#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk3 h ARG 5 N 0.00 -0.41 -0.26 4.33 2.43 -2.05 0.54 114.38 118.96 2jk3 h ARG 5 Ca 0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2jk3 h ARG 5 Cb 0.00 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2jk3 h ARG 5 CO 0.00 -0.27 0.13 0.93 -1.51 0.00 0.00 179.97 179.25 2jk3 h GLU 6 N -0.42 0.27 -0.43 0.20 5.08 -2.05 -1.78 114.58 115.44 2jk3 h GLU 6 Ca -0.02 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2jk3 h GLU 6 Cb 0.37 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2jk3 h GLU 6 CO -0.00 0.18 0.17 1.96 -1.00 0.00 0.00 179.01 180.31 2jk3 h GLN 7 N 0.28 0.33 -0.89 2.33 1.08 -1.97 -1.13 115.11 115.15 2jk3 h GLN 7 Ca 0.11 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.38 2jk3 h GLN 7 Cb 0.03 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.31 2jk3 h GLN 7 CO -0.07 0.22 0.54 1.15 -0.95 0.00 0.00 178.83 179.72 2jk3 h THR 8 N 0.34 0.96 -0.21 -0.54 2.02 0.23 0.10 112.91 115.82 2jk3 h THR 8 Ca 0.20 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 2jk3 h THR 8 Cb 0.17 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 2jk3 h THR 8 CO -0.19 0.17 -0.10 0.24 0.37 0.00 0.00 175.52 176.01 2jk3 h MET 9 N 0.92 0.43 -0.45 6.66 2.86 -0.54 -0.82 114.93 123.99 2jk3 h MET 9 Ca 0.41 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.89 2jk3 h MET 9 Cb 0.32 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2jk3 h MET 9 CO -0.22 0.72 0.26 1.49 1.06 0.00 0.00 176.91 180.22 2jk3 h GLU 10 N 0.13 0.51 -0.86 1.72 4.81 -0.75 -0.49 114.58 119.65 2jk3 h GLU 10 Ca 0.05 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.38 2jk3 h GLU 10 Cb 0.59 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 2jk3 h GLU 10 CO 0.03 0.34 0.56 -0.91 -0.73 0.00 0.00 179.01 178.30 2jk3 h ASN 11 N 0.53 0.62 0.26 1.04 4.21 -0.35 0.25 115.58 122.15 2jk3 h ASN 11 Ca 0.18 0.03 -0.23 0.00 1.21 0.00 0.00 56.30 57.50 2jk3 h ASN 11 Cb 0.03 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.15 2jk3 h ASN 11 CO -0.09 0.32 -0.95 0.40 -1.29 0.00 0.00 177.43 175.82 2jk3 h ILE 12 N 0.66 1.38 -0.16 2.81 2.04 -0.11 -1.34 117.51 122.79 2jk3 h ILE 12 Ca 0.43 -2.39 -0.06 0.00 1.00 0.00 0.00 64.86 63.84 2jk3 h ILE 12 Cb 0.70 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2jk3 h ILE 12 CO -0.18 0.72 -0.12 -0.07 0.00 0.00 0.00 178.15 178.50 2jk3 h LEU 13 N 0.27 0.37 -0.25 1.44 3.38 -0.21 0.19 115.31 120.50 2jk3 h LEU 13 Ca -0.09 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.49 2jk3 h LEU 13 Cb 1.59 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.17 2jk3 h LEU 13 CO 0.17 0.75 -0.19 0.50 0.09 0.00 0.00 178.44 179.75 2jk3 h LYS 14 N 0.01 -0.18 -0.85 1.13 3.64 -0.57 -0.67 116.57 119.08 2jk3 h LYS 14 Ca 0.03 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2jk3 h LYS 14 Cb 0.63 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.42 2jk3 h LYS 14 CO 0.03 -0.12 0.51 0.00 -2.27 0.00 0.00 179.45 177.60 2jk3 h ALA 15 N 0.94 1.19 -0.60 5.00 0.00 -1.14 -2.15 119.26 122.49 2jk3 h ALA 15 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2jk3 h ALA 15 Cb 0.40 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2jk3 h ALA 15 CO -0.36 0.20 0.34 0.00 0.00 0.00 0.00 179.25 179.43 2jk3 h ALA 16 N 1.43 0.79 -0.31 0.00 0.00 0.79 -0.98 119.26 120.99 2jk3 h ALA 16 Ca 0.39 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2jk3 h ALA 16 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jk3 h ALA 16 CO -0.21 0.04 0.02 -0.22 0.00 0.00 0.00 179.25 178.88 2jk3 h LYS 17 N 0.66 0.53 0.51 0.00 3.64 -0.93 -1.71 116.57 119.27 2jk3 h LYS 17 Ca 0.26 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2jk3 h LYS 17 Cb 0.11 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2jk3 h LYS 17 CO -0.14 0.66 -0.25 -0.22 -2.27 0.00 0.00 179.45 177.23 2jk3 h LYS 18 N 0.34 -0.66 0.33 1.90 3.64 -0.82 -2.37 116.57 118.93 2jk3 h LYS 18 Ca 0.09 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2jk3 h LYS 18 Cb 0.40 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2jk3 h LYS 18 CO 0.01 -0.41 -0.16 0.87 -2.27 0.00 0.00 179.45 177.49 2jk3 h LYS 19 N -0.75 -0.43 -1.00 1.90 1.79 -1.21 -2.53 116.57 114.34 2jk3 h LYS 19 Ca -0.07 0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.59 2jk3 h LYS 19 Cb 0.56 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 31.21 2jk3 h LYS 19 CO 0.12 -0.20 0.62 0.74 -1.08 0.00 0.00 179.45 179.65 2jk3 h PHE 20 N -0.59 1.07 -0.46 -1.35 0.04 -1.41 -0.89 116.94 113.34 2jk3 h PHE 20 Ca -0.05 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2jk3 h PHE 20 Cb 0.43 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2jk3 h PHE 20 CO -0.02 0.32 0.29 0.78 -0.60 0.00 0.00 178.31 179.08 2jk3 h GLY 21 N 0.84 0.66 1.93 -1.45 0.00 -1.25 1.53 103.07 105.31 2jk3 h GLY 21 Ca 0.54 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 2jk3 h GLY 21 CO -0.32 0.25 -0.24 0.83 0.00 0.00 0.00 176.54 177.06 2jk3 h GLU 22 N 0.62 0.08 0.00 4.80 5.08 -0.74 -3.35 114.58 121.06 2jk3 h GLU 22 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2jk3 h GLU 22 Cb -0.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jk3 h GLU 22 CO -0.03 0.33 0.00 0.54 -1.00 0.00 0.00 179.01 178.84 2jk3 n ARG 23 N -4.22 1.82 -0.27 2.33 1.74 -0.94 -5.10 116.66 112.02 2jk3 n ARG 23 Ca -0.02 -0.14 0.04 0.00 -0.77 0.00 0.00 57.85 56.96 2jk3 n ARG 23 Cb 0.32 -0.52 -0.01 0.00 -1.02 0.00 0.00 32.46 31.23 2jk3 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jk3 n GLY 24 N 0.30 -2.09 0.18 -0.13 0.00 0.52 -3.79 105.19 100.18 2jk3 n GLY 24 Ca 0.00 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 2jk3 n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2jk3 h TYR 25 N -0.25 -0.42 -0.55 1.61 3.20 -1.94 -2.69 116.97 115.93 2jk3 h TYR 25 Ca 0.01 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2jk3 h TYR 25 Cb 0.25 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 2jk3 h TYR 25 CO 0.00 -0.26 -0.33 0.93 -1.64 0.00 0.00 178.16 176.86 2jk3 h GLU 26 N -0.55 -0.01 0.00 1.82 4.39 -1.98 -2.53 114.58 115.72 2jk3 h GLU 26 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jk3 h GLU 26 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2jk3 h GLU 26 CO 0.08 -0.01 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 2jk3 n GLY 27 N -1.15 -1.17 3.84 -3.84 0.00 -1.24 -4.72 105.19 96.92 2jk3 n GLY 27 Ca 0.01 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2jk3 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jk3 s THR 28 N -3.40 4.84 0.04 2.61 2.01 -0.96 -4.95 115.64 115.84 2jk3 s THR 28 Ca 0.02 0.85 0.09 0.00 0.31 0.00 0.00 61.69 62.96 2jk3 s THR 28 Cb 0.08 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2jk3 s THR 28 CO 0.34 0.22 -0.26 -0.94 -0.69 0.00 0.00 174.62 173.28 2jk3 s SER 29 N -1.75 3.17 0.30 3.53 1.04 -1.26 -4.98 113.70 113.75 2jk3 s SER 29 Ca 0.39 -0.58 0.06 0.00 0.48 0.00 0.00 55.95 56.29 2jk3 s SER 29 Cb -0.15 -0.29 0.75 0.00 0.10 0.00 0.00 66.02 66.43 2jk3 s SER 29 CO 0.19 0.26 1.76 0.40 0.98 0.00 0.00 173.24 176.84 2jk3 h ILE 30 N 4.23 0.67 -0.61 -1.02 2.04 -1.99 -1.46 117.51 119.38 2jk3 h ILE 30 Ca -0.46 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.25 2jk3 h ILE 30 Cb 1.14 -0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 37.00 2jk3 h ILE 30 CO 0.44 0.13 -0.39 -0.61 0.00 0.00 0.00 178.15 177.72 2jk3 h GLN 31 N 0.71 -0.18 -0.71 2.37 4.15 -1.95 0.32 115.11 119.82 2jk3 h GLN 31 Ca 0.58 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.02 2jk3 h GLN 31 Cb 0.94 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 2jk3 h GLN 31 CO -0.40 -0.12 0.46 0.93 -1.93 0.00 0.00 178.83 177.76 2jk3 h GLU 32 N -0.19 0.94 -0.15 1.69 5.08 -1.70 0.17 114.58 120.42 2jk3 h GLU 32 Ca 0.21 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2jk3 h GLU 32 Cb 0.56 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jk3 h GLU 32 CO -0.70 0.64 -0.07 0.82 -1.00 0.00 0.00 179.01 178.69 2jk3 h ILE 33 N 0.96 1.31 -0.23 3.13 2.04 -0.99 0.55 117.51 124.29 2jk3 h ILE 33 Ca 0.26 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 65.04 2jk3 h ILE 33 Cb -0.09 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 2jk3 h ILE 33 CO -0.05 0.33 -0.40 0.00 0.00 0.00 0.00 178.15 178.02 2jk3 h ALA 34 N 0.67 -0.70 -0.72 1.87 0.00 -0.17 0.18 119.26 120.39 2jk3 h ALA 34 Ca 0.03 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2jk3 h ALA 34 Cb 0.54 0.97 -0.12 0.00 0.00 0.00 0.00 17.79 19.18 2jk3 h ALA 34 CO 0.02 -0.87 0.03 -0.22 0.00 0.00 0.00 179.25 178.21 2jk3 h LYS 35 N -0.34 0.13 -0.33 0.00 3.64 -0.57 -0.29 116.57 118.81 2jk3 h LYS 35 Ca 0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jk3 h LYS 35 Cb 0.46 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2jk3 h LYS 35 CO -0.39 0.08 0.14 1.49 -2.27 0.00 0.00 179.45 178.50 2jk3 h GLU 36 N 0.13 0.48 0.00 1.90 4.57 0.13 -1.64 114.58 120.15 2jk3 h GLU 36 Ca 0.39 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2jk3 h GLU 36 Cb 0.68 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2jk3 h GLU 36 CO -0.61 0.47 0.00 0.00 -1.18 0.00 0.00 179.01 177.69 2jk3 n ALA 37 N -2.27 1.94 -3.22 2.92 0.00 0.51 -4.91 120.51 115.47 2jk3 n ALA 37 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 2jk3 n ALA 37 Cb 0.13 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.34 2jk3 n ALA 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jk3 n LYS 38 N -1.40 -3.56 -4.22 0.00 5.02 -0.21 -4.90 118.16 108.89 2jk3 n LYS 38 Ca 0.07 0.81 -0.15 0.00 -2.02 0.00 0.00 58.31 57.02 2jk3 n LYS 38 Cb 0.19 -5.61 -0.09 0.00 -0.02 0.00 0.00 35.03 29.49 2jk3 n LYS 38 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2jk3 s VAL 39 N -3.36 0.00 0.55 -0.18 -7.23 -0.67 -5.02 120.40 104.48 2jk3 s VAL 39 Ca 0.28 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.30 2jk3 s VAL 39 Cb -0.04 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 2jk3 s VAL 39 CO 0.69 0.00 1.08 0.21 -0.31 0.00 0.00 175.10 176.77 2jk3 s ASN 40 N -3.24 5.89 0.29 4.85 2.47 -1.26 -3.93 114.94 120.00 2jk3 s ASN 40 Ca 0.39 1.98 0.03 0.00 0.42 0.00 0.00 52.86 55.68 2jk3 s ASN 40 Cb 0.05 -2.56 0.72 0.00 -1.45 0.00 0.00 41.25 38.00 2jk3 s ASN 40 CO 0.19 -1.09 1.67 0.58 -3.72 0.00 0.00 177.10 174.72 2jk3 h VAL 41 N 1.02 0.38 -0.20 -5.21 2.07 -1.90 -2.82 116.25 109.58 2jk3 h VAL 41 Ca -0.49 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2jk3 h VAL 41 Cb 1.23 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2jk3 h VAL 41 CO 0.57 0.05 0.12 0.00 0.02 0.00 0.00 177.57 178.34 2jk3 h ALA 42 N 1.75 0.25 -0.34 1.67 0.00 -1.98 -1.59 119.26 119.02 2jk3 h ALA 42 Ca 0.55 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.46 2jk3 h ALA 42 Cb 1.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2jk3 h ALA 42 CO -0.60 -0.25 0.15 1.98 0.00 0.00 0.00 179.25 180.53 2jk3 h MET 43 N 0.25 0.30 0.00 0.00 -1.53 -1.89 0.43 114.93 112.49 2jk3 h MET 43 Ca 0.07 -0.02 -0.10 0.00 -3.44 0.00 0.00 59.70 56.21 2jk3 h MET 43 Cb 0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 30.98 2jk3 h MET 43 CO -0.01 0.20 -0.50 0.00 0.14 0.00 0.00 176.91 176.74 2jk3 h ALA 44 N 1.19 1.15 0.00 0.39 0.00 -1.45 -1.39 119.26 119.15 2jk3 h ALA 44 Ca 0.15 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 2jk3 h ALA 44 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2jk3 h ALA 44 CO -0.13 0.62 -0.85 1.03 0.00 0.00 0.00 179.25 179.93 2jk3 h SER 45 N 0.00 0.00 -0.11 0.00 0.87 -0.77 -3.03 113.55 110.50 2jk3 h SER 45 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2jk3 h SER 45 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2jk3 h SER 45 CO 0.06 0.85 -0.22 0.22 -0.53 0.00 0.00 176.83 177.21 2jk3 h TYR 46 N 0.00 0.44 -0.14 2.24 3.20 -0.77 0.10 116.97 122.04 2jk3 h TYR 46 Ca -0.01 -0.16 -0.11 0.00 3.14 0.00 0.00 58.73 61.59 2jk3 h TYR 46 Cb 1.60 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 2jk3 h TYR 46 CO 0.00 0.83 -0.41 1.88 -1.64 0.00 0.00 178.16 178.82 2jk3 h TYR 47 N -0.08 0.38 0.00 -3.82 0.05 -1.32 -3.29 116.97 108.90 2jk3 h TYR 47 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2jk3 h TYR 47 Cb 0.80 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.46 2jk3 h TYR 47 CO 0.10 0.69 -0.00 1.19 -1.05 0.00 0.00 178.16 179.09 2jk3 n PHE 48 N -4.02 0.00 -3.74 4.88 3.72 -1.15 -5.05 117.46 112.10 2jk3 n PHE 48 Ca -0.02 -0.40 -0.28 0.00 -0.05 0.00 0.00 57.45 56.70 2jk3 n PHE 48 Cb 0.49 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 2jk3 n PHE 48 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jk3 n ASN 49 N -0.40 -4.96 0.00 4.37 5.15 0.34 -3.80 115.26 115.96 2jk3 n ASN 49 Ca 0.00 -0.79 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 2jk3 n ASN 49 Cb 0.30 -1.62 0.00 0.00 -0.53 0.00 0.00 39.78 37.93 2jk3 n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jk3 n GLY 50 N -1.31 -0.14 0.18 8.20 0.00 -1.12 -4.44 105.19 106.55 2jk3 n GLY 50 Ca -0.27 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 2jk3 n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jk3 h LYS 51 N 0.00 -0.35 -0.25 1.61 3.64 -1.95 -1.71 116.57 117.56 2jk3 h LYS 51 Ca 0.00 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2jk3 h LYS 51 Cb 0.00 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2jk3 h LYS 51 CO 0.00 -0.13 0.14 1.49 -2.27 0.00 0.00 179.45 178.68 2jk3 h GLU 52 N -0.51 0.28 -0.76 1.90 4.81 -1.93 0.42 114.58 118.80 2jk3 h GLU 52 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2jk3 h GLU 52 Cb 0.38 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2jk3 h GLU 52 CO 0.06 0.19 0.42 -0.97 -0.73 0.00 0.00 179.01 177.98 2jk3 h ASN 53 N 0.29 0.94 -0.46 1.04 -1.24 -1.77 -0.77 115.58 113.62 2jk3 h ASN 53 Ca 0.10 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2jk3 h ASN 53 Cb 0.00 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.79 2jk3 h ASN 53 CO -0.05 0.76 0.25 0.25 -1.29 0.00 0.00 177.43 177.35 2jk3 h LEU 54 N 1.05 0.61 -0.18 0.34 5.85 -0.56 0.16 115.31 122.58 2jk3 h LEU 54 Ca 0.27 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2jk3 h LEU 54 Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2jk3 h LEU 54 CO -0.04 0.51 0.07 0.22 -0.34 0.00 0.00 178.44 178.85 2jk3 h TYR 55 N 0.69 0.28 -0.45 1.25 3.20 0.12 -2.40 116.97 119.65 2jk3 h TYR 55 Ca 0.17 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 2jk3 h TYR 55 Cb 0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2jk3 h TYR 55 CO 0.00 0.34 -0.25 1.88 -1.64 0.00 0.00 178.16 178.50 2jk3 h TYR 56 N 0.13 1.10 -0.77 -3.82 0.05 -0.58 -2.43 116.97 110.66 2jk3 h TYR 56 Ca 0.06 -0.28 0.18 0.00 0.05 0.00 0.00 58.73 58.74 2jk3 h TYR 56 Cb 0.18 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 2jk3 h TYR 56 CO -0.01 1.09 0.52 0.93 -1.05 0.00 0.00 178.16 179.64 2jk3 h GLU 57 N 0.82 0.28 -0.68 4.88 4.39 -0.61 0.27 114.58 123.93 2jk3 h GLU 57 Ca 0.10 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2jk3 h GLU 57 Cb 0.82 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2jk3 h GLU 57 CO 0.07 0.19 0.11 0.28 -1.16 0.00 0.00 179.01 178.50 2jk3 h VAL 58 N 0.29 1.26 -0.31 3.13 2.07 -0.91 0.33 116.25 122.11 2jk3 h VAL 58 Ca 0.38 -1.04 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 2jk3 h VAL 58 Cb 1.05 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2jk3 h VAL 58 CO -0.10 0.39 -0.36 -0.26 0.02 0.00 0.00 177.57 177.26 2jk3 h PHE 59 N 1.05 0.96 -0.62 1.57 0.04 -0.59 0.26 116.94 119.60 2jk3 h PHE 59 Ca 0.21 -0.30 0.06 0.00 2.80 0.00 0.00 57.97 60.74 2jk3 h PHE 59 Cb 0.44 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 2jk3 h PHE 59 CO 0.03 1.09 0.32 -0.22 -0.60 0.00 0.00 178.31 178.94 2jk3 h LYS 60 N 0.56 0.58 0.02 1.51 3.64 -0.36 0.38 116.57 122.90 2jk3 h LYS 60 Ca 0.04 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jk3 h LYS 60 Cb 0.95 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2jk3 h LYS 60 CO 0.09 0.39 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.42 2jk3 h LYS 61 N 0.60 -0.02 -0.02 1.90 1.63 -0.23 -3.38 116.57 117.05 2jk3 h LYS 61 Ca 0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 2jk3 h LYS 61 Cb 0.21 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2jk3 h LYS 61 CO -0.20 0.69 -0.19 0.66 -3.45 0.00 0.00 179.45 176.96 2jk3 n TYR 62 N -4.75 0.00 -0.48 1.91 4.01 0.89 -4.99 117.16 113.75 2jk3 n TYR 62 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2jk3 n TYR 62 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 2jk3 n TYR 62 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jk3 n GLY 63 N 1.19 -1.42 0.01 2.72 0.00 0.13 -4.96 105.19 102.86 2jk3 n GLY 63 Ca 0.10 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.66 2jk3 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jk3 n LEU 64 N 0.00 0.52 -0.33 0.99 7.99 -1.21 -4.73 117.00 120.23 2jk3 n LEU 64 Ca 0.00 0.05 0.15 0.00 -0.01 0.00 0.00 56.01 56.20 2jk3 n LEU 64 Cb 0.00 -0.24 0.34 0.00 -0.11 0.00 0.00 43.42 43.41 2jk3 n LEU 64 CO 0.00 0.09 1.11 0.00 -1.51 0.00 0.00 177.39 177.08 2jk3 h ALA 65 N 2.91 1.61 0.00 -1.18 0.00 -1.86 -0.81 119.26 119.93 2jk3 h ALA 65 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jk3 h ALA 65 Cb 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2jk3 h ALA 65 CO 0.00 -0.28 -0.32 0.09 0.00 0.00 0.00 179.25 178.73 2jk3 n ASN 66 N -4.95 1.89 0.00 0.00 3.02 -1.26 -4.76 115.26 109.20 2jk3 n ASN 66 Ca 0.24 -3.46 -0.09 0.00 -0.03 0.00 0.00 54.58 51.25 2jk3 n ASN 66 Cb 0.69 -0.47 -0.13 0.00 -0.61 0.00 0.00 39.78 39.25 2jk3 n ASN 66 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2jk3 h GLU 67 N 0.58 0.01 -5.60 3.52 4.39 -1.44 -3.47 114.58 112.57 2jk3 h GLU 67 Ca -0.01 -0.02 -0.59 0.00 0.34 0.00 0.00 59.36 59.08 2jk3 h GLU 67 Cb 1.05 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.61 2jk3 h GLU 67 CO 0.00 0.67 -0.27 -0.51 -1.16 0.00 0.00 179.01 177.74 2jk3 s LEU 68 N -6.31 4.27 0.00 1.33 1.43 -1.26 -5.09 118.68 113.05 2jk3 s LEU 68 Ca -0.04 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2jk3 s LEU 68 Cb 0.08 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2jk3 s LEU 68 CO 0.82 0.09 0.00 -0.81 0.23 0.00 0.00 176.35 176.69 2jk3 n PRO 69 N 3.46 -0.02 -3.24 1.29 -0.04 -1.26 -5.00 135.00 130.19 2jk3 n PRO 69 Ca -0.11 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.90 2jk3 n PRO 69 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 2jk3 n PRO 69 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2jk3 s ASN 70 N -1.03 6.18 0.24 3.54 3.84 -1.26 -4.93 114.94 121.52 2jk3 s ASN 70 Ca 0.00 -1.54 -0.05 0.00 0.21 0.00 0.00 52.86 51.48 2jk3 s ASN 70 Cb 0.00 -2.25 0.25 0.00 -0.55 0.00 0.00 41.25 38.70 2jk3 s ASN 70 CO 0.00 -0.93 1.76 -0.26 -2.79 0.00 0.00 177.10 174.88 2jk3 h PHE 71 N 8.99 1.02 0.62 0.43 0.04 -1.95 0.18 116.94 126.28 2jk3 h PHE 71 Ca -0.29 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.34 2jk3 h PHE 71 Cb 1.10 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 2jk3 h PHE 71 CO 0.76 0.85 -0.42 -0.07 -0.60 0.00 0.00 178.31 178.83 2jk3 h LEU 72 N 0.93 -1.08 -0.62 1.54 3.38 -1.92 -0.80 115.31 116.74 2jk3 h LEU 72 Ca 0.19 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.36 2jk3 h LEU 72 Cb 0.36 0.33 -0.12 0.00 0.09 0.00 0.00 40.66 41.32 2jk3 h LEU 72 CO 0.00 -0.63 -0.17 -0.08 0.09 0.00 0.00 178.44 177.65 2jk3 h GLU 73 N -1.00 -0.02 0.00 1.13 4.57 -1.91 0.41 114.58 117.76 2jk3 h GLU 73 Ca -0.08 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2jk3 h GLU 73 Cb 0.82 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2jk3 h GLU 73 CO 0.05 -0.01 -0.01 -0.22 -1.18 0.00 0.00 179.01 177.64 2jk3 h LYS 74 N -0.02 0.00 -0.28 1.92 3.64 -0.19 -2.76 116.57 118.89 2jk3 h LYS 74 Ca 0.29 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 2jk3 h LYS 74 Cb 0.47 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 2jk3 h LYS 74 CO -0.65 0.01 -0.07 0.09 -2.27 0.00 0.00 179.45 176.56 2jk3 n ASN 75 N -3.12 2.82 -2.78 4.20 3.02 -0.29 -4.95 115.26 114.15 2jk3 n ASN 75 Ca -0.01 -3.51 -0.19 0.00 -0.03 0.00 0.00 54.58 50.84 2jk3 n ASN 75 Cb 0.21 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2jk3 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jk3 n GLN 76 N -0.98 -3.02 -1.82 3.52 1.13 -1.01 -1.55 117.38 113.64 2jk3 n GLN 76 Ca 0.28 0.71 -0.21 0.00 -1.94 0.00 0.00 57.00 55.84 2jk3 n GLN 76 Cb 0.95 -5.41 -0.07 0.00 0.11 0.00 0.00 30.24 25.82 2jk3 n GLN 76 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2jk3 n PHE 77 N -3.89 -0.28 -2.54 1.08 3.72 -0.02 -4.94 117.46 110.59 2jk3 n PHE 77 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 2jk3 n PHE 77 Cb 0.61 -3.61 -0.03 0.00 -0.94 0.00 0.00 39.48 35.51 2jk3 n PHE 77 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2jk3 s ASN 78 N -2.57 6.31 0.54 4.37 3.84 -0.60 -4.93 114.94 121.90 2jk3 s ASN 78 Ca 0.00 -0.01 0.26 0.00 0.21 0.00 0.00 52.86 53.32 2jk3 s ASN 78 Cb 0.00 -2.55 1.53 0.00 -0.55 0.00 0.00 41.25 39.68 2jk3 s ASN 78 CO 0.00 -1.62 2.14 -0.65 -2.79 0.00 0.00 177.10 174.18 2jk3 h PRO 79 N 9.96 0.00 0.01 0.43 0.11 -1.92 -0.88 132.00 139.70 2jk3 h PRO 79 Ca -0.26 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.73 2jk3 h PRO 79 Cb 1.06 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.18 2jk3 h PRO 79 CO 1.21 0.08 -0.47 0.82 -0.21 0.00 0.00 178.00 179.43 2jk3 h ILE 80 N 0.00 1.48 -0.76 4.15 2.04 -1.95 0.37 117.51 122.84 2jk3 h ILE 80 Ca -0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.80 2jk3 h ILE 80 Cb 0.19 2.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 2jk3 h ILE 80 CO 0.01 0.58 0.48 0.78 0.00 0.00 0.00 178.15 180.00 2jk3 h ASN 81 N -0.28 0.90 -0.36 1.72 2.35 -1.88 0.12 115.58 118.15 2jk3 h ASN 81 Ca -0.06 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2jk3 h ASN 81 Cb 1.21 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 2jk3 h ASN 81 CO 0.09 0.68 0.22 0.00 -1.65 0.00 0.00 177.43 176.77 2jk3 h ALA 82 N 1.26 0.45 -0.22 -0.83 0.00 -1.09 -0.70 119.26 118.13 2jk3 h ALA 82 Ca 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2jk3 h ALA 82 Cb -0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2jk3 h ALA 82 CO -0.05 -0.11 -0.29 1.25 0.00 0.00 0.00 179.25 180.05 2jk3 h LEU 83 N 0.45 0.64 -1.11 0.00 5.85 -0.60 -0.19 115.31 120.35 2jk3 h LEU 83 Ca 0.14 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.44 2jk3 h LEU 83 Cb -0.03 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2jk3 h LEU 83 CO -0.05 1.01 0.61 -0.09 -0.34 0.00 0.00 178.44 179.58 2jk3 h ARG 84 N 0.28 1.00 -0.05 1.25 2.43 -0.62 -0.27 114.38 118.39 2jk3 h ARG 84 Ca 0.03 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 58.89 2jk3 h ARG 84 Cb 0.86 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2jk3 h ARG 84 CO 0.07 0.66 -0.93 1.49 -1.51 0.00 0.00 179.97 179.74 2jk3 h GLU 85 N 1.03 0.68 -0.33 0.20 4.81 -0.64 -2.12 114.58 118.19 2jk3 h GLU 85 Ca 0.42 -0.66 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 2jk3 h GLU 85 Cb 0.29 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2jk3 h GLU 85 CO -0.18 1.26 0.09 -0.92 -0.73 0.00 0.00 179.01 178.53 2jk3 h TYR 86 N 0.41 0.16 -0.21 0.92 3.20 -0.50 -1.37 116.97 119.58 2jk3 h TYR 86 Ca -0.09 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 2jk3 h TYR 86 Cb 1.57 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 2jk3 h TYR 86 CO 0.09 0.05 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.29 2jk3 h LEU 87 N 0.22 0.42 -0.29 2.82 3.38 -1.06 0.12 115.31 120.92 2jk3 h LEU 87 Ca 0.15 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2jk3 h LEU 87 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jk3 h LEU 87 CO -0.18 0.71 -0.71 0.74 0.09 0.00 0.00 178.44 179.09 2jk3 h THR 88 N 0.36 1.31 0.05 0.22 2.02 -1.23 -1.07 112.91 114.57 2jk3 h THR 88 Ca 0.05 -1.97 -0.25 0.00 0.77 0.00 0.00 66.41 65.01 2jk3 h THR 88 Cb 0.71 1.95 0.02 0.00 -1.74 0.00 0.00 68.15 69.09 2jk3 h THR 88 CO 0.05 0.62 -1.00 0.58 0.37 0.00 0.00 175.52 176.14 2jk3 h VAL 89 N 0.47 1.33 0.19 3.16 2.07 -1.06 0.32 116.25 122.71 2jk3 h VAL 89 Ca -0.03 -2.29 0.01 0.00 0.82 0.00 0.00 66.70 65.21 2jk3 h VAL 89 Cb 1.31 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 33.63 2jk3 h VAL 89 CO 0.14 0.69 -0.30 0.15 0.02 0.00 0.00 177.57 178.27 2jk3 h PHE 90 N 0.20 -0.81 -0.19 1.57 -0.00 -0.76 -0.48 116.94 116.47 2jk3 h PHE 90 Ca -0.14 0.01 -0.10 0.00 -0.00 0.00 0.00 57.97 57.75 2jk3 h PHE 90 Cb 1.68 0.33 -0.01 0.00 -0.00 0.00 0.00 35.95 37.95 2jk3 h PHE 90 CO 0.12 -0.42 -0.31 1.79 -0.00 0.00 0.00 178.31 179.50 2jk3 h THR 91 N -0.56 1.28 -0.16 4.41 1.35 -1.20 -2.01 112.91 116.01 2jk3 h THR 91 Ca 0.01 -1.34 -0.12 0.00 -0.55 0.00 0.00 66.41 64.41 2jk3 h THR 91 Cb 0.56 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2jk3 h THR 91 CO -0.13 0.41 -0.44 0.74 -0.25 0.00 0.00 175.52 175.85 2jk3 h THR 92 N 0.34 1.32 -0.47 6.82 2.02 -0.82 0.13 112.91 122.25 2jk3 h THR 92 Ca 0.04 -1.62 -0.14 0.00 0.77 0.00 0.00 66.41 65.47 2jk3 h THR 92 Cb 0.71 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 2jk3 h THR 92 CO 0.05 0.49 -0.24 -0.74 0.37 0.00 0.00 175.52 175.46 2jk3 h HIS 93 N 0.31 1.13 0.19 3.16 6.17 -0.40 -1.99 115.15 123.72 2jk3 h HIS 93 Ca 0.02 -0.28 -0.01 0.00 0.71 0.00 0.00 60.37 60.81 2jk3 h HIS 93 Cb 0.90 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.58 2jk3 h HIS 93 CO 0.03 1.11 -0.09 0.82 0.71 0.00 0.00 177.93 180.50 2jk3 h ILE 94 N 0.84 0.92 -0.85 6.26 2.04 -1.30 -2.16 117.51 123.26 2jk3 h ILE 94 Ca 0.10 -0.72 0.25 0.00 1.00 0.00 0.00 64.86 65.49 2jk3 h ILE 94 Cb 0.82 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2jk3 h ILE 94 CO 0.07 0.16 0.93 0.50 0.00 0.00 0.00 178.15 179.81 2jk3 h LYS 95 N -0.62 0.00 0.00 2.37 3.64 -0.66 0.34 116.57 121.64 2jk3 h LYS 95 Ca -0.03 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 2jk3 h LYS 95 Cb 0.45 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2jk3 h LYS 95 CO 0.04 0.00 -1.36 0.39 -2.27 0.00 0.00 179.45 176.26 2jk3 n GLU 96 N -3.47 0.62 -3.41 1.90 1.02 -0.76 -4.44 120.64 112.11 2jk3 n GLU 96 Ca 0.18 0.22 -0.26 0.00 -0.02 0.00 0.00 57.16 57.28 2jk3 n GLU 96 Cb 1.20 -1.81 -0.09 0.00 -0.02 0.00 0.00 31.44 30.72 2jk3 n GLU 96 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jk3 n ASN 97 N -2.87 0.94 0.21 1.62 3.02 0.11 -5.01 115.26 113.29 2jk3 n ASN 97 Ca -0.08 -2.78 0.10 0.00 -0.03 0.00 0.00 54.58 51.79 2jk3 n ASN 97 Cb 0.81 -0.63 0.37 0.00 -0.61 0.00 0.00 39.78 39.72 2jk3 n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2jk3 h PRO 98 N 4.82 0.00 -0.10 3.52 0.13 -1.54 -2.65 132.00 136.17 2jk3 h PRO 98 Ca 0.17 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.33 2jk3 h PRO 98 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2jk3 h PRO 98 CO 0.53 0.22 0.10 0.93 -0.23 0.00 0.00 178.00 179.55 2jk3 h GLU 99 N 0.00 0.00 -0.55 0.86 3.07 -1.89 -0.73 114.58 115.35 2jk3 h GLU 99 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2jk3 h GLU 99 Cb 0.87 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 2jk3 h GLU 99 CO 0.03 0.00 0.03 0.82 -1.40 0.00 0.00 179.01 178.49 2jk3 h ILE 100 N 0.00 1.26 -0.02 3.13 1.08 -1.82 0.32 117.51 121.46 2jk3 h ILE 100 Ca 0.05 -1.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.42 2jk3 h ILE 100 Cb 0.25 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2jk3 h ILE 100 CO -0.00 0.38 -0.13 1.23 -0.69 0.00 0.00 178.15 178.94 2jk3 h GLY 101 N 0.83 0.13 0.93 5.37 0.00 -1.53 -1.00 103.07 107.80 2jk3 h GLY 101 Ca 0.16 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2jk3 h GLY 101 CO 0.02 0.18 0.23 -0.91 0.00 0.00 0.00 176.54 176.05 2jk3 h THR 102 N -0.52 1.05 -0.12 4.70 1.35 -1.05 0.12 112.91 118.44 2jk3 h THR 102 Ca -0.01 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.64 2jk3 h THR 102 Cb 0.83 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2jk3 h THR 102 CO 0.03 0.08 -0.13 -0.07 -0.25 0.00 0.00 175.52 175.18 2jk3 h LEU 103 N 0.46 0.32 -0.67 3.87 3.38 -0.48 -2.46 115.31 119.74 2jk3 h LEU 103 Ca 0.15 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2jk3 h LEU 103 Cb -0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2jk3 h LEU 103 CO -0.06 0.75 0.43 0.00 0.09 0.00 0.00 178.44 179.65 2jk3 h ALA 104 N 0.58 0.85 -0.54 1.53 0.00 -0.98 -1.52 119.26 119.18 2jk3 h ALA 104 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2jk3 h ALA 104 Cb 0.66 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2jk3 h ALA 104 CO 0.03 0.29 0.18 -0.92 0.00 0.00 0.00 179.25 178.83 2jk3 h TYR 105 N 0.91 0.81 0.32 0.00 3.20 -0.75 -0.23 116.97 121.23 2jk3 h TYR 105 Ca 0.24 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2jk3 h TYR 105 Cb -0.09 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.94 2jk3 h TYR 105 CO -0.02 0.66 -0.15 1.49 -1.64 0.00 0.00 178.16 178.49 2jk3 h GLU 106 N 0.79 -0.41 -0.61 1.82 4.81 -1.04 0.33 114.58 120.27 2jk3 h GLU 106 Ca 0.18 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2jk3 h GLU 106 Cb 0.22 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2jk3 h GLU 106 CO -0.01 -0.20 0.40 0.93 -0.73 0.00 0.00 179.01 179.40 2jk3 h GLU 107 N -0.54 0.74 0.23 1.92 4.39 -0.90 -1.18 114.58 119.23 2jk3 h GLU 107 Ca -0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2jk3 h GLU 107 Cb 0.40 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2jk3 h GLU 107 CO 0.07 0.49 -0.11 0.82 -1.16 0.00 0.00 179.01 179.12 2jk3 h ILE 108 N 0.76 0.82 0.00 3.13 2.04 -0.86 0.19 117.51 123.59 2jk3 h ILE 108 Ca 0.23 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 2jk3 h ILE 108 Cb 0.01 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2jk3 h ILE 108 CO -0.06 0.15 -0.09 0.16 0.00 0.00 0.00 178.15 178.31 2jk3 h ILE 109 N -0.70 0.27 -0.01 -0.67 3.07 -0.61 -1.02 117.51 117.84 2jk3 h ILE 109 Ca -0.03 -0.63 0.00 0.00 1.55 0.00 0.00 64.86 65.75 2jk3 h ILE 109 Cb 0.48 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 2jk3 h ILE 109 CO 0.05 0.09 -0.36 0.29 -1.05 0.00 0.00 178.15 177.17 2jk3 n LYS 110 N -3.29 0.88 -4.16 0.16 5.02 -0.48 -4.96 118.16 111.34 2jk3 n LYS 110 Ca -0.00 -0.60 -0.29 0.00 -2.02 0.00 0.00 58.31 55.40 2jk3 n LYS 110 Cb 0.30 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 2jk3 n LYS 110 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jk3 n GLU 111 N -0.53 -1.95 -1.15 1.97 2.13 0.54 -4.89 120.64 116.75 2jk3 n GLU 111 Ca 0.11 0.23 -0.29 0.00 0.66 0.00 0.00 57.16 57.87 2jk3 n GLU 111 Cb 0.38 -3.98 0.18 0.00 0.27 0.00 0.00 31.44 28.29 2jk3 n GLU 111 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2jk3 s SER 112 N -4.37 2.52 0.51 4.31 1.04 -0.37 -4.93 113.70 112.41 2jk3 s SER 112 Ca 0.01 1.18 0.28 0.00 0.48 0.00 0.00 55.95 57.90 2jk3 s SER 112 Cb -0.00 -1.84 1.32 0.00 0.10 0.00 0.00 66.02 65.59 2jk3 s SER 112 CO 0.95 -3.20 1.99 0.00 0.98 0.00 0.00 173.24 173.97 2jk3 h ALA 113 N -1.94 1.12 0.00 5.32 0.00 -1.91 -2.68 119.26 119.17 2jk3 h ALA 113 Ca -0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2jk3 h ALA 113 Cb 1.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jk3 h ALA 113 CO 0.58 0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.95 2jk3 h ARG 114 N 0.00 0.00 -0.51 0.00 3.08 -1.94 -3.32 114.38 111.70 2jk3 h ARG 114 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2jk3 h ARG 114 Cb 0.49 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 2jk3 h ARG 114 CO 0.02 0.03 0.19 1.25 -1.07 0.00 0.00 179.97 180.39 2jk3 h LEU 115 N 0.00 0.21 -1.06 3.04 5.85 -1.77 -2.30 115.31 119.27 2jk3 h LEU 115 Ca -0.00 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.90 2jk3 h LEU 115 Cb 0.71 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 2jk3 h LEU 115 CO 0.00 0.15 0.62 -0.08 -0.34 0.00 0.00 178.44 178.79 2jk3 h GLU 116 N 0.37 0.92 -0.01 1.25 4.81 -1.77 0.24 114.58 120.40 2jk3 h GLU 116 Ca 0.24 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2jk3 h GLU 116 Cb 0.25 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2jk3 h GLU 116 CO -0.24 0.61 -0.33 1.63 -0.73 0.00 0.00 179.01 179.95 2jk3 n LYS 117 N -4.61 0.70 0.01 1.92 5.02 -0.92 -3.85 118.16 116.43 2jk3 n LYS 117 Ca 0.19 -0.43 -0.19 0.00 -2.02 0.00 0.00 58.31 55.86 2jk3 n LYS 117 Cb 0.37 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.75 2jk3 n LYS 117 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2jk3 h ILE 118 N 1.05 0.74 -0.90 -0.18 2.04 -0.76 -3.41 117.51 116.09 2jk3 h ILE 118 Ca 0.00 -2.46 0.19 0.00 1.00 0.00 0.00 64.86 63.58 2jk3 h ILE 118 Cb 0.52 2.54 -0.11 0.00 -0.74 0.00 0.00 36.82 39.03 2jk3 h ILE 118 CO 0.00 0.81 0.47 0.50 0.00 0.00 0.00 178.15 179.93 2jk3 h LYS 119 N 0.06 0.55 0.00 2.37 3.64 -1.10 -0.02 116.57 122.08 2jk3 h LYS 119 Ca -0.38 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2jk3 h LYS 119 Cb 2.04 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2jk3 h LYS 119 CO 0.10 0.37 0.11 -2.30 -2.27 0.00 0.00 179.45 175.45 2jk3 n PRO 120 N -4.91 0.12 -0.07 1.90 -0.02 -1.26 0.10 135.00 130.86 2jk3 n PRO 120 Ca 0.21 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.42 2jk3 n PRO 120 Cb 0.56 -2.01 0.36 0.00 -0.02 0.00 0.00 33.50 32.39 2jk3 n PRO 120 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jk3 n TYR 121 N -2.19 0.20 -0.00 6.00 4.01 -0.02 -3.75 117.16 121.40 2jk3 n TYR 121 Ca -0.01 -0.10 0.01 0.00 -0.16 0.00 0.00 57.90 57.64 2jk3 n TYR 121 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 2jk3 n TYR 121 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2jk3 n PHE 122 N 0.53 0.00 -0.22 -0.72 3.72 0.12 -3.05 117.46 117.83 2jk3 n PHE 122 Ca 0.17 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.52 2jk3 n PHE 122 Cb 0.39 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 38.95 2jk3 n PHE 122 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2jk3 h ILE 123 N 0.00 1.10 -0.54 4.37 2.04 -1.50 -2.36 117.51 120.61 2jk3 h ILE 123 Ca -0.00 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 2jk3 h ILE 123 Cb 0.17 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2jk3 h ILE 123 CO 0.00 0.14 0.17 1.23 0.00 0.00 0.00 178.15 179.69 2jk3 h GLY 124 N 0.78 0.87 1.34 5.37 0.00 -1.89 -1.34 103.07 108.21 2jk3 h GLY 124 Ca 0.25 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 2jk3 h GLY 124 CO -0.09 0.45 -0.11 1.48 0.00 0.00 0.00 176.54 178.27 2jk3 h SER 125 N 0.79 0.77 -0.27 0.19 4.64 -1.78 -1.55 113.55 116.34 2jk3 h SER 125 Ca 0.18 -0.23 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 2jk3 h SER 125 Cb 0.24 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2jk3 h SER 125 CO -0.01 0.91 -0.20 -0.26 -0.87 0.00 0.00 176.83 176.40 2jk3 h PHE 126 N 0.71 0.82 0.00 4.77 0.04 -0.99 -1.97 116.94 120.32 2jk3 h PHE 126 Ca 0.12 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2jk3 h PHE 126 Cb 0.59 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2jk3 h PHE 126 CO 0.03 0.87 0.00 1.05 -0.60 0.00 0.00 178.31 179.66 2jk3 h GLU 127 N 0.64 0.00 -0.03 1.51 4.11 -1.00 -1.29 114.58 118.52 2jk3 h GLU 127 Ca 0.10 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.33 2jk3 h GLU 127 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 2jk3 h GLU 127 CO 0.05 0.00 -0.76 0.37 0.07 0.00 0.00 179.01 178.74 2jk3 h GLN 128 N 0.00 0.57 -0.75 1.06 4.15 -1.09 -2.67 115.11 116.37 2jk3 h GLN 128 Ca 0.00 -0.57 0.16 0.00 0.77 0.00 0.00 58.65 59.02 2jk3 h GLN 128 Cb 0.92 0.15 -0.11 0.00 0.21 0.00 0.00 27.48 28.65 2jk3 h GLN 128 CO 0.00 1.19 0.18 1.25 -1.93 0.00 0.00 178.83 179.52 2jk3 h LEU 129 N 0.16 0.02 -0.61 -2.39 5.85 -1.11 -1.46 115.31 115.78 2jk3 h LEU 129 Ca -0.09 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2jk3 h LEU 129 Cb 1.43 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 2jk3 h LEU 129 CO 0.15 -0.04 0.32 0.50 -0.34 0.00 0.00 178.44 179.03 2jk3 h LYS 130 N 0.27 0.86 -0.66 1.25 3.64 -1.15 -1.34 116.57 119.44 2jk3 h LYS 130 Ca 0.42 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 2jk3 h LYS 130 Cb 0.73 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2jk3 h LYS 130 CO -0.52 0.66 0.16 0.93 -2.27 0.00 0.00 179.45 178.42 2jk3 h GLU 131 N 0.83 1.05 -0.16 1.90 5.08 -1.04 0.62 114.58 122.86 2jk3 h GLU 131 Ca 0.21 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2jk3 h GLU 131 Cb 0.06 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2jk3 h GLU 131 CO -0.03 0.92 -0.13 0.82 -1.00 0.00 0.00 179.01 179.59 2jk3 h ILE 132 N 1.00 1.33 -0.81 3.13 2.04 -1.07 -0.69 117.51 122.43 2jk3 h ILE 132 Ca 0.21 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.87 2jk3 h ILE 132 Cb 0.35 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 2jk3 h ILE 132 CO 0.00 0.37 0.50 -0.07 0.00 0.00 0.00 178.15 178.95 2jk3 h LEU 133 N 0.02 0.77 -0.67 1.44 3.38 -1.07 -1.85 115.31 117.34 2jk3 h LEU 133 Ca 0.03 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2jk3 h LEU 133 Cb 0.65 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jk3 h LEU 133 CO 0.03 0.50 -0.42 1.56 0.09 0.00 0.00 178.44 180.20 2jk3 h GLN 134 N 0.91 0.55 -0.01 1.13 4.20 -0.57 -0.41 115.11 120.92 2jk3 h GLN 134 Ca 0.36 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2jk3 h GLN 134 Cb 0.17 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2jk3 h GLN 134 CO -0.17 0.87 0.00 1.49 -0.67 0.00 0.00 178.83 180.35 2jk3 h GLU 135 N 0.45 0.01 -0.72 1.46 4.57 -0.91 -0.49 114.58 118.95 2jk3 h GLU 135 Ca 0.04 -0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.30 2jk3 h GLU 135 Cb 0.92 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.44 2jk3 h GLU 135 CO 0.08 0.23 0.37 0.78 -1.18 0.00 0.00 179.01 179.29 2jk3 h GLY 136 N -0.22 1.09 0.97 1.92 0.00 -1.25 -0.06 103.07 105.53 2jk3 h GLY 136 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2jk3 h GLY 136 CO 0.00 0.08 0.13 -2.09 0.00 0.00 0.00 176.54 174.66 2jk3 h GLU 137 N 0.64 0.29 -0.85 4.80 4.81 -0.83 -0.86 114.58 122.58 2jk3 h GLU 137 Ca 0.35 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.71 2jk3 h GLU 137 Cb 0.35 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.57 2jk3 h GLU 137 CO -0.25 0.24 0.43 -0.22 -0.73 0.00 0.00 179.01 178.47 2jk3 h LYS 138 N 0.27 0.58 -0.04 1.92 3.64 -0.67 -1.71 116.57 120.57 2jk3 h LYS 138 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jk3 h LYS 138 Cb 0.02 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2jk3 h LYS 138 CO -0.01 0.39 0.00 1.04 -2.27 0.00 0.00 179.45 178.59 2jk3 n GLN 139 N -4.89 1.21 -1.10 1.90 6.02 -0.07 -4.88 117.38 115.58 2jk3 n GLN 139 Ca 0.17 -0.32 -0.03 0.00 -0.01 0.00 0.00 57.00 56.81 2jk3 n GLN 139 Cb 0.45 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 2jk3 n GLN 139 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jk3 n GLY 140 N 0.94 0.63 0.06 1.08 0.00 -0.64 -4.93 105.19 102.33 2jk3 n GLY 140 Ca 0.17 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.89 2jk3 n GLY 140 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jk3 n VAL 141 N -2.76 0.30 -4.35 1.61 0.31 -0.38 -4.91 118.33 108.16 2jk3 n VAL 141 Ca -0.03 -0.49 -0.26 0.00 -0.01 0.00 0.00 64.34 63.55 2jk3 n VAL 141 Cb 0.18 -0.12 -0.12 0.00 -0.91 0.00 0.00 33.84 32.87 2jk3 n VAL 141 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2jk3 s PHE 142 N -3.41 2.05 -0.04 3.52 0.08 -1.12 -4.15 117.98 114.92 2jk3 s PHE 142 Ca -0.03 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 2jk3 s PHE 142 Cb 0.12 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.50 2jk3 s PHE 142 CO 0.84 0.30 0.04 -1.01 -0.10 0.00 0.00 175.22 175.30 2jk3 s HIS 143 N -1.26 0.16 0.16 0.36 3.76 0.62 -4.21 115.29 114.89 2jk3 s HIS 143 Ca 0.12 0.15 -0.16 0.00 -0.15 0.00 0.00 55.06 55.02 2jk3 s HIS 143 Cb -0.09 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.15 2jk3 s HIS 143 CO 0.06 -0.18 0.44 -0.59 -0.85 0.00 0.00 174.74 173.61 2jk3 s PHE 144 N 1.79 -0.07 -0.00 1.40 -0.12 -1.26 -4.78 117.98 114.94 2jk3 s PHE 144 Ca 0.00 -0.27 -0.06 0.00 -0.05 0.00 0.00 56.93 56.56 2jk3 s PHE 144 Cb -0.12 0.27 -0.29 0.00 -0.63 0.00 0.00 43.02 42.25 2jk3 s PHE 144 CO -0.03 -0.80 0.85 0.35 -0.05 0.00 0.00 175.22 175.54 2jk3 h PHE 145 N 2.32 0.56 -3.42 3.49 3.57 -2.01 -3.46 116.94 117.99 2jk3 h PHE 145 Ca -0.31 -0.41 -0.43 0.00 3.53 0.00 0.00 57.97 60.35 2jk3 h PHE 145 Cb 1.25 -0.02 -0.35 0.00 2.79 0.00 0.00 35.95 39.63 2jk3 h PHE 145 CO 0.35 1.45 -0.78 0.45 -2.23 0.00 0.00 178.31 177.56 2jk3 s SER 146 N -7.11 1.16 0.19 0.41 0.15 -1.26 -5.04 113.70 102.19 2jk3 s SER 146 Ca -0.10 -0.14 -0.10 0.00 0.70 0.00 0.00 55.95 56.31 2jk3 s SER 146 Cb 0.06 -0.50 0.09 0.00 -1.71 0.00 0.00 66.02 63.97 2jk3 s SER 146 CO 0.86 -0.07 1.70 -0.29 1.20 0.00 0.00 173.24 176.64 2jk3 h ILE 147 N 6.15 1.26 0.26 6.45 6.09 -1.99 -2.21 117.51 133.52 2jk3 h ILE 147 Ca -0.34 -0.96 -0.01 0.00 -1.37 0.00 0.00 64.86 62.17 2jk3 h ILE 147 Cb 1.15 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.06 2jk3 h ILE 147 CO 0.44 0.36 -0.12 0.78 -3.07 0.00 0.00 178.15 176.54 2jk3 h ASN 148 N 0.98 -0.29 -0.87 2.19 2.35 -1.99 0.19 115.58 118.14 2jk3 h ASN 148 Ca 0.20 -0.09 0.12 0.00 -0.55 0.00 0.00 56.30 55.98 2jk3 h ASN 148 Cb 0.38 0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.74 2jk3 h ASN 148 CO 0.00 -0.09 0.49 -0.74 -1.65 0.00 0.00 177.43 175.45 2jk3 h HIS 149 N -0.49 0.87 -0.19 1.19 -0.00 -1.98 -1.08 115.15 113.46 2jk3 h HIS 149 Ca -0.04 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 2jk3 h HIS 149 Cb 0.37 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2jk3 h HIS 149 CO -0.02 0.29 -0.16 1.15 -0.00 0.00 0.00 177.93 179.19 2jk3 h THR 150 N 0.75 1.33 -0.58 6.26 2.02 -0.73 -1.56 112.91 120.40 2jk3 h THR 150 Ca 0.45 -1.30 0.03 0.00 0.77 0.00 0.00 66.41 66.36 2jk3 h THR 150 Cb 0.52 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 2jk3 h THR 150 CO -0.30 0.39 0.34 0.40 0.37 0.00 0.00 175.52 176.72 2jk3 h ILE 151 N 0.12 1.04 -0.32 3.11 2.04 -0.43 -1.19 117.51 121.88 2jk3 h ILE 151 Ca 0.03 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.73 2jk3 h ILE 151 Cb 0.69 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 2jk3 h ILE 151 CO 0.04 0.12 -0.14 -0.74 0.00 0.00 0.00 178.15 177.43 2jk3 h HIS 152 N 0.67 -0.34 0.00 1.37 2.76 -0.83 -0.47 115.15 118.31 2jk3 h HIS 152 Ca 0.24 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.31 2jk3 h HIS 152 Cb 0.06 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 2jk3 h HIS 152 CO -0.07 -0.21 -0.68 0.11 -1.30 0.00 0.00 177.93 175.78 2jk3 h TRP 153 N -0.09 0.00 0.00 5.26 5.08 -1.11 -0.91 115.95 124.18 2jk3 h TRP 153 Ca 0.16 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.13 2jk3 h TRP 153 Cb 0.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 2jk3 h TRP 153 CO -0.35 0.68 -0.00 0.82 -1.28 0.00 0.00 178.44 178.30 2jk3 h ILE 154 N 0.00 1.40 -0.12 0.12 2.04 -1.03 -2.58 117.51 117.34 2jk3 h ILE 154 Ca -0.01 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.56 2jk3 h ILE 154 Cb 1.36 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 2jk3 h ILE 154 CO 0.09 0.31 -0.34 0.71 0.00 0.00 0.00 178.15 178.92 2jk3 h THR 155 N -0.51 1.28 -0.64 -0.27 1.35 -1.10 -1.09 112.91 111.93 2jk3 h THR 155 Ca -0.00 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 2jk3 h THR 155 Cb 0.51 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 2jk3 h THR 155 CO 0.00 0.40 0.40 -1.28 -0.25 0.00 0.00 175.52 174.79 2jk3 h SER 156 N 0.22 0.75 1.09 5.36 0.87 -1.14 -1.10 113.55 119.60 2jk3 h SER 156 Ca 0.03 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 2jk3 h SER 156 Cb 0.70 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2jk3 h SER 156 CO 0.05 0.57 -0.95 0.16 -0.53 0.00 0.00 176.83 176.13 2jk3 h ILE 157 N 0.86 1.08 -0.07 2.23 3.07 -1.22 -3.22 117.51 120.24 2jk3 h ILE 157 Ca 0.23 -2.63 -0.18 0.00 1.55 0.00 0.00 64.86 63.83 2jk3 h ILE 157 Cb -0.06 2.50 -0.01 0.00 -0.27 0.00 0.00 36.82 38.98 2jk3 h ILE 157 CO -0.05 0.62 -0.72 0.58 -1.05 0.00 0.00 178.15 177.53 2jk3 h VAL 158 N 0.00 1.38 -0.01 0.16 2.07 -1.07 -3.00 116.25 115.79 2jk3 h VAL 158 Ca -0.06 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2jk3 h VAL 158 Cb 1.61 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2jk3 h VAL 158 CO 0.08 0.64 -0.02 0.18 0.02 0.00 0.00 177.57 178.47 2jk3 n LEU 159 N -3.83 0.56 -2.91 2.57 4.77 -0.43 -4.15 117.00 113.57 2jk3 n LEU 159 Ca -0.04 -0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 55.59 2jk3 n LEU 159 Cb 0.70 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 2jk3 n LEU 159 CO 0.48 0.09 -0.02 0.33 -1.33 0.00 0.00 177.39 176.94 2jk3 n PHE 160 N -0.64 2.14 -0.35 -1.77 -0.00 -1.13 -4.58 117.46 111.12 2jk3 n PHE 160 Ca 0.20 -3.61 0.16 0.00 -0.00 0.00 0.00 57.45 54.20 2jk3 n PHE 160 Cb 0.22 -0.39 0.37 0.00 -0.00 0.00 0.00 39.48 39.69 2jk3 n PHE 160 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 2jk3 h PRO 161 N 2.93 0.63 0.00 -7.13 0.13 -1.72 -1.33 132.00 125.50 2jk3 h PRO 161 Ca 0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2jk3 h PRO 161 Cb 0.84 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2jk3 h PRO 161 CO 0.66 0.41 0.00 0.87 -0.23 0.00 0.00 178.00 179.71 2jk3 h LYS 162 N 0.64 0.00 -0.05 0.86 1.57 -1.92 -2.85 116.57 114.82 2jk3 h LYS 162 Ca 0.61 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.29 2jk3 h LYS 162 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2jk3 h LYS 162 CO -0.42 0.00 -0.43 0.35 -0.57 0.00 0.00 179.45 178.38 2jk3 h PHE 163 N 0.00 0.13 0.68 -1.35 3.57 -1.62 -2.81 116.94 115.55 2jk3 h PHE 163 Ca 0.00 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2jk3 h PHE 163 Cb 0.43 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2jk3 h PHE 163 CO 0.00 0.53 -0.36 -0.22 -2.23 0.00 0.00 178.31 176.03 2jk3 h LYS 164 N 0.10 -0.92 -0.99 1.11 3.64 -1.64 -1.52 116.57 116.34 2jk3 h LYS 164 Ca 0.01 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2jk3 h LYS 164 Cb 0.80 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 2jk3 h LYS 164 CO 0.06 -0.62 0.65 -0.22 -2.27 0.00 0.00 179.45 177.06 2jk3 h LYS 165 N -0.96 1.27 -0.83 1.90 3.64 -1.70 -0.62 116.57 119.27 2jk3 h LYS 165 Ca -0.09 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2jk3 h LYS 165 Cb 0.75 -0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2jk3 h LYS 165 CO 0.13 0.84 0.55 0.35 -2.27 0.00 0.00 179.45 179.05 2jk3 h PHE 166 N 1.31 0.97 -0.07 1.91 3.57 -1.33 -1.26 116.94 122.04 2jk3 h PHE 166 Ca 0.37 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.83 2jk3 h PHE 166 Cb -0.10 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.31 2jk3 h PHE 166 CO -0.00 0.55 -0.29 0.97 -2.23 0.00 0.00 178.31 177.31 2jk3 h ILE 167 N 0.99 1.24 0.00 1.41 6.09 -0.05 -3.44 117.51 123.75 2jk3 h ILE 167 Ca 0.34 -1.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 2jk3 h ILE 167 Cb 0.10 1.50 0.00 0.00 0.47 0.00 0.00 36.82 38.89 2jk3 h ILE 167 CO -0.11 0.33 0.00 0.47 -3.07 0.00 0.00 178.15 175.77 2jk3 n ASP 168 N -4.16 0.00 0.00 2.19 8.00 -0.53 -5.11 116.55 116.94 2jk3 n ASP 168 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2jk3 n ASP 168 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2jk3 n ASP 168 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jk3 n GLY 169 N 3.42 0.00 0.00 0.44 0.00 -0.86 -5.02 105.19 103.17 2jk3 n GLY 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jk3 n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jk3 n GLY 175 N 0.00 3.02 0.18 -0.02 0.00 -1.26 -4.76 105.19 102.35 2jk3 n GLY 175 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2jk3 n GLY 175 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jk3 h LEU 176 N 0.00 0.50 -0.35 0.99 5.85 -2.03 -1.84 115.31 118.44 2jk3 h LEU 176 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2jk3 h LEU 176 Cb 0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2jk3 h LEU 176 CO 0.00 0.50 0.22 0.58 -0.34 0.00 0.00 178.44 179.41 2jk3 h VAL 177 N 0.47 1.10 0.00 1.05 2.07 -1.98 -0.57 116.25 118.39 2jk3 h VAL 177 Ca 0.13 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 2jk3 h VAL 177 Cb 0.14 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2jk3 h VAL 177 CO -0.01 0.10 -0.51 0.77 0.02 0.00 0.00 177.57 177.93 2jk3 h SER 178 N 0.46 0.00 0.03 0.57 4.64 -1.97 -0.94 113.55 116.35 2jk3 h SER 178 Ca 0.13 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 2jk3 h SER 178 Cb -0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2jk3 h SER 178 CO -0.03 0.51 -0.23 0.03 -0.87 0.00 0.00 176.83 176.25 2jk3 h ARG 179 N 0.00 0.34 -0.15 4.77 3.08 -1.06 0.24 114.38 121.60 2jk3 h ARG 179 Ca -0.01 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 2jk3 h ARG 179 Cb 0.98 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2jk3 h ARG 179 CO 0.07 0.55 -0.47 0.82 -1.07 0.00 0.00 179.97 179.87 2jk3 h ILE 180 N 0.31 1.34 0.15 2.04 2.04 -0.47 -2.14 117.51 120.78 2jk3 h ILE 180 Ca 0.05 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 2jk3 h ILE 180 Cb 0.57 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2jk3 h ILE 180 CO 0.04 0.53 -0.07 0.40 0.00 0.00 0.00 178.15 179.05 2jk3 h ILE 181 N 0.23 0.89 -0.86 -0.67 2.04 -1.06 -1.82 117.51 116.27 2jk3 h ILE 181 Ca -0.02 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.73 2jk3 h ILE 181 Cb 1.09 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 2jk3 h ILE 181 CO 0.10 0.04 0.56 0.77 0.00 0.00 0.00 178.15 179.62 2jk3 h SER 182 N -0.27 0.89 -0.71 1.72 4.64 -0.61 -0.25 113.55 118.96 2jk3 h SER 182 Ca -0.02 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2jk3 h SER 182 Cb 0.21 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 2jk3 h SER 182 CO 0.03 0.59 0.47 0.00 -0.87 0.00 0.00 176.83 177.06 2jk3 h ALA 183 N 1.51 0.90 0.04 5.18 0.00 -1.21 -2.68 119.26 123.00 2jk3 h ALA 183 Ca 0.35 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.96 2jk3 h ALA 183 Cb 0.11 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jk3 h ALA 183 CO -0.12 0.32 -1.06 -0.07 0.00 0.00 0.00 179.25 178.32 2jk3 h LEU 184 N 0.96 0.68 -0.25 0.00 3.38 -0.37 -3.30 115.31 116.41 2jk3 h LEU 184 Ca 0.26 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2jk3 h LEU 184 Cb -0.11 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 2jk3 h LEU 184 CO -0.06 1.39 -0.00 0.71 0.09 0.00 0.00 178.44 180.57 2jk3 h THR 185 N 0.26 0.00 -2.46 0.22 1.35 -1.12 0.18 112.91 111.34 2jk3 h THR 185 Ca -0.12 -0.92 -0.53 0.00 -0.55 0.00 0.00 66.41 64.29 2jk3 h THR 185 Cb 1.71 1.92 0.04 0.00 -1.73 0.00 0.00 68.15 70.09 2jk3 h THR 185 CO 0.19 0.00 1.13 -0.67 -0.25 0.00 0.00 175.52 175.93 2jk3 n ASP 186 N -3.10 4.05 -4.57 5.36 2.03 -1.01 -4.82 116.55 114.49 2jk3 n ASP 186 Ca 0.03 0.97 -0.37 0.00 0.52 0.00 0.00 54.79 55.95 2jk3 n ASP 186 Cb 0.49 -1.54 -0.11 0.00 -0.72 0.00 0.00 41.12 39.25 2jk3 n ASP 186 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2jk3 s LYS 187 N 3.06 3.90 0.38 -0.67 2.20 -1.26 -4.68 119.74 122.67 2jk3 s LYS 187 Ca 0.83 -0.35 -0.27 0.00 -0.36 0.00 0.00 55.97 55.82 2jk3 s LYS 187 Cb -0.48 -3.48 -0.11 0.00 -1.51 0.00 0.00 37.83 32.25 2jk3 s LYS 187 CO 0.38 -0.06 1.36 -2.30 -0.36 0.00 0.00 175.35 174.38 2jk3 n PRO 188 N 4.63 2.29 -0.00 4.03 -0.02 -1.26 -4.93 135.00 139.73 2jk3 n PRO 188 Ca -0.15 0.80 -0.02 0.00 -2.02 0.00 0.00 63.50 62.11 2jk3 n PRO 188 Cb 0.52 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 2jk3 n PRO 188 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2jk3 h ASN 189 N 2.57 -0.23 0.00 2.55 -1.24 -2.05 -3.55 115.58 113.63 2jk3 h ASN 189 Ca -0.48 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2jk3 h ASN 189 Cb 1.27 0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.41 2jk3 h ASN 189 CO 0.62 -0.07 0.00 2.30 -1.29 0.00 0.00 177.43 179.00