1xk3 h HIS 119 N 0.20 0.79 0.02 1.13 3.86 -1.22 0.10 115.15 120.04 1xk3 h HIS 119 Ca 0.06 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1xk3 h HIS 119 Cb 0.04 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1xk3 h HIS 119 CO -0.05 0.82 -0.03 0.93 0.86 0.00 0.00 177.93 180.46 1xk3 h GLU 120 N 0.64 -0.07 -0.23 2.45 5.08 -0.86 0.29 114.58 121.88 1xk3 h GLU 120 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1xk3 h GLU 120 Cb 0.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1xk3 h GLU 120 CO 0.04 -0.05 0.11 0.28 -1.00 0.00 0.00 179.01 178.39 1xk3 h VAL 121 N -0.07 1.15 0.00 3.13 2.07 -0.87 0.14 116.25 121.80 1xk3 h VAL 121 Ca 0.01 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1xk3 h VAL 121 Cb 0.08 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1xk3 h VAL 121 CO -0.02 0.15 -0.28 1.23 0.02 0.00 0.00 177.57 178.67 1xk3 h GLY 122 N 0.24 0.00 0.36 2.17 0.00 -0.73 0.68 103.07 105.79 1xk3 h GLY 122 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 1xk3 h GLY 122 CO -0.01 0.00 -1.84 0.54 0.00 0.00 0.00 176.54 175.23 1xk3 n ARG 123 N -4.05 0.65 0.00 4.80 1.74 0.98 -4.38 116.66 116.40 1xk3 n ARG 123 Ca -0.02 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1xk3 n ARG 123 Cb 0.34 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1xk3 n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xk3 n THR 124 N -2.60 0.00 -2.95 0.55 -2.24 0.47 -4.88 114.28 102.63 1xk3 n THR 124 Ca -0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1xk3 n THR 124 Cb 0.79 -0.38 0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1xk3 n THR 124 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xk3 n GLU 125 N -1.74 1.03 0.26 -0.78 0.28 -0.34 -4.96 120.64 114.39 1xk3 n GLU 125 Ca 0.00 -2.87 0.11 0.00 -0.16 0.00 0.00 57.16 54.24 1xk3 n GLU 125 Cb 0.29 -1.33 0.59 0.00 1.43 0.00 0.00 31.44 32.42 1xk3 n GLU 125 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1xk3 h PRO 126 N 2.92 0.00 0.00 3.44 0.13 0.10 -0.25 132.00 138.34 1xk3 h PRO 126 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1xk3 h PRO 126 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1xk3 h PRO 126 CO 0.36 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.28 1xk3 n GLU 127 N -2.50 0.14 0.00 0.86 0.00 -1.26 -1.33 120.64 116.55 1xk3 n GLU 127 Ca -0.01 0.52 0.11 0.00 0.00 0.00 0.00 57.16 57.77 1xk3 n GLU 127 Cb 0.36 -1.87 -0.03 0.00 0.00 0.00 0.00 31.44 29.90 1xk3 n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xk3 n LEU 128 N -2.16 1.80 -0.24 -1.84 4.77 -0.10 -4.45 117.00 114.78 1xk3 n LEU 128 Ca 0.00 -0.71 0.10 0.00 -0.03 0.00 0.00 56.01 55.38 1xk3 n LEU 128 Cb 0.12 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.58 1xk3 n LEU 128 CO 0.13 0.35 1.22 0.25 -1.33 0.00 0.00 177.39 178.01 1xk3 h LEU 129 N 1.90 0.65 -1.96 2.23 5.85 -1.37 0.04 115.31 122.65 1xk3 h LEU 129 Ca 0.00 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.93 1xk3 h LEU 129 Cb 0.69 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1xk3 h LEU 129 CO 0.00 0.36 0.47 1.62 -0.34 0.00 0.00 178.44 180.56 1xk3 h VAL 130 N 0.71 0.68 -0.74 1.05 3.04 -1.78 0.78 116.25 119.99 1xk3 h VAL 130 Ca 0.40 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 66.03 1xk3 h VAL 130 Cb 0.57 0.64 -0.03 0.00 -2.01 0.00 0.00 31.29 30.46 1xk3 h VAL 130 CO -0.16 0.01 0.29 0.00 -1.01 0.00 0.00 177.57 176.70 1xk3 h ALA 131 N 1.67 0.96 0.16 3.17 0.00 -1.27 -1.18 119.26 122.77 1xk3 h ALA 131 Ca 0.32 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 1xk3 h ALA 131 Cb 1.21 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1xk3 h ALA 131 CO -0.01 0.59 -1.30 0.45 0.00 0.00 0.00 179.25 178.97 1xk3 h HIS 132 N 1.07 0.82 -0.43 0.00 -0.00 -0.99 -2.73 115.15 112.88 1xk3 h HIS 132 Ca 0.25 -0.56 -0.01 0.00 -0.00 0.00 0.00 60.37 60.04 1xk3 h HIS 132 Cb 0.22 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1xk3 h HIS 132 CO 0.02 1.42 0.24 0.00 -0.00 0.00 0.00 177.93 179.61 1xk3 h ALA 133 N 0.37 0.55 0.87 2.45 0.00 -1.08 -1.27 119.26 121.15 1xk3 h ALA 133 Ca -0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1xk3 h ALA 133 Cb 2.00 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.62 1xk3 h ALA 133 CO 0.24 0.07 -0.42 -0.92 0.00 0.00 0.00 179.25 178.22 1xk3 h TYR 134 N 0.56 -1.08 -0.16 0.00 3.20 -1.30 -0.15 116.97 118.05 1xk3 h TYR 134 Ca 0.15 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1xk3 h TYR 134 Cb 0.05 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1xk3 h TYR 134 CO -0.02 -0.67 -0.29 1.15 -1.64 0.00 0.00 178.16 176.69 1xk3 h THR 135 N -1.20 0.33 0.17 1.81 2.02 -1.44 -2.18 112.91 112.42 1xk3 h THR 135 Ca -0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1xk3 h THR 135 Cb 0.90 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1xk3 h THR 135 CO 0.20 0.00 -0.08 0.03 0.37 0.00 0.00 175.52 176.04 1xk3 h ARG 136 N -0.35 -0.22 0.20 6.66 2.47 -1.26 -2.64 114.38 119.25 1xk3 h ARG 136 Ca 0.11 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1xk3 h ARG 136 Cb 0.51 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 1xk3 h ARG 136 CO -0.35 -0.14 -0.38 1.88 0.56 0.00 0.00 179.97 181.53 1xk3 h TYR 137 N -0.29 -1.08 0.00 3.04 0.05 -1.08 0.17 116.97 117.78 1xk3 h TYR 137 Ca -0.02 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1xk3 h TYR 137 Cb 0.17 0.44 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1xk3 h TYR 137 CO 0.13 -0.46 -0.20 -0.07 -1.05 0.00 0.00 178.16 176.51 1xk3 h LEU 138 N -0.63 0.00 0.03 3.88 3.38 -1.52 0.91 115.31 121.36 1xk3 h LEU 138 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xk3 h LEU 138 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xk3 h LEU 138 CO -0.14 0.20 -0.02 1.23 0.09 0.00 0.00 178.44 179.81 1xk3 h GLY 139 N 0.99 -0.04 1.59 0.83 0.00 -1.23 -1.51 103.07 103.69 1xk3 h GLY 139 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1xk3 h GLY 139 CO 0.03 -0.02 -0.17 -0.55 0.00 0.00 0.00 176.54 175.83 1xk3 h ASP 140 N -0.55 0.48 -0.27 0.19 3.32 -0.39 -2.34 116.42 116.86 1xk3 h ASP 140 Ca -0.00 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1xk3 h ASP 140 Cb 0.51 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1xk3 h ASP 140 CO 0.01 0.67 -0.02 0.25 -1.72 0.00 0.00 179.24 178.43 1xk3 h LEU 141 N 0.45 0.48 0.03 1.55 5.85 -0.83 0.13 115.31 122.97 1xk3 h LEU 141 Ca 0.08 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1xk3 h LEU 141 Cb 0.56 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1xk3 h LEU 141 CO 0.04 0.69 -0.02 0.28 -0.34 0.00 0.00 178.44 179.10 1xk3 h SER 142 N 0.26 -0.04 0.29 1.25 0.02 -1.09 -3.20 113.55 111.04 1xk3 h SER 142 Ca 0.07 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1xk3 h SER 142 Cb 0.46 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1xk3 h SER 142 CO 0.02 0.12 -0.35 0.61 -1.14 0.00 0.00 176.83 176.09 1xk3 n GLY 143 N -0.70 -0.77 0.43 -3.77 0.00 -0.90 -4.55 105.19 94.94 1xk3 n GLY 143 Ca -0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1xk3 n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xk3 h GLY 144 N 4.94 -0.80 0.57 -0.02 0.00 -0.73 -1.76 103.07 105.28 1xk3 h GLY 144 Ca 0.00 0.60 0.11 0.00 0.00 0.00 0.00 47.33 48.04 1xk3 h GLY 144 CO 0.00 -0.19 0.61 1.46 0.00 0.00 0.00 176.54 178.43 1xk3 h GLN 145 N -0.45 0.93 0.38 4.80 1.08 -1.78 -0.84 115.11 119.23 1xk3 h GLN 145 Ca 0.08 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1xk3 h GLN 145 Cb 0.63 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1xk3 h GLN 145 CO -0.50 0.61 -0.18 0.28 -0.95 0.00 0.00 178.83 178.09 1xk3 h VAL 146 N 0.95 0.51 -0.66 -0.54 2.07 -1.77 -2.51 116.25 114.31 1xk3 h VAL 146 Ca 0.46 -0.58 0.15 0.00 0.82 0.00 0.00 66.70 67.55 1xk3 h VAL 146 Cb 0.46 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1xk3 h VAL 146 CO -0.22 0.09 0.46 -0.07 0.02 0.00 0.00 177.57 177.84 1xk3 h LEU 147 N -0.90 0.22 0.22 2.57 3.38 -1.11 -1.47 115.31 118.22 1xk3 h LEU 147 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xk3 h LEU 147 Cb 0.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xk3 h LEU 147 CO 0.09 0.12 -0.11 0.50 0.09 0.00 0.00 178.44 179.13 1xk3 h LYS 148 N 0.24 -0.29 -0.89 1.13 3.64 -1.06 -0.33 116.57 119.01 1xk3 h LYS 148 Ca 0.32 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.79 1xk3 h LYS 148 Cb 0.93 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 1xk3 h LYS 148 CO -0.07 -0.06 0.56 -0.22 -2.27 0.00 0.00 179.45 177.39 1xk3 h LYS 149 N -0.47 0.97 0.07 1.90 3.64 -0.84 -0.61 116.57 121.22 1xk3 h LYS 149 Ca -0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1xk3 h LYS 149 Cb 0.36 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1xk3 h LYS 149 CO 0.05 0.64 -0.03 0.82 -2.27 0.00 0.00 179.45 178.66 1xk3 h ILE 150 N 1.00 0.98 -0.66 2.00 2.04 -1.16 -2.69 117.51 119.02 1xk3 h ILE 150 Ca 0.40 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 66.20 1xk3 h ILE 150 Cb 0.20 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1xk3 h ILE 150 CO -0.18 0.04 0.29 0.00 0.00 0.00 0.00 178.15 178.29 1xk3 h ALA 151 N 0.77 0.88 -0.77 1.87 0.00 -0.36 -1.45 119.26 120.21 1xk3 h ALA 151 Ca -0.01 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1xk3 h ALA 151 Cb 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1xk3 h ALA 151 CO 0.02 -0.12 0.44 1.96 0.00 0.00 0.00 179.25 181.54 1xk3 h GLN 152 N 0.50 0.76 -0.14 0.00 4.20 -0.91 0.12 115.11 119.64 1xk3 h GLN 152 Ca 0.33 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.93 1xk3 h GLN 152 Cb 0.38 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1xk3 h GLN 152 CO -0.29 0.50 -0.17 -0.22 -0.67 0.00 0.00 178.83 177.99 1xk3 h LYS 153 N 0.78 0.36 -0.01 1.46 3.64 -1.05 -3.14 116.57 118.61 1xk3 h LYS 153 Ca 0.35 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 1xk3 h LYS 153 Cb 0.25 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1xk3 h LYS 153 CO -0.21 0.76 -0.79 0.00 -2.27 0.00 0.00 179.45 176.95 1xk3 h ALA 154 N 0.59 0.66 0.00 5.00 0.00 -1.07 -3.35 119.26 121.09 1xk3 h ALA 154 Ca 0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 1xk3 h ALA 154 Cb 0.71 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1xk3 h ALA 154 CO 0.04 0.90 -0.91 -0.07 0.00 0.00 0.00 179.25 179.21 1xk3 h LEU 155 N 0.07 0.00 -3.02 0.00 3.38 -0.87 -3.48 115.31 111.38 1xk3 h LEU 155 Ca -0.02 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.50 1xk3 h LEU 155 Cb 1.38 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.20 1xk3 h LEU 155 CO 0.11 0.46 -0.93 0.47 0.09 0.00 0.00 178.44 178.64 1xk3 n ASP 156 N -3.02 -4.41 -4.78 -0.43 10.43 -1.19 -4.91 116.55 108.24 1xk3 n ASP 156 Ca -0.03 -1.03 -0.33 0.00 2.57 0.00 0.00 54.79 55.98 1xk3 n ASP 156 Cb 0.75 -3.26 0.05 0.00 1.84 0.00 0.00 41.12 40.49 1xk3 n ASP 156 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1xk3 s LEU 157 N -6.61 3.37 0.59 0.64 1.43 -1.26 -5.01 118.68 111.82 1xk3 s LEU 157 Ca 0.40 1.95 -0.16 0.00 -1.03 0.00 0.00 54.13 55.28 1xk3 s LEU 157 Cb -0.15 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 1xk3 s LEU 157 CO 0.87 -1.59 1.07 -2.16 0.23 0.00 0.00 176.35 174.77 1xk3 s PRO 158 N -4.19 3.31 -0.91 1.29 0.04 -1.26 -4.87 135.00 128.41 1xk3 s PRO 158 Ca 0.66 1.28 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 1xk3 s PRO 158 Cb -0.19 -2.03 -0.15 0.00 0.04 0.00 0.00 34.50 32.17 1xk3 s PRO 158 CO 0.42 -0.83 3.02 -1.13 0.04 0.00 0.00 177.00 178.52 1xk3 n SER 159 N -1.90 6.77 -1.28 6.66 3.41 -1.26 -4.35 113.62 121.67 1xk3 n SER 159 Ca 0.09 -2.47 0.09 0.00 -0.26 0.00 0.00 58.87 56.32 1xk3 n SER 159 Cb 0.53 -1.40 0.30 0.00 -0.26 0.00 0.00 64.21 63.37 1xk3 n SER 159 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xk3 n SER 160 N 3.25 4.20 -3.05 4.04 3.41 -1.26 -4.99 113.62 119.22 1xk3 n SER 160 Ca 0.59 -2.39 -0.22 0.00 -0.26 0.00 0.00 58.87 56.59 1xk3 n SER 160 Cb 0.46 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1xk3 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xk3 n GLY 161 N 0.83 -0.52 3.55 5.00 0.00 -1.26 -4.99 105.19 107.81 1xk3 n GLY 161 Ca 0.22 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 1xk3 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xk3 s GLU 162 N -5.73 1.42 0.00 1.61 -1.05 -1.26 -4.98 118.70 108.71 1xk3 s GLU 162 Ca 0.31 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1xk3 s GLU 162 Cb -0.14 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1xk3 s GLU 162 CO 0.38 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 176.38 1xk3 n GLY 163 N -0.37 1.15 0.93 -3.83 0.00 -1.26 -4.95 105.19 96.85 1xk3 n GLY 163 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1xk3 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xk3 n LEU 164 N 0.00 0.99 0.26 0.99 4.77 -1.26 -4.83 117.00 117.92 1xk3 n LEU 164 Ca 0.00 -1.99 0.10 0.00 -0.03 0.00 0.00 56.01 54.09 1xk3 n LEU 164 Cb 0.00 -0.10 0.70 0.00 -2.33 0.00 0.00 43.42 41.69 1xk3 n LEU 164 CO 0.00 0.54 1.08 0.00 -1.33 0.00 0.00 177.39 177.69 1xk3 h ALA 165 N 0.57 1.91 -0.83 -1.18 0.00 -1.93 -2.02 119.26 115.79 1xk3 h ALA 165 Ca -0.10 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.95 1xk3 h ALA 165 Cb 1.54 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1xk3 h ALA 165 CO 0.05 -0.02 0.54 0.35 0.00 0.00 0.00 179.25 180.17 1xk3 h PHE 166 N 0.00 0.67 0.00 0.00 3.57 -1.88 -1.59 116.94 117.72 1xk3 h PHE 166 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xk3 h PHE 166 Cb 0.02 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1xk3 h PHE 166 CO 0.00 0.26 0.00 1.19 -2.23 0.00 0.00 178.31 177.53 1xk3 n PHE 167 N -4.52 0.00 -4.02 0.41 3.72 -0.76 -4.69 117.46 107.60 1xk3 n PHE 167 Ca 0.16 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.30 1xk3 n PHE 167 Cb 0.49 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.86 1xk3 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xk3 s THR 168 N -2.00 0.97 -0.79 4.37 2.01 -0.60 -4.41 115.64 115.19 1xk3 s THR 168 Ca 0.13 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 1xk3 s THR 168 Cb 0.06 -0.98 0.21 0.00 0.01 0.00 0.00 72.50 71.80 1xk3 s THR 168 CO 0.10 0.35 0.73 -0.36 -0.69 0.00 0.00 174.62 174.75 1xk3 s PHE 169 N 1.52 3.71 0.52 4.92 0.40 -1.26 -4.93 117.98 122.86 1xk3 s PHE 169 Ca 0.01 -1.95 0.26 0.00 -0.60 0.00 0.00 56.93 54.65 1xk3 s PHE 169 Cb -0.13 -3.80 1.59 0.00 0.51 0.00 0.00 43.02 41.19 1xk3 s PHE 169 CO -0.06 -0.99 2.17 -1.00 0.70 0.00 0.00 175.22 176.05 1xk3 h PRO 170 N 7.86 0.00 -0.73 0.24 0.13 -1.93 -2.72 132.00 134.85 1xk3 h PRO 170 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1xk3 h PRO 170 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xk3 h PRO 170 CO 0.78 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 1xk3 n ASN 171 N -3.91 3.52 -3.80 1.44 5.03 -1.26 -4.67 115.26 111.61 1xk3 n ASN 171 Ca -0.03 -2.47 -0.29 0.00 0.87 0.00 0.00 54.58 52.67 1xk3 n ASN 171 Cb 0.14 -0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 38.16 1xk3 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xk3 s ILE 172 N -1.94 0.87 0.07 2.41 1.01 -1.03 -4.63 121.20 117.97 1xk3 s ILE 172 Ca 0.30 -0.80 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1xk3 s ILE 172 Cb 0.22 -1.30 -0.11 0.00 0.01 0.00 0.00 42.46 41.28 1xk3 s ILE 172 CO 0.10 -0.18 1.40 0.00 0.00 0.00 0.00 174.94 176.26 1xk3 h ALA 173 N 8.14 0.31 -3.23 9.38 0.00 -1.84 -3.43 119.26 128.59 1xk3 h ALA 173 Ca -0.17 -0.33 -0.51 0.00 0.00 0.00 0.00 54.91 53.90 1xk3 h ALA 173 Cb 1.10 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 18.46 1xk3 h ALA 173 CO 0.36 0.20 -0.80 0.45 0.00 0.00 0.00 179.25 179.46 1xk3 s SER 174 N -6.22 2.03 0.29 0.00 0.15 -1.26 -5.01 113.70 103.68 1xk3 s SER 174 Ca -0.13 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1xk3 s SER 174 Cb 0.07 -0.79 0.45 0.00 -1.71 0.00 0.00 66.02 64.04 1xk3 s SER 174 CO 0.78 -0.10 1.84 0.00 1.20 0.00 0.00 173.24 176.95 1xk3 h ALA 175 N 7.98 1.25 -0.12 5.45 0.00 -1.97 -1.57 119.26 130.28 1xk3 h ALA 175 Ca -0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1xk3 h ALA 175 Cb 1.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xk3 h ALA 175 CO 0.41 0.51 -0.02 1.15 0.00 0.00 0.00 179.25 181.30 1xk3 h THR 176 N 0.72 1.28 -0.54 0.00 2.02 -1.99 -1.40 112.91 112.99 1xk3 h THR 176 Ca 0.16 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 1xk3 h THR 176 Cb 0.31 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1xk3 h THR 176 CO 0.00 0.26 0.10 0.11 0.37 0.00 0.00 175.52 176.37 1xk3 h LYS 177 N -0.08 0.85 -0.33 6.66 1.57 -1.94 -2.28 116.57 121.02 1xk3 h LYS 177 Ca 0.03 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1xk3 h LYS 177 Cb 0.42 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xk3 h LYS 177 CO 0.01 0.79 -0.33 0.35 -0.57 0.00 0.00 179.45 179.70 1xk3 h PHE 178 N 0.81 0.96 -0.75 -1.35 3.57 -1.26 -2.85 116.94 116.07 1xk3 h PHE 178 Ca 0.17 -0.29 0.07 0.00 3.53 0.00 0.00 57.97 61.45 1xk3 h PHE 178 Cb 0.34 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 1xk3 h PHE 178 CO 0.02 1.07 0.43 -0.22 -2.23 0.00 0.00 178.31 177.39 1xk3 h LYS 179 N 0.58 0.76 -0.21 1.11 3.64 -1.04 0.48 116.57 121.89 1xk3 h LYS 179 Ca 0.05 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1xk3 h LYS 179 Cb 0.91 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1xk3 h LYS 179 CO 0.08 0.50 0.12 1.96 -2.27 0.00 0.00 179.45 179.85 1xk3 h GLN 180 N 0.78 0.25 -0.31 1.90 4.20 -1.31 -0.69 115.11 119.94 1xk3 h GLN 180 Ca 0.34 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 1xk3 h GLN 180 Cb 0.22 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1xk3 h GLN 180 CO -0.19 0.17 0.14 1.25 -0.67 0.00 0.00 178.83 179.52 1xk3 h LEU 181 N 0.26 0.41 -0.24 1.46 5.85 -1.17 -1.47 115.31 120.41 1xk3 h LEU 181 Ca 0.08 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1xk3 h LEU 181 Cb -0.01 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1xk3 h LEU 181 CO -0.03 0.44 0.09 0.22 -0.34 0.00 0.00 178.44 178.81 1xk3 h TYR 182 N 0.36 0.16 -0.45 1.25 3.20 -0.68 -0.76 116.97 120.05 1xk3 h TYR 182 Ca 0.10 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1xk3 h TYR 182 Cb 0.14 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1xk3 h TYR 182 CO -0.01 0.08 0.09 0.93 -1.64 0.00 0.00 178.16 177.61 1xk3 h GLU 183 N 0.20 0.67 0.14 1.82 5.08 -1.05 -0.21 114.58 121.24 1xk3 h GLU 183 Ca 0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xk3 h GLU 183 Cb 0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1xk3 h GLU 183 CO -0.10 0.63 -0.13 1.03 -1.00 0.00 0.00 179.01 179.43 1xk3 h SER 184 N 0.65 -0.35 -0.09 1.42 0.87 -0.42 0.13 113.55 115.76 1xk3 h SER 184 Ca 0.15 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1xk3 h SER 184 Cb 0.27 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1xk3 h SER 184 CO -0.00 -0.21 -0.03 0.03 -0.53 0.00 0.00 176.83 176.10 1xk3 h ARG 185 N -0.30 0.30 -0.23 2.24 -0.00 -0.75 -2.43 114.38 113.21 1xk3 h ARG 185 Ca 0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 1xk3 h ARG 185 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.19 1xk3 h ARG 185 CO -0.03 0.35 0.10 0.52 0.00 0.00 0.00 179.97 180.91 1xk3 h MET 186 N 0.29 0.34 0.00 0.04 2.86 -0.26 -2.45 114.93 115.75 1xk3 h MET 186 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xk3 h MET 186 Cb 0.24 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1xk3 h MET 186 CO 0.01 0.37 0.00 0.09 1.06 0.00 0.00 176.91 178.44 1xk3 n ASN 187 N -4.81 0.55 0.01 1.22 3.02 -0.04 -1.61 115.26 113.60 1xk3 n ASN 187 Ca -0.03 0.64 0.12 0.00 -0.03 0.00 0.00 54.58 55.28 1xk3 n ASN 187 Cb 0.12 -0.75 0.29 0.00 -0.61 0.00 0.00 39.78 38.82 1xk3 n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xk3 n SER 188 N -2.11 0.48 -4.74 6.41 3.41 -0.94 -4.86 113.62 111.27 1xk3 n SER 188 Ca 0.02 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 1xk3 n SER 188 Cb 0.21 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1xk3 n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1xk3 s LEU 189 N -3.29 4.36 -0.18 1.04 2.96 -0.63 -4.98 118.68 117.96 1xk3 s LEU 189 Ca 0.10 2.86 -0.14 0.00 -0.22 0.00 0.00 54.13 56.74 1xk3 s LEU 189 Cb 0.17 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 1xk3 s LEU 189 CO 0.68 -0.91 0.29 -1.61 -1.32 0.00 0.00 176.35 173.48 1xk3 s GLU 190 N 0.26 4.23 -0.05 1.98 0.41 -1.26 -5.07 118.70 119.19 1xk3 s GLU 190 Ca 0.68 0.06 -0.29 0.00 -0.41 0.00 0.00 54.97 55.00 1xk3 s GLU 190 Cb -0.47 -3.45 0.10 0.00 -1.78 0.00 0.00 34.13 28.52 1xk3 s GLU 190 CO 0.40 0.18 0.83 0.00 -0.49 0.00 0.00 175.26 176.19 1xk3 s MET 191 N 0.64 0.86 0.70 1.61 0.23 -1.26 -4.92 119.30 117.16 1xk3 s MET 191 Ca 0.16 0.00 -0.12 0.00 -1.03 0.00 0.00 55.69 54.70 1xk3 s MET 191 Cb -0.13 0.40 0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1xk3 s MET 191 CO 0.04 -0.31 1.07 0.95 -2.03 0.00 0.00 175.02 174.74 1xk3 s THR 192 N -1.91 3.68 0.55 3.16 -4.23 -1.26 -4.80 115.64 110.84 1xk3 s THR 192 Ca -0.03 0.61 0.24 0.00 -1.18 0.00 0.00 61.69 61.34 1xk3 s THR 192 Cb -0.01 -3.21 0.34 0.00 1.34 0.00 0.00 72.50 70.97 1xk3 s THR 192 CO -0.00 -0.65 2.11 1.55 -0.54 0.00 0.00 174.62 177.08 1xk3 h PRO 193 N -0.58 0.00 0.26 3.99 0.13 -2.02 -0.84 132.00 132.95 1xk3 h PRO 193 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1xk3 h PRO 193 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xk3 h PRO 193 CO 0.55 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.19 1xk3 h ALA 194 N 1.85 -0.35 -0.50 -0.56 0.00 -2.00 -2.13 119.26 115.57 1xk3 h ALA 194 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xk3 h ALA 194 Cb 0.42 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1xk3 h ALA 194 CO -0.00 -0.53 0.33 0.28 0.00 0.00 0.00 179.25 179.33 1xk3 h VAL 195 N -0.69 1.13 -0.94 0.00 2.07 -1.76 -2.32 116.25 113.73 1xk3 h VAL 195 Ca -0.04 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.31 1xk3 h VAL 195 Cb 0.48 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1xk3 h VAL 195 CO 0.06 0.12 0.61 -0.09 0.02 0.00 0.00 177.57 178.30 1xk3 h ARG 196 N 0.68 1.08 -0.68 1.57 2.43 -1.18 0.19 114.38 118.45 1xk3 h ARG 196 Ca 0.18 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1xk3 h ARG 196 Cb -0.08 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.20 1xk3 h ARG 196 CO -0.04 0.71 0.27 0.37 -1.51 0.00 0.00 179.97 179.78 1xk3 h GLN 197 N 1.11 1.02 -0.18 0.20 5.75 -0.87 -1.60 115.11 120.54 1xk3 h GLN 197 Ca 0.40 -0.19 -0.11 0.00 -0.15 0.00 0.00 58.65 58.60 1xk3 h GLN 197 Cb 0.15 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1xk3 h GLN 197 CO -0.15 0.85 -0.36 0.00 -2.65 0.00 0.00 178.83 176.52 1xk3 h ARG 198 N 0.97 0.38 -0.55 1.69 3.08 -0.65 -1.12 114.38 118.18 1xk3 h ARG 198 Ca 0.23 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1xk3 h ARG 198 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1xk3 h ARG 198 CO -0.02 0.70 0.19 0.28 -1.07 0.00 0.00 179.97 180.04 1xk3 h VAL 199 N 0.32 1.23 -0.41 2.04 2.07 -0.29 0.19 116.25 121.41 1xk3 h VAL 199 Ca 0.04 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1xk3 h VAL 199 Cb 0.79 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1xk3 h VAL 199 CO 0.06 0.29 0.18 0.40 0.02 0.00 0.00 177.57 178.52 1xk3 h ILE 200 N 0.77 1.19 -0.66 4.57 1.08 -1.03 -2.09 117.51 121.34 1xk3 h ILE 200 Ca 0.18 -0.56 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1xk3 h ILE 200 Cb 0.26 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 1xk3 h ILE 200 CO -0.01 0.21 0.25 -0.33 -0.69 0.00 0.00 178.15 177.58 1xk3 h GLU 201 N 0.51 1.00 0.00 2.37 4.39 -0.86 -2.43 114.58 119.56 1xk3 h GLU 201 Ca 0.14 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1xk3 h GLU 201 Cb 0.16 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xk3 h GLU 201 CO -0.01 0.85 -0.06 1.49 -1.16 0.00 0.00 179.01 180.12 1xk3 h GLU 202 N 0.95 0.00 -0.38 2.33 4.57 -0.35 -0.32 114.58 121.37 1xk3 h GLU 202 Ca 0.22 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.31 1xk3 h GLU 202 Cb 0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1xk3 h GLU 202 CO -0.02 0.06 -0.13 0.00 -1.18 0.00 0.00 179.01 177.75 1xk3 h ALA 203 N 1.94 1.08 -0.30 2.92 0.00 -0.87 -1.12 119.26 122.91 1xk3 h ALA 203 Ca -0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1xk3 h ALA 203 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xk3 h ALA 203 CO 0.01 0.57 -0.18 0.87 0.00 0.00 0.00 179.25 180.52 1xk3 h LYS 204 N 0.61 0.64 -0.57 0.00 1.57 -1.03 -2.80 116.57 114.99 1xk3 h LYS 204 Ca 0.10 -0.30 0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1xk3 h LYS 204 Cb 0.57 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 1xk3 h LYS 204 CO 0.04 0.89 0.26 1.15 -0.57 0.00 0.00 179.45 181.21 1xk3 h THR 205 N 0.39 0.88 -0.43 -0.16 2.02 -1.04 -0.79 112.91 113.78 1xk3 h THR 205 Ca 0.06 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1xk3 h THR 205 Cb 0.71 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1xk3 h THR 205 CO 0.05 0.09 0.17 0.00 0.37 0.00 0.00 175.52 176.20 1xk3 h ALA 206 N 1.34 0.52 -0.66 6.16 0.00 -1.12 0.13 119.26 125.63 1xk3 h ALA 206 Ca 0.27 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1xk3 h ALA 206 Cb 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xk3 h ALA 206 CO -0.22 -0.22 0.29 0.74 0.00 0.00 0.00 179.25 179.84 1xk3 h PHE 207 N 0.34 0.99 -0.48 0.00 0.04 -1.12 -2.17 116.94 114.54 1xk3 h PHE 207 Ca 0.20 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.84 1xk3 h PHE 207 Cb 0.17 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1xk3 h PHE 207 CO -0.14 0.76 0.04 -0.07 -0.60 0.00 0.00 178.31 178.29 1xk3 h LEU 208 N 0.93 0.74 -1.42 1.54 3.38 -0.50 0.11 115.31 120.09 1xk3 h LEU 208 Ca 0.22 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1xk3 h LEU 208 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xk3 h LEU 208 CO -0.02 0.78 -0.16 -0.07 0.09 0.00 0.00 178.44 179.06 1xk3 h LEU 209 N 0.74 0.18 -0.02 1.67 3.38 -0.40 0.23 115.31 121.08 1xk3 h LEU 209 Ca 0.15 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1xk3 h LEU 209 Cb 0.40 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xk3 h LEU 209 CO 0.01 0.36 -0.64 0.78 0.09 0.00 0.00 178.44 179.04 1xk3 h ASN 210 N 0.18 0.60 -0.07 -0.43 2.35 -0.67 -2.03 115.58 115.52 1xk3 h ASN 210 Ca 0.04 -0.74 0.03 0.00 -0.55 0.00 0.00 56.30 55.08 1xk3 h ASN 210 Cb 0.39 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1xk3 h ASN 210 CO 0.02 1.25 -0.09 0.40 -1.65 0.00 0.00 177.43 177.37 1xk3 h ILE 211 N 0.00 0.75 -0.69 2.81 2.04 -0.35 -0.44 117.51 121.63 1xk3 h ILE 211 Ca -0.07 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.91 1xk3 h ILE 211 Cb 1.33 0.75 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 1xk3 h ILE 211 CO 0.13 0.00 0.26 -0.61 0.00 0.00 0.00 178.15 177.92 1xk3 h GLN 212 N -0.13 0.40 -0.68 2.37 4.15 -0.58 -0.96 115.11 119.68 1xk3 h GLN 212 Ca 0.06 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1xk3 h GLN 212 Cb 0.21 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1xk3 h GLN 212 CO -0.14 0.27 0.34 1.25 -1.93 0.00 0.00 178.83 178.61 1xk3 h LEU 213 N 0.42 0.88 -0.28 -2.39 5.85 -0.72 -2.11 115.31 116.96 1xk3 h LEU 213 Ca 0.36 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1xk3 h LEU 213 Cb 0.51 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1xk3 h LEU 213 CO -0.37 0.76 0.16 -0.26 -0.34 0.00 0.00 178.44 178.39 1xk3 h PHE 214 N 0.95 0.38 -0.73 1.25 0.04 0.15 -0.88 116.94 118.09 1xk3 h PHE 214 Ca 0.24 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.03 1xk3 h PHE 214 Cb 0.10 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 1xk3 h PHE 214 CO 0.00 0.30 0.46 0.93 -0.60 0.00 0.00 178.31 179.40 1xk3 h GLU 215 N 0.35 0.86 -0.31 1.51 5.08 -1.08 -1.33 114.58 119.66 1xk3 h GLU 215 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1xk3 h GLU 215 Cb 0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1xk3 h GLU 215 CO -0.02 0.57 0.06 1.49 -1.00 0.00 0.00 179.01 180.12 1xk3 h GLU 216 N 0.89 0.50 -0.92 2.33 4.81 -1.11 -2.11 114.58 118.98 1xk3 h GLU 216 Ca 0.29 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1xk3 h GLU 216 Cb 0.03 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1xk3 h GLU 216 CO -0.11 0.59 0.60 -0.07 -0.73 0.00 0.00 179.01 179.29 1xk3 h LEU 217 N 0.33 1.06 -0.72 1.64 3.38 -0.81 -1.13 115.31 119.06 1xk3 h LEU 217 Ca 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xk3 h LEU 217 Cb 0.32 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1xk3 h LEU 217 CO 0.00 0.77 0.37 -0.61 0.09 0.00 0.00 178.44 179.06 1xk3 h GLN 218 N 1.25 1.03 -0.25 1.13 5.75 -1.14 -2.03 115.11 120.85 1xk3 h GLN 218 Ca 0.34 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.61 1xk3 h GLN 218 Cb -0.14 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.21 1xk3 h GLN 218 CO -0.07 0.79 -0.21 1.49 -2.65 0.00 0.00 178.83 178.18 1xk3 h GLU 219 N 1.00 0.44 -0.03 1.69 4.57 -0.65 -1.62 114.58 120.00 1xk3 h GLU 219 Ca 0.25 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 1xk3 h GLU 219 Cb 0.09 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1xk3 h GLU 219 CO -0.04 0.63 -0.56 -0.07 -1.18 0.00 0.00 179.01 177.80 1xk3 h LEU 220 N 0.40 0.09 0.00 1.64 3.38 -0.87 -0.44 115.31 119.51 1xk3 h LEU 220 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xk3 h LEU 220 Cb 0.59 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xk3 h LEU 220 CO 0.04 0.63 -0.37 -0.07 0.09 0.00 0.00 178.44 178.76 1xk3 h LEU 221 N 0.06 0.00 0.00 1.67 3.38 -1.02 -3.39 115.31 116.01 1xk3 h LEU 221 Ca -0.00 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.67 1xk3 h LEU 221 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1xk3 h LEU 221 CO 0.08 0.04 -1.81 0.35 0.09 0.00 0.00 178.44 177.18 1xk3 n THR 222 N -2.42 0.82 -0.50 0.22 -2.24 -0.64 -5.09 114.28 104.43 1xk3 n THR 222 Ca 0.04 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1xk3 n THR 222 Cb 0.47 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1xk3 n THR 222 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91