#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 0.00 -0.31 4.33 3.08 -2.05 0.15 114.38 119.58 2jk3 h ARG 5 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2jk3 h ARG 5 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2jk3 h ARG 5 CO 0.00 0.02 -0.22 0.93 -1.07 0.00 0.00 179.97 179.63 2jk3 h GLU 6 N 0.00 0.70 -1.00 0.04 3.07 -2.05 -2.05 114.58 113.29 2jk3 h GLU 6 Ca -0.00 -0.34 0.08 0.00 -0.50 0.00 0.00 59.36 58.60 2jk3 h GLU 6 Cb 0.04 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.88 2jk3 h GLU 6 CO 0.00 0.95 0.64 0.37 -1.40 0.00 0.00 179.01 179.57 2jk3 h GLN 7 N 0.46 1.09 -0.02 2.33 5.75 -1.46 0.10 115.11 123.37 2jk3 h GLN 7 Ca 0.06 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2jk3 h GLN 7 Cb 0.78 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 2jk3 h GLN 7 CO 0.06 0.72 0.01 1.15 -2.65 0.00 0.00 178.83 178.12 2jk3 h THR 8 N 1.13 1.16 -0.84 2.39 2.02 -0.70 0.58 112.91 118.65 2jk3 h THR 8 Ca 0.45 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2jk3 h THR 8 Cb 0.26 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 2jk3 h THR 8 CO -0.20 0.12 0.55 0.24 0.37 0.00 0.00 175.52 176.60 2jk3 h MET 9 N -0.16 0.92 -0.22 6.66 2.86 -0.90 -1.12 114.93 122.97 2jk3 h MET 9 Ca 0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2jk3 h MET 9 Cb 0.19 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2jk3 h MET 9 CO -0.00 0.61 0.06 1.49 1.06 0.00 0.00 176.91 180.13 2jk3 h GLU 10 N 0.95 0.35 -0.80 1.72 4.81 -0.32 -0.58 114.58 120.71 2jk3 h GLU 10 Ca 0.36 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 2jk3 h GLU 10 Cb 0.18 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 2jk3 h GLU 10 CO -0.12 0.45 0.47 -0.91 -0.73 0.00 0.00 179.01 178.16 2jk3 h ASN 11 N 0.19 0.69 -0.41 1.04 2.35 -0.06 0.72 115.58 120.10 2jk3 h ASN 11 Ca 0.07 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2jk3 h ASN 11 Cb 0.25 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2jk3 h ASN 11 CO -0.00 0.42 0.19 0.40 -1.65 0.00 0.00 177.43 176.79 2jk3 h ILE 12 N 0.81 1.18 -0.29 2.81 2.04 -0.85 -0.53 117.51 122.67 2jk3 h ILE 12 Ca 0.37 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2jk3 h ILE 12 Cb 0.28 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2jk3 h ILE 12 CO -0.22 0.20 0.11 -0.07 0.00 0.00 0.00 178.15 178.17 2jk3 h LEU 13 N 0.52 0.40 -0.72 1.44 3.38 0.51 0.52 115.31 121.36 2jk3 h LEU 13 Ca 0.14 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2jk3 h LEU 13 Cb 0.13 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2jk3 h LEU 13 CO -0.02 0.47 0.39 0.50 0.09 0.00 0.00 178.44 179.87 2jk3 h LYS 14 N 0.32 0.66 -0.17 1.13 3.64 0.44 -0.56 116.57 122.03 2jk3 h LYS 14 Ca 0.10 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 2jk3 h LYS 14 Cb 0.19 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2jk3 h LYS 14 CO -0.01 0.44 -0.40 0.00 -2.27 0.00 0.00 179.45 177.21 2jk3 h ALA 15 N 1.40 0.99 -0.29 5.00 0.00 -0.74 -1.87 119.26 123.76 2jk3 h ALA 15 Ca 0.34 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2jk3 h ALA 15 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jk3 h ALA 15 CO -0.23 0.62 -0.36 0.00 0.00 0.00 0.00 179.25 179.27 2jk3 h ALA 16 N 1.25 0.43 0.40 0.00 0.00 -0.35 -0.88 119.26 120.11 2jk3 h ALA 16 Ca 0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2jk3 h ALA 16 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jk3 h ALA 16 CO 0.07 0.51 -0.21 -0.22 0.00 0.00 0.00 179.25 179.40 2jk3 h LYS 17 N 0.51 -0.54 -0.07 0.00 3.64 -0.99 0.20 116.57 119.33 2jk3 h LYS 17 Ca 0.04 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2jk3 h LYS 17 Cb 0.95 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 2jk3 h LYS 17 CO 0.09 -0.36 -0.20 -0.22 -2.27 0.00 0.00 179.45 176.48 2jk3 h LYS 18 N -0.56 -0.28 -0.20 1.90 3.64 -1.30 0.35 116.57 120.11 2jk3 h LYS 18 Ca -0.05 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2jk3 h LYS 18 Cb 0.44 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2jk3 h LYS 18 CO 0.07 -0.19 -0.22 0.87 -2.27 0.00 0.00 179.45 177.72 2jk3 h LYS 19 N -0.29 0.51 -0.74 1.90 1.79 -1.06 -2.27 116.57 116.40 2jk3 h LYS 19 Ca 0.08 -0.27 0.05 0.00 -2.18 0.00 0.00 60.65 58.33 2jk3 h LYS 19 Cb 0.40 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 2jk3 h LYS 19 CO -0.24 0.86 0.44 0.74 -1.08 0.00 0.00 179.45 180.17 2jk3 h PHE 20 N 0.18 0.82 -0.82 -1.35 0.04 -0.51 -2.52 116.94 112.78 2jk3 h PHE 20 Ca 0.03 0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.97 2jk3 h PHE 20 Cb 0.77 -0.26 -0.09 0.00 2.20 0.00 0.00 35.95 38.56 2jk3 h PHE 20 CO 0.08 0.41 0.39 0.78 -0.60 0.00 0.00 178.31 179.38 2jk3 h GLY 21 N 0.82 1.31 0.60 -1.45 0.00 0.10 0.44 103.07 104.88 2jk3 h GLY 21 Ca 0.32 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 2jk3 h GLY 21 CO -0.17 -0.06 -0.51 0.83 0.00 0.00 0.00 176.54 176.63 2jk3 h GLU 22 N 0.56 0.28 -0.01 4.80 5.08 -1.11 -3.39 114.58 120.80 2jk3 h GLU 22 Ca 0.45 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2jk3 h GLU 22 Cb 0.66 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jk3 h GLU 22 CO -0.38 1.08 -0.32 0.54 -1.00 0.00 0.00 179.01 178.94 2jk3 n ARG 23 N -4.31 2.23 -0.06 2.33 1.74 -0.98 -5.12 116.66 112.50 2jk3 n ARG 23 Ca -0.11 -0.52 0.01 0.00 -0.77 0.00 0.00 57.85 56.46 2jk3 n ARG 23 Cb 0.65 -1.12 -0.00 0.00 -1.02 0.00 0.00 32.46 30.96 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 1.04 -2.07 0.19 -0.13 0.00 0.15 -3.56 105.19 100.81 2jk3 n GLY 24 Ca 0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.06 0.40 -0.55 1.61 3.20 -1.94 -2.72 116.97 116.91 2jk3 h TYR 25 Ca -0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2jk3 h TYR 25 Cb 0.06 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2jk3 h TYR 25 CO 0.00 0.20 0.08 0.93 -1.64 0.00 0.00 178.16 177.73 2jk3 h GLU 26 N 0.44 0.93 -0.39 1.82 4.39 -1.97 -3.19 114.58 116.61 2jk3 h GLU 26 Ca 0.20 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2jk3 h GLU 26 Cb 0.11 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2jk3 h GLU 26 CO -0.14 0.90 0.00 0.41 -1.16 0.00 0.00 179.01 179.02 2jk3 n GLY 27 N -0.52 0.85 3.64 -3.84 0.00 -1.04 -4.81 105.19 99.47 2jk3 n GLY 27 Ca 0.02 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.48 3.52 0.08 2.61 2.01 -1.11 -4.84 115.64 116.43 2jk3 s THR 28 Ca 0.27 -1.70 -0.01 0.00 0.31 0.00 0.00 61.69 60.56 2jk3 s THR 28 Cb 0.14 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2jk3 s THR 28 CO 0.19 -0.25 -0.00 -0.94 -0.69 0.00 0.00 174.62 172.93 2jk3 s SER 29 N -3.31 0.50 0.49 3.53 1.04 -1.26 -4.98 113.70 109.70 2jk3 s SER 29 Ca 0.29 -1.08 0.16 0.00 0.48 0.00 0.00 55.95 55.81 2jk3 s SER 29 Cb -0.08 0.22 1.19 0.00 0.10 0.00 0.00 66.02 67.46 2jk3 s SER 29 CO 0.19 -0.63 2.08 0.40 0.98 0.00 0.00 173.24 176.25 2jk3 h ILE 30 N 3.02 0.94 -0.12 -1.02 2.04 -1.98 -1.62 117.51 118.77 2jk3 h ILE 30 Ca -0.35 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2jk3 h ILE 30 Cb 1.16 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2jk3 h ILE 30 CO 0.63 0.03 0.08 1.56 0.00 0.00 0.00 178.15 180.45 2jk3 h GLN 31 N 0.15 0.17 -0.64 2.37 7.50 -1.97 1.71 115.11 124.41 2jk3 h GLN 31 Ca 0.12 -0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.17 2jk3 h GLN 31 Cb 0.29 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 2jk3 h GLN 31 CO -0.02 0.14 0.06 0.93 -1.50 0.00 0.00 178.83 178.45 2jk3 h GLU 32 N 0.14 1.07 0.10 1.46 5.08 -1.77 0.21 114.58 120.88 2jk3 h GLU 32 Ca 0.04 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2jk3 h GLU 32 Cb 0.02 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2jk3 h GLU 32 CO -0.01 1.01 -0.05 0.82 -1.00 0.00 0.00 179.01 179.78 2jk3 h ILE 33 N 0.99 1.12 -0.53 3.13 2.04 -1.05 0.40 117.51 123.62 2jk3 h ILE 33 Ca 0.19 -0.99 0.10 0.00 1.00 0.00 0.00 64.86 65.16 2jk3 h ILE 33 Cb 0.48 1.74 -0.09 0.00 -0.74 0.00 0.00 36.82 38.21 2jk3 h ILE 33 CO 0.02 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.41 2jk3 h ALA 34 N 0.21 0.51 0.40 1.87 0.00 0.27 1.00 119.26 123.51 2jk3 h ALA 34 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jk3 h ALA 34 Cb 0.49 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jk3 h ALA 34 CO 0.02 -0.38 -0.26 -0.22 0.00 0.00 0.00 179.25 178.41 2jk3 h LYS 35 N 0.13 -0.61 -0.71 0.00 3.64 -0.47 0.12 116.57 118.66 2jk3 h LYS 35 Ca 0.27 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.84 2jk3 h LYS 35 Cb 0.41 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.24 2jk3 h LYS 35 CO -0.44 -0.41 -0.08 1.49 -2.27 0.00 0.00 179.45 177.74 2jk3 h GLU 36 N -0.64 0.05 0.00 1.90 4.57 -0.58 0.54 114.58 120.43 2jk3 h GLU 36 Ca -0.04 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2jk3 h GLU 36 Cb 0.53 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2jk3 h GLU 36 CO 0.03 0.03 0.00 0.00 -1.18 0.00 0.00 179.01 177.90 2jk3 n ALA 37 N -3.03 2.22 -3.12 2.92 0.00 0.32 -4.93 120.51 114.88 2jk3 n ALA 37 Ca 0.11 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2jk3 n ALA 37 Cb 0.41 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.36 -5.08 -4.14 0.00 5.02 0.35 -4.84 118.16 108.11 2jk3 n LYS 38 Ca 0.10 0.59 -0.09 0.00 -2.02 0.00 0.00 58.31 56.88 2jk3 n LYS 38 Cb 0.23 -4.86 -0.10 0.00 -0.02 0.00 0.00 35.03 30.28 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 -3.24 0.52 0.67 -0.18 -7.23 -0.86 -5.04 120.40 105.04 2jk3 s VAL 39 Ca 0.19 -1.88 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2jk3 s VAL 39 Cb -0.08 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.26 2jk3 s VAL 39 CO 0.51 -0.91 1.02 0.54 -0.31 0.00 0.00 175.10 175.95 2jk3 s ASN 40 N -2.98 5.42 0.23 4.85 2.20 -1.26 -4.08 114.94 119.31 2jk3 s ASN 40 Ca 0.10 0.92 -0.06 0.00 -0.94 0.00 0.00 52.86 52.87 2jk3 s ASN 40 Cb 0.06 -1.77 0.36 0.00 -2.00 0.00 0.00 41.25 37.91 2jk3 s ASN 40 CO -0.07 -1.28 1.76 0.58 -2.94 0.00 0.00 177.10 175.16 2jk3 h VAL 41 N -0.49 0.79 -1.03 3.54 2.07 -1.91 -1.53 116.25 117.69 2jk3 h VAL 41 Ca -0.45 -0.19 0.26 0.00 0.82 0.00 0.00 66.70 67.15 2jk3 h VAL 41 Cb 1.26 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 31.12 2jk3 h VAL 41 CO 0.63 0.10 0.64 0.00 0.02 0.00 0.00 177.57 178.96 2jk3 h ALA 42 N 1.46 2.05 -0.41 1.67 0.00 -1.98 0.38 119.26 122.43 2jk3 h ALA 42 Ca 0.36 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 2jk3 h ALA 42 Cb 0.44 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2jk3 h ALA 42 CO -0.31 -0.50 -0.16 1.98 0.00 0.00 0.00 179.25 180.27 2jk3 h MET 43 N 0.46 0.77 -0.02 0.00 -1.53 -1.64 0.03 114.93 113.00 2jk3 h MET 43 Ca 0.63 -0.28 -0.08 0.00 -3.44 0.00 0.00 59.70 56.54 2jk3 h MET 43 Cb 1.43 -0.05 0.01 0.00 -0.55 0.00 0.00 31.60 32.43 2jk3 h MET 43 CO -0.39 0.88 -0.28 0.00 0.14 0.00 0.00 176.91 177.26 2jk3 h ALA 44 N 1.14 0.06 -0.99 0.39 0.00 -0.88 -2.58 119.26 116.40 2jk3 h ALA 44 Ca 0.11 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2jk3 h ALA 44 Cb 0.65 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2jk3 h ALA 44 CO 0.05 0.12 0.64 0.77 0.00 0.00 0.00 179.25 180.82 2jk3 h SER 45 N -0.38 1.00 -0.23 0.00 0.02 -0.36 0.12 113.55 113.73 2jk3 h SER 45 Ca -0.03 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2jk3 h SER 45 Cb 1.00 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 2jk3 h SER 45 CO 0.06 0.62 -0.13 0.22 -1.14 0.00 0.00 176.83 176.46 2jk3 h TYR 46 N 1.12 -0.32 0.00 3.45 3.20 -0.87 0.23 116.97 123.79 2jk3 h TYR 46 Ca 0.44 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.18 2jk3 h TYR 46 Cb 0.24 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2jk3 h TYR 46 CO -0.00 -0.19 -0.90 1.88 -1.64 0.00 0.00 178.16 177.31 2jk3 h TYR 47 N -0.11 0.00 0.00 -3.82 0.05 -0.97 -3.41 116.97 108.71 2jk3 h TYR 47 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2jk3 h TYR 47 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2jk3 h TYR 47 CO -0.30 0.66 -0.46 1.19 -1.05 0.00 0.00 178.16 178.20 2jk3 n PHE 48 N -3.16 0.00 -3.33 4.88 3.72 0.34 -5.07 117.46 114.83 2jk3 n PHE 48 Ca -0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 2jk3 n PHE 48 Cb 0.82 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.39 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 -0.71 -6.64 0.00 4.37 5.15 0.81 -4.31 115.26 113.94 2jk3 n ASN 49 Ca 0.00 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 2jk3 n ASN 49 Cb 0.01 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 34.90 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 -1.62 2.78 0.12 8.20 0.00 -1.26 -4.59 105.19 108.82 2jk3 n GLY 50 Ca -0.08 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 0.31 -0.30 1.61 3.64 -1.99 -1.43 116.57 118.41 2jk3 h LYS 51 Ca 0.00 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2jk3 h LYS 51 Cb 0.00 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 2jk3 h LYS 51 CO 0.00 0.33 0.00 1.49 -2.27 0.00 0.00 179.45 179.00 2jk3 h GLU 52 N 0.21 0.09 -0.25 1.90 4.81 -1.94 0.13 114.58 119.53 2jk3 h GLU 52 Ca 0.07 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 2jk3 h GLU 52 Cb 0.12 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2jk3 h GLU 52 CO -0.01 0.06 -0.44 -0.97 -0.73 0.00 0.00 179.01 176.92 2jk3 h ASN 53 N 0.09 0.66 -0.37 1.04 -1.24 -1.75 -1.84 115.58 112.16 2jk3 h ASN 53 Ca 0.14 -0.31 0.06 0.00 0.71 0.00 0.00 56.30 56.90 2jk3 h ASN 53 Cb 0.19 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 2jk3 h ASN 53 CO -0.24 1.01 0.05 0.25 -1.29 0.00 0.00 177.43 177.22 2jk3 h LEU 54 N 0.50 -0.04 -0.04 0.34 5.85 -0.60 -0.85 115.31 120.46 2jk3 h LEU 54 Ca 0.03 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2jk3 h LEU 54 Cb 0.97 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2jk3 h LEU 54 CO 0.09 0.02 -0.45 0.22 -0.34 0.00 0.00 178.44 177.98 2jk3 h TYR 55 N 0.17 -1.29 -0.79 1.25 3.20 0.04 -0.50 116.97 119.06 2jk3 h TYR 55 Ca 0.18 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.12 2jk3 h TYR 55 Cb 0.22 0.57 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 2jk3 h TYR 55 CO -0.21 -0.51 0.52 1.88 -1.64 0.00 0.00 178.16 178.20 2jk3 h TYR 56 N -0.58 0.96 -0.12 -3.82 0.05 -1.15 -1.46 116.97 110.86 2jk3 h TYR 56 Ca 0.05 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 2jk3 h TYR 56 Cb 0.66 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 2jk3 h TYR 56 CO -0.46 0.58 -0.15 0.93 -1.05 0.00 0.00 178.16 178.01 2jk3 h GLU 57 N 1.02 0.18 -0.56 4.88 4.39 -0.13 0.13 114.58 124.49 2jk3 h GLU 57 Ca 0.30 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2jk3 h GLU 57 Cb -0.03 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2jk3 h GLU 57 CO -0.08 0.34 0.32 0.28 -1.16 0.00 0.00 179.01 178.71 2jk3 h VAL 58 N 0.17 1.17 -0.37 3.13 2.07 -0.02 0.29 116.25 122.69 2jk3 h VAL 58 Ca 0.03 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 2jk3 h VAL 58 Cb 0.37 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2jk3 h VAL 58 CO 0.02 0.18 -0.34 -0.26 0.02 0.00 0.00 177.57 177.20 2jk3 h PHE 59 N 0.75 0.98 -0.54 1.57 0.04 -1.17 0.47 116.94 119.04 2jk3 h PHE 59 Ca 0.20 -0.27 -0.11 0.00 2.80 0.00 0.00 57.97 60.59 2jk3 h PHE 59 Cb 0.01 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 2jk3 h PHE 59 CO -0.02 1.05 -0.08 -0.22 -0.60 0.00 0.00 178.31 178.44 2jk3 h LYS 60 N 0.70 1.01 -0.04 1.51 3.64 -0.78 0.91 116.57 123.52 2jk3 h LYS 60 Ca 0.07 -0.37 -0.21 0.00 -1.27 0.00 0.00 60.65 58.87 2jk3 h LYS 60 Cb 0.89 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2jk3 h LYS 60 CO 0.08 1.05 -0.86 -0.22 -2.27 0.00 0.00 179.45 177.23 2jk3 h LYS 61 N 0.88 0.46 -0.00 1.90 1.63 -0.17 -3.38 116.57 117.90 2jk3 h LYS 61 Ca 0.14 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2jk3 h LYS 61 Cb 0.65 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2jk3 h LYS 61 CO 0.04 1.09 -0.02 0.66 -3.45 0.00 0.00 179.45 177.78 2jk3 n TYR 62 N -3.80 0.00 0.00 1.91 4.01 0.16 -5.02 117.16 114.42 2jk3 n TYR 62 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2jk3 n TYR 62 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 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 0.31 0.78 3.51 2.72 0.00 0.31 -4.98 105.19 107.84 2jk3 n GLY 63 Ca 0.01 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 2jk3 n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jk3 s LEU 64 N 0.00 0.61 0.00 0.99 1.43 -1.07 -5.03 118.68 115.61 2jk3 s LEU 64 Ca 0.00 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 2jk3 s LEU 64 Cb 0.00 1.50 0.00 0.00 0.03 0.00 0.00 46.19 47.72 2jk3 s LEU 64 CO 0.00 -1.15 0.00 -0.11 0.23 0.00 0.00 176.35 175.32 2jk3 n LEU 68 N -0.41 0.00 -4.69 1.79 7.94 -1.26 -4.72 117.00 115.65 2jk3 n LEU 68 Ca -0.01 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 2jk3 n LEU 68 Cb 0.62 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.72 2jk3 n LEU 68 CO 0.26 0.00 0.67 -2.84 -1.11 0.00 0.00 177.39 174.37 2jk3 s PRO 69 N -0.82 1.29 -0.50 1.96 0.02 -1.26 -4.94 135.00 130.75 2jk3 s PRO 69 Ca 0.00 1.29 -0.25 0.00 0.02 0.00 0.00 61.00 62.05 2jk3 s PRO 69 Cb 0.00 -1.78 0.03 0.00 0.02 0.00 0.00 34.50 32.77 2jk3 s PRO 69 CO 0.00 -2.35 0.96 1.21 -0.33 0.00 0.00 177.00 176.48 2jk3 s ASN 70 N -2.98 6.45 0.28 2.53 2.47 -1.26 -4.93 114.94 117.50 2jk3 s ASN 70 Ca 0.65 -0.02 0.09 0.00 0.42 0.00 0.00 52.86 53.99 2jk3 s ASN 70 Cb -0.21 -2.46 0.39 0.00 -1.45 0.00 0.00 41.25 37.53 2jk3 s ASN 70 CO 0.58 -1.15 1.64 -0.26 -3.72 0.00 0.00 177.10 174.19 2jk3 h PHE 71 N 9.20 0.11 -0.63 0.43 0.04 -1.92 0.10 116.94 124.27 2jk3 h PHE 71 Ca -0.25 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.45 2jk3 h PHE 71 Cb 1.07 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 2jk3 h PHE 71 CO 0.90 0.62 0.25 -0.07 -0.60 0.00 0.00 178.31 179.41 2jk3 h LEU 72 N 0.07 0.84 -0.01 1.54 3.38 -1.90 -0.54 115.31 118.70 2jk3 h LEU 72 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2jk3 h LEU 72 Cb 1.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2jk3 h LEU 72 CO 0.08 0.76 -0.02 -0.08 0.09 0.00 0.00 178.44 179.27 2jk3 h GLU 73 N 0.91 0.03 -0.20 1.13 4.22 -1.78 0.74 114.58 119.62 2jk3 h GLU 73 Ca 0.21 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.69 2jk3 h GLU 73 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2jk3 h GLU 73 CO -0.02 0.64 0.29 -0.22 -2.18 0.00 0.00 179.01 177.52 2jk3 h LYS 74 N -0.58 0.00 -0.14 1.92 3.64 -0.69 -2.41 116.57 118.31 2jk3 h LYS 74 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2jk3 h LYS 74 Cb 0.64 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2jk3 h LYS 74 CO 0.00 0.00 -0.20 0.09 -2.27 0.00 0.00 179.45 177.08 2jk3 n ASN 75 N -3.55 2.36 -3.23 4.20 3.02 -0.22 -4.99 115.26 112.85 2jk3 n ASN 75 Ca 0.02 -3.58 -0.23 0.00 -0.03 0.00 0.00 54.58 50.77 2jk3 n ASN 75 Cb 0.41 -0.54 0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.11 -6.25 -1.89 3.52 3.00 -0.88 -1.78 117.38 111.98 2jk3 n GLN 76 Ca 0.23 0.86 -0.18 0.00 -0.01 0.00 0.00 57.00 57.90 2jk3 n GLN 76 Cb 0.82 -5.77 -0.05 0.00 0.00 0.00 0.00 30.24 25.24 2jk3 n GLN 76 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jk3 n PHE 77 N -4.72 -0.38 -3.20 1.08 7.35 0.25 -4.97 117.46 112.87 2jk3 n PHE 77 Ca -0.06 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.19 2jk3 n PHE 77 Cb 0.59 -3.33 -0.06 0.00 0.35 0.00 0.00 39.48 37.04 2jk3 n PHE 77 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2jk3 s ASN 78 N -2.53 6.20 0.50 -2.13 3.84 -0.73 -4.96 114.94 115.12 2jk3 s ASN 78 Ca 0.00 -1.21 0.24 0.00 0.21 0.00 0.00 52.86 52.10 2jk3 s ASN 78 Cb 0.00 -2.27 1.31 0.00 -0.55 0.00 0.00 41.25 39.75 2jk3 s ASN 78 CO 0.00 -0.91 2.04 -0.65 -2.79 0.00 0.00 177.10 174.79 2jk3 h PRO 79 N 9.00 0.00 0.31 0.43 0.11 -1.90 -1.02 132.00 138.93 2jk3 h PRO 79 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2jk3 h PRO 79 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jk3 h PRO 79 CO 0.99 0.15 -0.15 0.82 -0.21 0.00 0.00 178.00 179.60 2jk3 h ILE 80 N 0.00 0.70 -0.27 4.15 2.04 -1.94 -0.09 117.51 122.10 2jk3 h ILE 80 Ca -0.00 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 2jk3 h ILE 80 Cb 0.35 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2jk3 h ILE 80 CO 0.02 0.10 -0.24 0.78 0.00 0.00 0.00 178.15 178.81 2jk3 h ASN 81 N -0.72 0.53 -0.68 1.72 2.35 -1.87 -1.08 115.58 115.83 2jk3 h ASN 81 Ca -0.04 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 2jk3 h ASN 81 Cb 0.49 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 2jk3 h ASN 81 CO 0.07 0.76 0.34 0.00 -1.65 0.00 0.00 177.43 176.95 2jk3 h ALA 82 N 1.28 0.87 -0.23 -0.83 0.00 -1.19 -0.11 119.26 119.06 2jk3 h ALA 82 Ca 0.07 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2jk3 h ALA 82 Cb 0.67 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jk3 h ALA 82 CO 0.05 0.42 -0.34 1.25 0.00 0.00 0.00 179.25 180.63 2jk3 h LEU 83 N 0.94 0.70 -0.44 0.00 5.85 -0.45 -1.10 115.31 120.81 2jk3 h LEU 83 Ca 0.24 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.45 2jk3 h LEU 83 Cb 0.09 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2jk3 h LEU 83 CO -0.03 1.08 0.27 -0.09 -0.34 0.00 0.00 178.44 179.33 2jk3 h ARG 84 N 0.34 0.53 -0.08 1.25 2.43 -1.11 0.22 114.38 117.96 2jk3 h ARG 84 Ca 0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2jk3 h ARG 84 Cb 0.93 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2jk3 h ARG 84 CO 0.08 0.35 0.03 1.49 -1.51 0.00 0.00 179.97 180.41 2jk3 h GLU 85 N 0.55 0.12 -0.31 0.20 4.81 -1.00 -0.60 114.58 118.35 2jk3 h GLU 85 Ca 0.17 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2jk3 h GLU 85 Cb -0.01 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2jk3 h GLU 85 CO -0.07 0.27 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.51 2jk3 h TYR 86 N -0.05 -0.13 -0.14 0.92 3.20 -0.84 -0.79 116.97 119.15 2jk3 h TYR 86 Ca 0.03 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 2jk3 h TYR 86 Cb 0.20 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2jk3 h TYR 86 CO -0.01 -0.11 -0.38 -0.07 -1.64 0.00 0.00 178.16 175.95 2jk3 h LEU 87 N 0.02 0.30 -0.59 2.82 3.38 -0.50 -1.46 115.31 119.28 2jk3 h LEU 87 Ca 0.15 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2jk3 h LEU 87 Cb 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jk3 h LEU 87 CO -0.30 0.66 -0.36 0.74 0.09 0.00 0.00 178.44 179.27 2jk3 h THR 88 N 0.25 1.28 -0.10 0.22 2.02 -0.61 -0.77 112.91 115.19 2jk3 h THR 88 Ca 0.03 -1.51 -0.16 0.00 0.77 0.00 0.00 66.41 65.54 2jk3 h THR 88 Cb 0.79 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2jk3 h THR 88 CO 0.06 0.49 -0.61 0.58 0.37 0.00 0.00 175.52 176.41 2jk3 h VAL 89 N 0.61 1.36 -0.22 3.16 2.07 -1.01 -1.97 116.25 120.25 2jk3 h VAL 89 Ca 0.06 -1.95 -0.04 0.00 0.82 0.00 0.00 66.70 65.58 2jk3 h VAL 89 Cb 0.89 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2jk3 h VAL 89 CO 0.08 0.59 -0.04 0.15 0.02 0.00 0.00 177.57 178.37 2jk3 h PHE 90 N 0.27 0.45 0.45 1.57 3.57 -0.99 -2.75 116.94 119.53 2jk3 h PHE 90 Ca -0.01 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2jk3 h PHE 90 Cb 1.14 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2jk3 h PHE 90 CO 0.03 0.63 -0.22 1.15 -2.23 0.00 0.00 178.31 177.68 2jk3 h THR 91 N 0.14 0.55 -0.58 4.41 2.02 -1.13 -1.88 112.91 116.44 2jk3 h THR 91 Ca 0.06 -0.14 0.12 0.00 0.77 0.00 0.00 66.41 67.22 2jk3 h THR 91 Cb 0.48 0.62 -0.10 0.00 -1.74 0.00 0.00 68.15 67.40 2jk3 h THR 91 CO 0.02 0.03 -0.06 0.74 0.37 0.00 0.00 175.52 176.61 2jk3 h THR 92 N -0.69 0.47 -0.60 3.16 2.02 -1.42 -0.61 112.91 115.25 2jk3 h THR 92 Ca -0.06 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2jk3 h THR 92 Cb 0.51 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2jk3 h THR 92 CO 0.10 0.01 0.39 -0.74 0.37 0.00 0.00 175.52 175.66 2jk3 h HIS 93 N 0.06 0.74 -0.03 3.16 6.17 -1.23 -0.97 115.15 123.06 2jk3 h HIS 93 Ca 0.29 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.27 2jk3 h HIS 93 Cb 0.46 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.13 2jk3 h HIS 93 CO -0.41 0.46 -0.54 0.82 0.71 0.00 0.00 177.93 178.97 2jk3 h ILE 94 N 0.79 1.38 -0.21 6.26 1.08 -0.73 -1.19 117.51 124.88 2jk3 h ILE 94 Ca 0.22 -1.84 -0.14 0.00 -0.39 0.00 0.00 64.86 62.71 2jk3 h ILE 94 Cb -0.07 1.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2jk3 h ILE 94 CO -0.06 0.53 -0.46 0.50 -0.69 0.00 0.00 178.15 177.98 2jk3 h LYS 95 N 0.07 0.54 0.00 2.37 3.64 -0.54 -2.60 116.57 120.05 2jk3 h LYS 95 Ca -0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2jk3 h LYS 95 Cb 0.97 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2jk3 h LYS 95 CO 0.08 0.89 -0.09 0.39 -2.27 0.00 0.00 179.45 178.45 2jk3 n GLU 96 N -4.00 0.22 -2.70 1.90 1.02 -0.42 -4.23 120.64 112.43 2jk3 n GLU 96 Ca -0.02 0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 2jk3 n GLU 96 Cb 0.55 -1.74 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.11 2.08 0.22 1.62 3.02 -0.48 -4.93 115.26 114.68 2jk3 n ASN 97 Ca 0.06 -2.97 0.13 0.00 -0.03 0.00 0.00 54.58 51.76 2jk3 n ASN 97 Cb 0.42 -0.53 0.73 0.00 -0.61 0.00 0.00 39.78 39.79 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 2.92 0.00 0.00 3.52 0.13 -1.64 -1.50 132.00 135.43 2jk3 h PRO 98 Ca 0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2jk3 h PRO 98 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jk3 h PRO 98 CO 0.58 0.00 -0.01 0.93 -0.23 0.00 0.00 178.00 179.27 2jk3 h GLU 99 N 0.00 0.00 0.16 0.86 3.07 -1.92 -1.79 114.58 114.96 2jk3 h GLU 99 Ca 0.05 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2jk3 h GLU 99 Cb 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 2jk3 h GLU 99 CO -0.00 0.01 -0.18 0.82 -1.40 0.00 0.00 179.01 178.25 2jk3 h ILE 100 N 0.00 0.59 -0.20 3.13 1.08 -1.64 0.21 117.51 120.68 2jk3 h ILE 100 Ca -0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 2jk3 h ILE 100 Cb 0.01 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 2jk3 h ILE 100 CO 0.00 0.00 -0.01 1.23 -0.69 0.00 0.00 178.15 178.68 2jk3 h GLY 101 N -0.38 0.18 1.76 5.37 0.00 -1.50 0.35 103.07 108.85 2jk3 h GLY 101 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 2jk3 h GLY 101 CO -0.06 -0.05 -0.53 -0.91 0.00 0.00 0.00 176.54 174.99 2jk3 h THR 102 N 0.05 1.36 0.02 4.70 1.35 -1.22 0.24 112.91 119.41 2jk3 h THR 102 Ca 0.10 -1.80 -0.26 0.00 -0.55 0.00 0.00 66.41 63.90 2jk3 h THR 102 Cb 0.13 1.87 0.02 0.00 -1.73 0.00 0.00 68.15 68.43 2jk3 h THR 102 CO -0.17 0.54 -1.04 -0.07 -0.25 0.00 0.00 175.52 174.52 2jk3 h LEU 103 N 0.20 0.77 0.04 3.87 3.38 -0.42 -2.00 115.31 121.16 2jk3 h LEU 103 Ca 0.00 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 2jk3 h LEU 103 Cb 1.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2jk3 h LEU 103 CO 0.08 1.44 -0.02 0.00 0.09 0.00 0.00 178.44 180.03 2jk3 h ALA 104 N 0.51 -0.06 -0.60 1.53 0.00 0.04 -1.97 119.26 118.70 2jk3 h ALA 104 Ca -0.12 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.88 2jk3 h ALA 104 Cb 1.69 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.40 2jk3 h ALA 104 CO 0.20 -0.53 -0.35 -0.92 0.00 0.00 0.00 179.25 177.64 2jk3 h TYR 105 N -0.06 -0.98 -0.70 0.00 3.20 -0.45 0.16 116.97 118.13 2jk3 h TYR 105 Ca -0.00 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2jk3 h TYR 105 Cb 0.05 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2jk3 h TYR 105 CO -0.08 -0.39 0.46 1.49 -1.64 0.00 0.00 178.16 178.00 2jk3 h GLU 106 N -0.17 0.79 -0.11 1.82 4.57 -1.05 0.12 114.58 120.56 2jk3 h GLU 106 Ca 0.23 -0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 58.14 2jk3 h GLU 106 Cb 0.55 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2jk3 h GLU 106 CO -0.69 0.52 -0.81 0.93 -1.18 0.00 0.00 179.01 177.78 2jk3 h GLU 107 N 0.82 0.66 -0.04 1.92 4.39 -0.15 0.11 114.58 122.28 2jk3 h GLU 107 Ca 0.29 -0.57 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2jk3 h GLU 107 Cb 0.11 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2jk3 h GLU 107 CO -0.08 1.18 0.00 0.82 -1.16 0.00 0.00 179.01 179.77 2jk3 h ILE 108 N 0.44 1.24 -0.33 3.13 2.04 -0.36 1.65 117.51 125.31 2jk3 h ILE 108 Ca -0.06 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.10 2jk3 h ILE 108 Cb 1.43 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.14 2jk3 h ILE 108 CO 0.16 0.20 0.14 0.40 0.00 0.00 0.00 178.15 179.05 2jk3 h ILE 109 N -0.22 0.95 0.00 -0.67 1.08 -0.73 -2.90 117.51 115.02 2jk3 h ILE 109 Ca 0.01 -0.10 -0.15 0.00 -0.39 0.00 0.00 64.86 64.22 2jk3 h ILE 109 Cb 0.31 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 2jk3 h ILE 109 CO 0.00 0.05 -0.91 0.50 -0.69 0.00 0.00 178.15 177.11 2jk3 h LYS 110 N 0.30 0.00 -5.37 2.37 3.64 -0.68 -3.49 116.57 113.34 2jk3 h LYS 110 Ca 0.14 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.30 2jk3 h LYS 110 Cb 0.09 0.00 0.18 0.00 -0.41 0.00 0.00 32.23 32.09 2jk3 h LYS 110 CO -0.12 0.55 -0.78 0.39 -2.27 0.00 0.00 179.45 177.21 2jk3 n GLU 111 N -3.15 -2.12 -2.41 1.90 1.02 0.56 -5.01 120.64 111.43 2jk3 n GLU 111 Ca -0.02 0.88 -0.25 0.00 -0.02 0.00 0.00 57.16 57.75 2jk3 n GLU 111 Cb 0.82 -5.70 0.12 0.00 -0.02 0.00 0.00 31.44 26.66 2jk3 n GLU 111 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2jk3 s SER 112 N -3.35 4.15 0.36 1.62 1.04 -1.21 -4.95 113.70 111.35 2jk3 s SER 112 Ca 0.42 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.76 2jk3 s SER 112 Cb -0.05 -0.22 0.67 0.00 0.10 0.00 0.00 66.02 66.52 2jk3 s SER 112 CO 0.72 -2.00 1.94 0.00 0.98 0.00 0.00 173.24 174.87 2jk3 h ALA 113 N -0.76 1.47 -0.45 5.32 0.00 -1.95 -2.91 119.26 119.99 2jk3 h ALA 113 Ca -0.39 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2jk3 h ALA 113 Cb 1.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2jk3 h ALA 113 CO 0.42 0.39 0.30 0.00 0.00 0.00 0.00 179.25 180.36 2jk3 h ARG 114 N 0.55 0.40 -0.22 0.00 3.08 -1.97 -2.77 114.38 113.46 2jk3 h ARG 114 Ca 0.13 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.22 2jk3 h ARG 114 Cb 0.18 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 2jk3 h ARG 114 CO -0.01 0.27 -0.27 1.25 -1.07 0.00 0.00 179.97 180.14 2jk3 h LEU 115 N 0.41 -0.85 -1.60 3.04 5.85 -1.82 -1.79 115.31 118.55 2jk3 h LEU 115 Ca 0.19 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.07 2jk3 h LEU 115 Cb 0.23 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2jk3 h LEU 115 CO -0.05 -0.30 0.29 -0.33 -0.34 0.00 0.00 178.44 177.71 2jk3 h GLU 116 N -0.29 0.53 -0.09 1.25 4.39 -1.67 1.22 114.58 119.91 2jk3 h GLU 116 Ca 0.13 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 2jk3 h GLU 116 Cb 0.49 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2jk3 h GLU 116 CO -0.38 0.35 -0.61 0.87 -1.16 0.00 0.00 179.01 178.07 2jk3 h LYS 117 N 0.54 0.33 0.00 2.33 1.79 -1.49 -3.28 116.57 116.80 2jk3 h LYS 117 Ca 0.16 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 2jk3 h LYS 117 Cb -0.00 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2jk3 h LYS 117 CO -0.04 0.84 -1.46 0.44 -1.08 0.00 0.00 179.45 178.15 2jk3 n ILE 118 N -3.88 0.51 -0.27 1.86 -6.64 -0.24 -4.19 119.36 106.51 2jk3 n ILE 118 Ca -0.03 -0.56 0.02 0.00 -1.77 0.00 0.00 62.75 60.41 2jk3 n ILE 118 Cb 0.63 -0.28 0.09 0.00 -1.44 0.00 0.00 39.64 38.65 2jk3 n ILE 118 CO 0.00 0.00 0.00 0.50 -1.77 0.00 0.00 176.55 175.28 2jk3 h LYS 119 N 0.00 0.00 -1.52 6.28 3.64 0.14 -0.49 116.57 124.62 2jk3 h LYS 119 Ca -0.04 -0.00 0.50 0.00 -1.27 0.00 0.00 60.65 59.84 2jk3 h LYS 119 Cb 1.13 -0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.82 2jk3 h LYS 119 CO 0.01 0.00 1.01 -1.35 -2.27 0.00 0.00 179.45 176.84 2jk3 h PRO 120 N 0.00 0.00 -1.38 1.90 0.11 -1.73 -0.64 132.00 130.26 2jk3 h PRO 120 Ca 0.37 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.31 2jk3 h PRO 120 Cb 0.57 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.59 2jk3 h PRO 120 CO -0.80 0.00 0.22 0.66 -0.21 0.00 0.00 178.00 177.87 2jk3 n TYR 121 N -4.57 0.89 0.00 0.65 4.01 -0.19 -3.07 117.16 114.87 2jk3 n TYR 121 Ca 0.42 -1.25 0.00 0.00 -0.16 0.00 0.00 57.90 56.91 2jk3 n TYR 121 Cb 1.68 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 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 0.45 0.00 -0.19 -0.72 3.72 -0.26 -2.58 117.46 117.88 2jk3 n PHE 122 Ca 0.17 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.57 2jk3 n PHE 122 Cb 0.68 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.24 2jk3 n PHE 122 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2jk3 n ILE 123 N -1.32 -0.26 -0.07 4.37 5.41 -1.11 -0.83 119.36 125.55 2jk3 n ILE 123 Ca 0.00 1.15 -0.11 0.00 1.00 0.00 0.00 62.75 64.79 2jk3 n ILE 123 Cb 0.00 -1.53 -0.05 0.00 -0.71 0.00 0.00 39.64 37.35 2jk3 n ILE 123 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2jk3 h GLY 124 N 0.00 0.39 0.06 7.39 0.00 -1.90 -2.92 103.07 106.09 2jk3 h GLY 124 Ca 0.17 -0.29 0.15 0.00 0.00 0.00 0.00 47.33 47.37 2jk3 h GLY 124 CO -0.49 0.26 0.27 0.23 0.00 0.00 0.00 176.54 176.82 2jk3 h SER 125 N 0.13 0.21 1.53 0.19 0.87 -1.32 -2.75 113.55 112.42 2jk3 h SER 125 Ca 0.06 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2jk3 h SER 125 Cb 0.39 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2jk3 h SER 125 CO 0.01 0.06 -0.05 -0.26 -0.53 0.00 0.00 176.83 176.05 2jk3 h PHE 126 N 0.39 0.00 0.00 2.24 0.04 -1.30 -2.43 116.94 115.88 2jk3 h PHE 126 Ca 0.43 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.07 2jk3 h PHE 126 Cb 0.68 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 2jk3 h PHE 126 CO -0.19 0.00 -0.60 0.93 -0.60 0.00 0.00 178.31 177.85 2jk3 h GLU 127 N 0.00 0.00 0.04 1.51 5.08 -1.45 -2.67 114.58 117.09 2jk3 h GLU 127 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jk3 h GLU 127 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2jk3 h GLU 127 CO 0.00 0.60 -0.02 0.37 -1.00 0.00 0.00 179.01 178.96 2jk3 h GLN 128 N 0.00 -0.06 -0.94 2.33 4.15 -1.49 -2.60 115.11 116.51 2jk3 h GLN 128 Ca -0.01 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.64 2jk3 h GLN 128 Cb 1.35 0.01 -0.17 0.00 0.21 0.00 0.00 27.48 28.88 2jk3 h GLN 128 CO 0.08 0.58 -0.09 1.25 -1.93 0.00 0.00 178.83 178.72 2jk3 h LEU 129 N -0.90 -0.64 -0.49 -2.39 5.85 -1.52 0.21 115.31 115.43 2jk3 h LEU 129 Ca -0.01 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2jk3 h LEU 129 Cb 0.66 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2jk3 h LEU 129 CO 0.01 -0.31 0.32 0.50 -0.34 0.00 0.00 178.44 178.62 2jk3 h LYS 130 N 0.02 0.65 -0.63 1.25 3.64 -1.49 -0.92 116.57 119.10 2jk3 h LYS 130 Ca 0.51 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.81 2jk3 h LYS 130 Cb 0.92 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2jk3 h LYS 130 CO -0.91 0.44 0.24 0.93 -2.27 0.00 0.00 179.45 177.89 2jk3 h GLU 131 N 0.66 0.95 0.09 1.90 5.08 -0.24 -1.67 114.58 121.35 2jk3 h GLU 131 Ca 0.18 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jk3 h GLU 131 Cb -0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2jk3 h GLU 131 CO -0.04 0.80 -0.04 0.82 -1.00 0.00 0.00 179.01 179.55 2jk3 h ILE 132 N 0.88 0.93 -0.71 3.13 2.04 -0.92 0.08 117.51 122.94 2jk3 h ILE 132 Ca 0.21 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 66.11 2jk3 h ILE 132 Cb 0.22 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 2jk3 h ILE 132 CO -0.02 0.02 0.32 -0.07 0.00 0.00 0.00 178.15 178.40 2jk3 h LEU 133 N -0.15 0.38 -0.50 1.44 3.38 -1.04 -0.65 115.31 118.17 2jk3 h LEU 133 Ca -0.01 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 2jk3 h LEU 133 Cb 0.12 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jk3 h LEU 133 CO 0.02 0.20 -0.66 1.56 0.09 0.00 0.00 178.44 179.66 2jk3 h GLN 134 N 0.53 0.38 -0.63 1.13 4.20 -0.91 -1.19 115.11 118.62 2jk3 h GLN 134 Ca 0.36 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2jk3 h GLN 134 Cb 0.43 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2jk3 h GLN 134 CO -0.31 0.91 0.22 1.49 -0.67 0.00 0.00 178.83 180.47 2jk3 h GLU 135 N 0.27 0.96 -0.15 1.46 4.57 -0.58 -2.62 114.58 118.50 2jk3 h GLU 135 Ca -0.02 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 57.84 2jk3 h GLU 135 Cb 1.21 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2jk3 h GLU 135 CO 0.11 0.84 -0.46 0.78 -1.18 0.00 0.00 179.01 179.10 2jk3 h GLY 136 N 0.89 0.41 0.98 1.92 0.00 -0.61 -0.84 103.07 105.81 2jk3 h GLY 136 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2jk3 h GLY 136 CO -0.01 0.38 0.06 -2.09 0.00 0.00 0.00 176.54 174.88 2jk3 h GLU 137 N 0.30 0.13 0.00 4.80 4.81 -1.16 -0.40 114.58 123.07 2jk3 h GLU 137 Ca 0.02 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2jk3 h GLU 137 Cb 0.92 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2jk3 h GLU 137 CO 0.08 0.12 -0.11 0.87 -0.73 0.00 0.00 179.01 179.23 2jk3 h LYS 138 N 0.11 0.00 -0.01 1.92 1.57 -1.03 -0.04 116.57 119.08 2jk3 h LYS 138 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2jk3 h LYS 138 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2jk3 h LYS 138 CO -0.01 0.11 -0.03 1.04 -0.57 0.00 0.00 179.45 180.00 2jk3 n GLN 139 N -3.26 1.51 -1.13 3.15 6.02 -0.37 -4.93 117.38 118.36 2jk3 n GLN 139 Ca 0.00 -0.82 -0.05 0.00 -0.01 0.00 0.00 57.00 56.12 2jk3 n GLN 139 Cb 0.37 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 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 1.18 0.72 0.04 1.08 0.00 -0.03 -4.91 105.19 103.26 2jk3 n GLY 140 Ca 0.19 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.84 2jk3 n GLY 140 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jk3 n VAL 141 N -2.75 0.19 -4.94 1.61 0.24 -0.24 -4.90 118.33 107.54 2jk3 n VAL 141 Ca -0.05 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.34 61.75 2jk3 n VAL 141 Cb 0.21 0.17 -0.15 0.00 -1.47 0.00 0.00 33.84 32.60 2jk3 n VAL 141 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2jk3 s PHE 142 N -3.19 1.77 -0.10 6.34 0.08 -0.86 -4.04 117.98 117.98 2jk3 s PHE 142 Ca 0.04 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 2jk3 s PHE 142 Cb 0.14 -1.13 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2jk3 s PHE 142 CO 0.79 -0.02 -0.05 -1.01 -0.10 0.00 0.00 175.22 174.83 2jk3 s HIS 143 N -0.48 1.22 0.01 0.36 3.76 0.48 -4.07 115.29 116.57 2jk3 s HIS 143 Ca 0.08 -0.56 -0.24 0.00 -0.15 0.00 0.00 55.06 54.18 2jk3 s HIS 143 Cb -0.08 -1.10 0.05 0.00 1.11 0.00 0.00 32.58 32.57 2jk3 s HIS 143 CO -0.01 -0.46 0.54 -0.59 -0.85 0.00 0.00 174.74 173.38 2jk3 s PHE 144 N 1.79 -0.46 0.07 1.40 -0.12 -1.26 -4.76 117.98 114.64 2jk3 s PHE 144 Ca 0.05 0.66 -0.12 0.00 -0.05 0.00 0.00 56.93 57.47 2jk3 s PHE 144 Cb -0.12 0.33 -0.26 0.00 -0.63 0.00 0.00 43.02 42.33 2jk3 s PHE 144 CO -0.07 -0.59 1.13 0.35 -0.05 0.00 0.00 175.22 175.99 2jk3 h PHE 145 N 3.03 0.89 -3.30 3.49 3.57 -2.03 -3.45 116.94 119.15 2jk3 h PHE 145 Ca -0.29 -0.57 -0.44 0.00 3.53 0.00 0.00 57.97 60.20 2jk3 h PHE 145 Cb 1.18 -0.07 -0.37 0.00 2.79 0.00 0.00 35.95 39.49 2jk3 h PHE 145 CO 0.39 1.41 -0.77 0.45 -2.23 0.00 0.00 178.31 177.56 2jk3 s SER 146 N -7.35 1.51 0.23 0.41 0.15 -1.26 -5.01 113.70 102.37 2jk3 s SER 146 Ca -0.08 -0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.36 2jk3 s SER 146 Cb 0.06 -0.50 0.22 0.00 -1.71 0.00 0.00 66.02 64.09 2jk3 s SER 146 CO 0.92 -0.14 1.90 -0.29 1.20 0.00 0.00 173.24 176.82 2jk3 h ILE 147 N 6.25 1.20 -0.20 6.45 6.09 -1.99 -0.74 117.51 134.57 2jk3 h ILE 147 Ca -0.26 -0.40 -0.16 0.00 -1.37 0.00 0.00 64.86 62.67 2jk3 h ILE 147 Cb 1.13 -0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.37 2jk3 h ILE 147 CO 0.34 0.21 -0.49 0.78 -3.07 0.00 0.00 178.15 175.92 2jk3 h ASN 148 N 1.16 0.79 -0.71 2.19 -0.26 -1.99 -0.84 115.58 115.91 2jk3 h ASN 148 Ca 0.33 -0.57 -0.02 0.00 -0.56 0.00 0.00 56.30 55.48 2jk3 h ASN 148 Cb -0.10 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 36.89 2jk3 h ASN 148 CO -0.08 1.21 0.37 -0.74 -1.06 0.00 0.00 177.43 177.13 2jk3 h HIS 149 N 0.40 1.01 -0.55 1.19 2.76 -1.96 -1.58 115.15 116.42 2jk3 h HIS 149 Ca -0.00 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.03 2jk3 h HIS 149 Cb 1.10 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 2jk3 h HIS 149 CO 0.09 0.72 -0.08 1.15 -1.30 0.00 0.00 177.93 178.52 2jk3 h THR 150 N 1.02 1.27 -0.82 6.26 2.02 -0.96 -2.35 112.91 119.35 2jk3 h THR 150 Ca 0.25 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 2jk3 h THR 150 Cb 0.07 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2jk3 h THR 150 CO -0.04 0.44 0.40 0.40 0.37 0.00 0.00 175.52 177.09 2jk3 h ILE 151 N 0.90 1.26 -0.02 3.11 2.04 -0.89 -1.63 117.51 122.28 2jk3 h ILE 151 Ca 0.15 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2jk3 h ILE 151 Cb 0.64 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2jk3 h ILE 151 CO 0.04 0.31 0.01 -0.74 0.00 0.00 0.00 178.15 177.77 2jk3 h HIS 152 N 1.17 0.02 0.00 1.37 2.76 -1.08 0.16 115.15 119.55 2jk3 h HIS 152 Ca 0.28 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.29 2jk3 h HIS 152 Cb 0.11 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 2jk3 h HIS 152 CO 0.01 0.04 -0.76 0.11 -1.30 0.00 0.00 177.93 176.04 2jk3 h TRP 153 N 0.00 0.00 -0.11 5.26 5.08 -1.32 -2.53 115.95 122.33 2jk3 h TRP 153 Ca 0.01 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 2jk3 h TRP 153 Cb 0.02 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.18 2jk3 h TRP 153 CO -0.07 0.76 0.02 0.82 -1.28 0.00 0.00 178.44 178.69 2jk3 h ILE 154 N 0.00 1.22 -0.24 0.12 2.04 -1.09 -2.30 117.51 117.25 2jk3 h ILE 154 Ca -0.01 -0.68 -0.11 0.00 1.00 0.00 0.00 64.86 65.06 2jk3 h ILE 154 Cb 1.57 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2jk3 h ILE 154 CO 0.10 0.20 -0.34 0.71 0.00 0.00 0.00 178.15 178.82 2jk3 h THR 155 N -0.05 1.29 -0.43 -0.27 1.35 -0.98 -1.35 112.91 112.47 2jk3 h THR 155 Ca 0.03 -1.44 0.05 0.00 -0.55 0.00 0.00 66.41 64.50 2jk3 h THR 155 Cb 0.29 1.47 -0.04 0.00 -1.73 0.00 0.00 68.15 68.14 2jk3 h THR 155 CO 0.00 0.45 0.18 -1.28 -0.25 0.00 0.00 175.52 174.63 2jk3 h SER 156 N 0.43 0.23 1.28 5.36 0.87 -1.45 -1.51 113.55 118.77 2jk3 h SER 156 Ca 0.05 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 2jk3 h SER 156 Cb 0.80 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 2jk3 h SER 156 CO 0.06 0.17 -0.75 0.16 -0.53 0.00 0.00 176.83 175.95 2jk3 h ILE 157 N 0.37 0.84 0.00 2.23 3.07 -1.16 -3.22 117.51 119.65 2jk3 h ILE 157 Ca 0.19 -2.26 -0.19 0.00 1.55 0.00 0.00 64.86 64.16 2jk3 h ILE 157 Cb 0.15 2.37 -0.03 0.00 -0.27 0.00 0.00 36.82 39.04 2jk3 h ILE 157 CO -0.17 0.48 -0.89 -0.37 -1.05 0.00 0.00 178.15 176.15 2jk3 h VAL 158 N 0.00 1.63 0.00 0.16 -1.51 -1.11 -3.29 116.25 112.13 2jk3 h VAL 158 Ca -0.04 -3.01 0.00 0.00 -1.23 0.00 0.00 66.70 62.42 2jk3 h VAL 158 Cb 1.46 2.63 0.00 0.00 -2.13 0.00 0.00 31.29 33.25 2jk3 h VAL 158 CO 0.07 0.86 -0.25 -0.11 -1.23 0.00 0.00 177.57 176.90 2jk3 n LEU 159 N -3.50 0.77 -3.19 4.19 7.94 -0.58 -4.20 117.00 118.44 2jk3 n LEU 159 Ca -0.01 0.43 -0.22 0.00 -1.11 0.00 0.00 56.01 55.11 2jk3 n LEU 159 Cb 0.84 -0.26 -0.05 0.00 0.53 0.00 0.00 43.42 44.48 2jk3 n LEU 159 CO 0.46 -0.13 -0.21 0.49 -1.11 0.00 0.00 177.39 176.89 2jk3 n PHE 160 N -2.20 0.52 0.34 1.96 3.72 -1.21 -4.69 117.46 115.89 2jk3 n PHE 160 Ca 0.05 -3.75 0.12 0.00 -0.05 0.00 0.00 57.45 53.81 2jk3 n PHE 160 Cb 0.43 -0.41 0.52 0.00 -0.94 0.00 0.00 39.48 39.08 2jk3 n PHE 160 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jk3 n PRO 161 N 0.74 0.18 0.16 -1.08 -0.04 -1.24 -1.89 135.00 131.83 2jk3 n PRO 161 Ca 0.24 0.48 0.01 0.00 -0.04 0.00 0.00 63.50 64.19 2jk3 n PRO 161 Cb 0.57 -1.90 0.31 0.00 -0.04 0.00 0.00 33.50 32.44 2jk3 n PRO 161 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2jk3 h LYS 162 N 0.00 0.05 -0.92 0.54 1.79 -1.93 -2.83 116.57 113.26 2jk3 h LYS 162 Ca 0.00 -0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.61 2jk3 h LYS 162 Cb 0.28 -0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.83 2jk3 h LYS 162 CO 0.00 0.44 0.52 0.35 -1.08 0.00 0.00 179.45 179.68 2jk3 h PHE 163 N 0.04 0.91 -0.80 -1.35 3.57 -1.75 -0.67 116.94 116.89 2jk3 h PHE 163 Ca 0.00 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.66 2jk3 h PHE 163 Cb 0.73 -0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.12 2jk3 h PHE 163 CO 0.00 0.24 0.40 -0.22 -2.23 0.00 0.00 178.31 176.50 2jk3 h LYS 164 N 0.72 0.58 -0.14 1.11 3.64 -1.67 -0.34 116.57 120.47 2jk3 h LYS 164 Ca 0.50 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.67 2jk3 h LYS 164 Cb 0.70 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2jk3 h LYS 164 CO -0.35 0.39 -0.63 -0.22 -2.27 0.00 0.00 179.45 176.36 2jk3 h LYS 165 N 0.60 0.51 -0.24 1.90 3.64 -1.24 0.91 116.57 122.65 2jk3 h LYS 165 Ca 0.42 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2jk3 h LYS 165 Cb 0.56 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2jk3 h LYS 165 CO -0.34 0.98 0.07 0.35 -2.27 0.00 0.00 179.45 178.24 2jk3 h PHE 166 N 0.37 0.39 0.01 1.91 3.57 -1.08 -1.64 116.94 120.47 2jk3 h PHE 166 Ca -0.01 -0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.24 2jk3 h PHE 166 Cb 1.19 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2jk3 h PHE 166 CO 0.05 0.46 -0.95 0.97 -2.23 0.00 0.00 178.31 176.60 2jk3 h ILE 167 N 0.22 1.64 0.00 1.41 6.09 -0.86 -2.97 117.51 123.03 2jk3 h ILE 167 Ca 0.08 -3.12 -0.10 0.00 -1.37 0.00 0.00 64.86 60.35 2jk3 h ILE 167 Cb 0.25 2.71 -0.01 0.00 0.47 0.00 0.00 36.82 40.24 2jk3 h ILE 167 CO -0.00 0.89 -0.49 0.44 -3.07 0.00 0.00 178.15 175.92 2jk3 h ASP 168 N 0.02 0.00 -0.75 2.19 3.32 -0.88 -3.51 116.42 116.80 2jk3 h ASP 168 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2jk3 h ASP 168 Cb 1.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.21 2jk3 h ASP 168 CO 0.13 0.49 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2jk3 n GLY 169 N 0.43 0.00 0.00 2.75 0.00 -0.62 -5.08 105.19 102.67 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 -1.14 0.00 0.00 0.00 173.32 172.18 2jk3 n SER 173 N 0.85 0.00 -3.87 1.61 3.41 -1.26 -5.02 113.62 109.34 2jk3 n SER 173 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2jk3 n SER 173 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2jk3 n SER 173 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jk3 s SER 174 N 0.00 0.05 0.48 4.04 0.15 -1.26 -5.16 113.70 112.00 2jk3 s SER 174 Ca 0.00 -0.31 -0.23 0.00 0.70 0.00 0.00 55.95 56.10 2jk3 s SER 174 Cb 0.00 0.24 -0.07 0.00 -1.71 0.00 0.00 66.02 64.48 2jk3 s SER 174 CO 0.00 -0.46 1.28 -0.83 1.20 0.00 0.00 173.24 174.43 2jk3 s GLY 175 N -1.74 2.86 0.17 9.45 0.00 -1.26 -4.81 107.32 111.99 2jk3 s GLY 175 Ca -0.10 1.18 -0.15 0.00 0.00 0.00 0.00 44.72 45.65 2jk3 s GLY 175 CO -0.01 1.70 1.75 -2.00 0.00 0.00 0.00 173.10 174.53 2jk3 h LEU 176 N 2.02 0.13 0.28 0.66 5.85 -2.01 0.32 115.31 122.56 2jk3 h LEU 176 Ca -0.50 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2jk3 h LEU 176 Cb 1.27 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2jk3 h LEU 176 CO 0.60 0.11 -0.14 0.58 -0.34 0.00 0.00 178.44 179.25 2jk3 h VAL 177 N 0.29 0.75 -0.84 1.05 2.07 -1.94 -2.02 116.25 115.61 2jk3 h VAL 177 Ca 0.20 -0.55 0.21 0.00 0.82 0.00 0.00 66.70 67.38 2jk3 h VAL 177 Cb 0.20 1.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.88 2jk3 h VAL 177 CO -0.21 0.11 0.22 -1.28 0.02 0.00 0.00 177.57 176.43 2jk3 h SER 178 N -0.68 0.01 0.05 0.57 0.87 -1.92 -0.65 113.55 111.79 2jk3 h SER 178 Ca -0.04 0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 2jk3 h SER 178 Cb 0.47 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2jk3 h SER 178 CO 0.06 -0.11 -0.30 0.03 -0.53 0.00 0.00 176.83 175.98 2jk3 h ARG 179 N 0.24 0.38 -0.24 2.24 3.08 -0.19 -0.93 114.38 118.96 2jk3 h ARG 179 Ca 0.51 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 60.21 2jk3 h ARG 179 Cb 0.97 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2jk3 h ARG 179 CO -0.61 0.65 -0.61 0.82 -1.07 0.00 0.00 179.97 179.15 2jk3 h ILE 180 N 0.33 1.28 -0.20 2.04 2.04 -0.41 -1.23 117.51 121.37 2jk3 h ILE 180 Ca 0.04 -1.81 -0.08 0.00 1.00 0.00 0.00 64.86 64.02 2jk3 h ILE 180 Cb 0.70 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2jk3 h ILE 180 CO 0.05 0.58 -0.18 0.40 0.00 0.00 0.00 178.15 179.00 2jk3 h ILE 181 N 0.61 1.33 0.00 -0.67 2.04 -0.96 -1.64 117.51 118.20 2jk3 h ILE 181 Ca -0.00 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 2jk3 h ILE 181 Cb 1.22 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2jk3 h ILE 181 CO 0.13 0.40 -0.02 0.28 0.00 0.00 0.00 178.15 178.95 2jk3 h SER 182 N 0.14 0.00 -0.36 1.72 0.02 -1.15 0.35 113.55 114.27 2jk3 h SER 182 Ca 0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 2jk3 h SER 182 Cb 0.72 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2jk3 h SER 182 CO 0.05 0.02 -0.27 0.00 -1.14 0.00 0.00 176.83 175.48 2jk3 h ALA 183 N 1.98 0.74 0.21 3.77 0.00 -0.25 0.39 119.26 126.09 2jk3 h ALA 183 Ca -0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 2jk3 h ALA 183 Cb 0.03 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.71 2jk3 h ALA 183 CO 0.00 0.66 -1.39 -0.07 0.00 0.00 0.00 179.25 178.45 2jk3 h LEU 184 N 0.74 0.81 0.00 0.00 3.38 -1.01 -3.28 115.31 115.96 2jk3 h LEU 184 Ca 0.09 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2jk3 h LEU 184 Cb 0.83 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jk3 h LEU 184 CO 0.07 1.65 -0.45 0.71 0.09 0.00 0.00 178.44 180.51 2jk3 h THR 185 N 0.18 0.00 -5.15 0.22 1.35 -0.99 0.14 112.91 108.66 2jk3 h THR 185 Ca -0.23 -0.60 -0.38 0.00 -0.55 0.00 0.00 66.41 64.66 2jk3 h THR 185 Cb 2.08 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 69.78 2jk3 h THR 185 CO 0.26 0.00 -0.55 -0.67 -0.25 0.00 0.00 175.52 174.30 2jk3 n ASP 186 N -2.32 -4.26 -4.16 5.36 2.03 0.12 -4.93 116.55 108.39 2jk3 n ASP 186 Ca 0.04 -0.33 -0.12 0.00 0.52 0.00 0.00 54.79 54.89 2jk3 n ASP 186 Cb 0.46 -3.51 -0.10 0.00 -0.72 0.00 0.00 41.12 37.25 2jk3 n ASP 186 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jk3 s LYS 187 N -5.89 0.81 0.22 -0.67 1.02 -1.24 -5.06 119.74 108.94 2jk3 s LYS 187 Ca 0.36 -1.24 -0.32 0.00 0.02 0.00 0.00 55.97 54.79 2jk3 s LYS 187 Cb -0.18 -0.30 -0.14 0.00 -0.52 0.00 0.00 37.83 36.69 2jk3 s LYS 187 CO 0.44 0.01 1.44 -2.30 -0.92 0.00 0.00 175.35 174.02 2jk3 n PRO 188 N 0.24 2.04 -2.22 -1.68 -0.02 -1.26 -4.42 135.00 127.68 2jk3 n PRO 188 Ca -0.14 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2jk3 n PRO 188 Cb 0.59 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2jk3 n PRO 188 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2jk3 s ASN 189 N 0.42 6.82 0.00 2.55 2.47 -1.26 -4.99 114.94 120.95 2jk3 s ASN 189 Ca 0.71 2.00 0.00 0.00 0.42 0.00 0.00 52.86 55.98 2jk3 s ASN 189 Cb -0.66 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 36.60 2jk3 s ASN 189 CO 0.47 -0.81 0.00 0.00 -3.72 0.00 0.00 177.10 173.05