#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c0k s ASN 2 N 0.00 5.13 0.42 6.12 2.20 -1.26 -0.61 114.94 126.94 2c0k s ASN 2 Ca 0.00 1.19 0.22 0.00 -0.94 0.00 0.00 52.86 53.33 2c0k s ASN 2 Cb 0.00 -1.96 0.85 0.00 -2.00 0.00 0.00 41.25 38.13 2c0k s ASN 2 CO 0.00 -1.55 1.80 0.77 -2.94 0.00 0.00 177.10 175.18 2c0k h SER 3 N -0.80 0.00 -0.25 3.54 4.64 -1.98 -0.08 113.55 118.61 2c0k h SER 3 Ca -0.46 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 2c0k h SER 3 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2c0k h SER 3 CO 0.62 0.28 -0.18 -0.08 -0.87 0.00 0.00 176.83 176.60 2c0k h GLU 4 N 0.00 0.70 -0.40 4.77 4.81 -2.00 -1.79 114.58 120.67 2c0k h GLU 4 Ca -0.00 -0.26 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 2c0k h GLU 4 Cb 0.78 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2c0k h GLU 4 CO 0.04 0.84 -0.10 0.93 -0.73 0.00 0.00 179.01 179.99 2c0k h GLU 5 N 0.63 0.71 -0.41 1.92 5.08 -1.41 -2.52 114.58 118.57 2c0k h GLU 5 Ca 0.10 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2c0k h GLU 5 Cb 0.66 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2c0k h GLU 5 CO 0.05 0.79 0.10 0.28 -1.00 0.00 0.00 179.01 179.23 2c0k h VAL 6 N 0.65 1.23 -0.46 3.13 2.07 -1.02 -2.85 116.25 119.00 2c0k h VAL 6 Ca 0.11 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.88 2c0k h VAL 6 Cb 0.55 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2c0k h VAL 6 CO 0.03 0.28 0.21 -1.13 0.02 0.00 0.00 177.57 176.98 2c0k h ASN 7 N 0.53 0.28 -0.12 0.57 -1.24 -1.22 -2.41 115.58 111.98 2c0k h ASN 7 Ca 0.13 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 2c0k h ASN 7 Cb 0.32 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 2c0k h ASN 7 CO 0.00 0.20 0.06 0.44 -1.29 0.00 0.00 177.43 176.84 2c0k h ASP 8 N 0.42 0.15 -0.37 1.15 3.32 -1.38 0.52 116.42 120.23 2c0k h ASP 8 Ca 0.20 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.20 2c0k h ASP 8 Cb 0.14 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2c0k h ASP 8 CO -0.16 0.21 0.13 0.40 -1.72 0.00 0.00 179.24 178.10 2c0k h ILE 9 N 0.08 0.90 0.38 0.35 2.04 -1.42 0.78 117.51 120.62 2c0k h ILE 9 Ca 0.04 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2c0k h ILE 9 Cb 0.09 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2c0k h ILE 9 CO -0.01 0.05 -0.18 0.11 0.00 0.00 0.00 178.15 178.12 2c0k h LYS 10 N 0.29 -0.49 -0.07 2.37 1.57 -1.26 -0.70 116.57 118.28 2c0k h LYS 10 Ca 0.17 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2c0k h LYS 10 Cb 0.14 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2c0k h LYS 10 CO -0.17 -0.26 -0.08 0.00 -0.57 0.00 0.00 179.45 178.37 2c0k h ARG 11 N -0.64 -0.05 -0.66 3.15 3.08 -0.78 -2.69 114.38 115.79 2c0k h ARG 11 Ca -0.05 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2c0k h ARG 11 Cb 0.46 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 2c0k h ARG 11 CO 0.09 -0.04 0.43 1.79 -1.07 0.00 0.00 179.97 181.17 2c0k h THR 12 N -0.05 1.09 -0.09 2.04 1.35 -0.88 -2.55 112.91 113.82 2c0k h THR 12 Ca 0.01 -0.27 -0.08 0.00 -0.55 0.00 0.00 66.41 65.52 2c0k h THR 12 Cb 0.09 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 2c0k h THR 12 CO -0.09 0.14 -0.31 -0.25 -0.25 0.00 0.00 175.52 174.76 2c0k h TRP 13 N 0.78 0.19 -0.43 4.73 2.91 -1.01 -2.60 115.95 120.52 2c0k h TRP 13 Ca 0.26 -0.04 0.10 0.00 1.13 0.00 0.00 58.89 60.35 2c0k h TRP 13 Cb 0.07 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 2c0k h TRP 13 CO -0.00 0.46 0.30 0.93 -1.03 0.00 0.00 178.44 179.11 2c0k h GLU 14 N 0.15 0.12 -0.65 2.65 4.39 -1.11 0.53 114.58 120.66 2c0k h GLU 14 Ca 0.02 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2c0k h GLU 14 Cb 0.62 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2c0k h GLU 14 CO 0.05 0.08 0.28 0.28 -1.16 0.00 0.00 179.01 178.54 2c0k h VAL 15 N 0.13 1.23 -0.22 3.13 2.07 -1.59 -2.83 116.25 118.17 2c0k h VAL 15 Ca 0.20 -0.69 -0.19 0.00 0.82 0.00 0.00 66.70 66.85 2c0k h VAL 15 Cb 0.64 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2c0k h VAL 15 CO -0.02 0.28 -0.61 0.58 0.02 0.00 0.00 177.57 177.81 2c0k h VAL 16 N 0.90 1.29 0.00 2.57 2.07 -1.04 -3.17 116.25 118.87 2c0k h VAL 16 Ca 0.22 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2c0k h VAL 16 Cb 0.17 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2c0k h VAL 16 CO -0.02 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.15 2c0k n ALA 17 N -2.56 1.88 0.27 1.67 0.00 -0.52 -2.09 120.51 119.16 2c0k n ALA 17 Ca -0.05 -0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.54 2c0k n ALA 17 Cb 0.66 -1.36 0.72 0.00 0.00 0.00 0.00 19.45 19.46 2c0k n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c0k h ALA 18 N 2.52 1.04 -1.38 0.00 0.00 -1.47 -3.35 119.26 116.62 2c0k h ALA 18 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.45 2c0k h ALA 18 Cb 0.41 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 17.84 2c0k h ALA 18 CO 0.00 0.07 -1.05 0.36 0.00 0.00 0.00 179.25 178.64 2c0k n LYS 19 N -3.22 1.03 -0.33 0.00 2.85 -0.89 -5.00 118.16 112.60 2c0k n LYS 19 Ca -0.00 -3.06 0.10 0.00 -1.05 0.00 0.00 58.31 54.30 2c0k n LYS 19 Cb 0.29 -1.42 0.27 0.00 -0.65 0.00 0.00 35.03 33.52 2c0k n LYS 19 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 2c0k h MET 20 N 2.95 0.70 -0.08 -1.58 2.86 -1.70 -0.97 114.93 117.11 2c0k h MET 20 Ca 0.01 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 2c0k h MET 20 Cb 1.05 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.56 2c0k h MET 20 CO 0.42 0.46 -0.52 1.15 1.06 0.00 0.00 176.91 179.48 2c0k h THR 21 N 0.72 1.38 -0.17 2.22 2.02 -1.92 -1.32 112.91 115.84 2c0k h THR 21 Ca 0.52 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 2c0k h THR 21 Cb 0.76 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 2c0k h THR 21 CO -0.37 0.56 0.10 -0.08 0.37 0.00 0.00 175.52 176.10 2c0k h GLU 22 N 0.07 0.23 -0.05 6.66 4.81 -1.81 -2.08 114.58 122.42 2c0k h GLU 22 Ca -0.04 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2c0k h GLU 22 Cb 1.18 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2c0k h GLU 22 CO 0.11 0.21 -0.22 0.00 -0.73 0.00 0.00 179.01 178.38 2c0k h ALA 23 N 1.00 1.54 0.03 2.92 0.00 -1.21 -2.35 119.26 121.20 2c0k h ALA 23 Ca 0.06 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 2c0k h ALA 23 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2c0k h ALA 23 CO -0.01 0.34 -1.03 0.78 0.00 0.00 0.00 179.25 179.32 2c0k h GLY 24 N 0.77 0.08 1.47 0.00 0.00 -1.09 -1.84 103.07 102.47 2c0k h GLY 24 Ca 0.01 -0.21 -0.24 0.00 0.00 0.00 0.00 47.33 46.90 2c0k h GLY 24 CO 0.03 0.18 -0.98 -2.08 0.00 0.00 0.00 176.54 173.69 2c0k h VAL 25 N 0.02 1.38 -0.82 4.60 2.07 -1.24 -1.90 116.25 120.36 2c0k h VAL 25 Ca -0.04 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.05 2c0k h VAL 25 Cb 1.78 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 33.94 2c0k h VAL 25 CO 0.15 0.73 0.48 -0.08 0.02 0.00 0.00 177.57 178.86 2c0k h GLU 26 N 0.26 1.12 0.88 1.57 4.57 -1.45 -1.64 114.58 119.89 2c0k h GLU 26 Ca -0.09 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 57.93 2c0k h GLU 26 Cb 1.62 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 29.99 2c0k h GLU 26 CO 0.17 0.80 -0.42 1.98 -1.18 0.00 0.00 179.01 180.36 2c0k h MET 27 N 1.12 -1.14 -0.96 1.92 4.05 -1.24 -2.00 114.93 116.68 2c0k h MET 27 Ca 0.29 0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.85 2c0k h MET 27 Cb -0.02 0.26 -0.06 0.00 -0.80 0.00 0.00 31.60 30.98 2c0k h MET 27 CO -0.05 -0.76 0.62 -0.07 0.23 0.00 0.00 176.91 176.88 2c0k h LEU 28 N -1.23 1.00 -0.05 3.39 3.38 -1.37 0.11 115.31 120.54 2c0k h LEU 28 Ca -0.12 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2c0k h LEU 28 Cb 0.91 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2c0k h LEU 28 CO 0.20 0.65 -0.47 0.50 0.09 0.00 0.00 178.44 179.41 2c0k h LYS 29 N 1.14 -0.56 -0.59 1.13 3.64 -1.28 -2.74 116.57 117.31 2c0k h LYS 29 Ca 0.41 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.73 2c0k h LYS 29 Cb 0.14 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2c0k h LYS 29 CO -0.15 -0.37 -0.01 0.00 -2.27 0.00 0.00 179.45 176.65 2c0k h ARG 30 N -0.58 1.04 -0.57 1.90 3.08 -0.68 -2.60 114.38 115.96 2c0k h ARG 30 Ca 0.04 -0.34 0.07 0.00 0.07 0.00 0.00 59.98 59.83 2c0k h ARG 30 Cb 0.67 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 2c0k h ARG 30 CO -0.37 1.03 0.25 -0.92 -1.07 0.00 0.00 179.97 178.89 2c0k h TYR 31 N 0.94 0.44 0.00 3.04 3.20 -0.64 0.27 116.97 124.22 2c0k h TYR 31 Ca 0.17 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.83 2c0k h TYR 31 Cb 0.57 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 2c0k h TYR 31 CO 0.04 0.16 -1.21 0.74 -1.64 0.00 0.00 178.16 176.26 2c0k h PHE 32 N 0.46 0.00 -0.29 -3.82 0.04 -1.54 0.62 116.94 112.40 2c0k h PHE 32 Ca 0.27 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.04 2c0k h PHE 32 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2c0k h PHE 32 CO -0.14 0.99 0.18 -0.22 -0.60 0.00 0.00 178.31 178.52 2c0k h LYS 33 N 0.00 0.40 0.15 1.51 1.63 -1.02 -2.59 116.57 116.65 2c0k h LYS 33 Ca -0.09 -0.04 -0.30 0.00 -0.85 0.00 0.00 60.65 59.37 2c0k h LYS 33 Cb 1.84 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 33.39 2c0k h LYS 33 CO 0.11 0.31 -1.39 -0.22 -3.45 0.00 0.00 179.45 174.82 2c0k h LYS 34 N 0.37 0.33 -2.10 1.90 3.64 -0.50 -3.40 116.57 116.81 2c0k h LYS 34 Ca 0.11 -0.56 -0.57 0.00 -1.27 0.00 0.00 60.65 58.36 2c0k h LYS 34 Cb 0.02 0.21 -0.41 0.00 -0.41 0.00 0.00 32.23 31.64 2c0k h LYS 34 CO -0.02 1.24 -0.89 0.66 -2.27 0.00 0.00 179.45 178.18 2c0k n TYR 35 N -3.55 1.60 0.37 1.91 4.01 0.21 -4.98 117.16 116.73 2c0k n TYR 35 Ca -0.13 -3.85 0.13 0.00 -0.16 0.00 0.00 57.90 53.89 2c0k n TYR 35 Cb 1.05 -0.45 0.54 0.00 -0.31 0.00 0.00 39.34 40.17 2c0k n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2c0k h PRO 36 N 3.83 0.00 0.00 -0.72 0.13 -1.66 -2.33 132.00 131.25 2c0k h PRO 36 Ca 0.13 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2c0k h PRO 36 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2c0k h PRO 36 CO 0.64 0.00 -0.18 1.12 -0.23 0.00 0.00 178.00 179.35 2c0k h HIS 37 N 0.00 0.00 0.00 1.56 2.07 -1.94 -1.97 115.15 114.88 2c0k h HIS 37 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2c0k h HIS 37 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 2c0k h HIS 37 CO 0.00 0.18 0.00 -0.91 -3.07 0.00 0.00 177.93 174.13 2c0k h ASN 38 N 0.00 0.00 0.00 3.10 -0.26 -1.79 -1.75 115.58 114.89 2c0k h ASN 38 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2c0k h ASN 38 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 2c0k h ASN 38 CO 0.02 0.00 0.28 0.25 -1.06 0.00 0.00 177.43 176.92 2c0k h LEU 39 N 0.00 0.00 -0.00 1.61 5.85 -1.55 -1.51 115.31 119.71 2c0k h LEU 39 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2c0k h LEU 39 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2c0k h LEU 39 CO 0.00 0.00 -0.06 0.59 -0.34 0.00 0.00 178.44 178.63 2c0k n ASN 40 N -2.46 0.07 -1.00 1.25 3.02 -0.66 -2.07 115.26 113.42 2c0k n ASN 40 Ca -0.01 0.35 0.12 0.00 -0.03 0.00 0.00 54.58 55.01 2c0k n ASN 40 Cb 0.31 -0.39 0.23 0.00 -0.61 0.00 0.00 39.78 39.33 2c0k n ASN 40 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2c0k n HIS 41 N -1.48 0.35 -3.43 3.10 8.25 -0.57 -4.54 115.22 116.90 2c0k n HIS 41 Ca 0.07 -0.17 -0.26 0.00 -0.26 0.00 0.00 57.72 57.10 2c0k n HIS 41 Cb 0.33 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.35 2c0k n HIS 41 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2c0k n PHE 42 N 1.22 0.25 0.09 4.41 3.01 -0.88 -4.98 117.46 120.59 2c0k n PHE 42 Ca 0.18 -3.60 0.01 0.00 1.01 0.00 0.00 57.45 55.05 2c0k n PHE 42 Cb 0.55 -0.09 0.33 0.00 -0.01 0.00 0.00 39.48 40.26 2c0k n PHE 42 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2c0k h PRO 43 N 5.11 0.29 0.00 -1.08 0.11 -1.80 -2.30 132.00 132.33 2c0k h PRO 43 Ca 0.20 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 2c0k h PRO 43 Cb 0.86 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 2c0k h PRO 43 CO 0.49 0.47 -0.01 0.11 -0.21 0.00 0.00 178.00 178.85 2c0k h TRP 44 N 0.27 0.00 0.00 0.65 0.09 -1.93 -1.03 115.95 113.99 2c0k h TRP 44 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 58.98 2c0k h TRP 44 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.72 2c0k h TRP 44 CO 0.01 0.01 -0.84 0.74 0.09 0.00 0.00 178.44 178.44 2c0k h PHE 45 N 0.00 0.00 -0.56 0.12 0.04 -1.76 -3.35 116.94 111.44 2c0k h PHE 45 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2c0k h PHE 45 Cb 0.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 2c0k h PHE 45 CO 0.00 0.17 0.24 0.87 -0.60 0.00 0.00 178.31 178.99 2c0k h LYS 46 N 0.00 0.80 0.30 1.51 1.57 -1.09 -3.29 116.57 116.38 2c0k h LYS 46 Ca -0.03 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2c0k h LYS 46 Cb 1.16 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2c0k h LYS 46 CO 0.02 0.65 -0.15 0.93 -0.57 0.00 0.00 179.45 180.33 2c0k h GLU 47 N 0.80 -0.39 -6.01 3.15 5.08 -1.68 -3.43 114.58 112.09 2c0k h GLU 47 Ca 0.19 0.03 -0.82 0.00 -1.00 0.00 0.00 59.36 57.76 2c0k h GLU 47 Cb 0.13 0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.50 2c0k h GLU 47 CO -0.02 -0.26 0.34 -0.89 -1.00 0.00 0.00 179.01 177.18 2c0k n ILE 48 N -3.67 0.01 -1.91 3.13 2.08 -1.24 -4.89 119.36 112.85 2c0k n ILE 48 Ca -0.05 -0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.85 2c0k n ILE 48 Cb 0.16 -0.25 -0.01 0.00 -0.75 0.00 0.00 39.64 38.80 2c0k n ILE 48 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2c0k s PRO 49 N 1.31 4.15 0.60 0.38 0.04 -1.26 -4.88 135.00 135.34 2c0k s PRO 49 Ca 0.97 2.43 0.31 0.00 0.04 0.00 0.00 61.00 64.75 2c0k s PRO 49 Cb -1.35 -2.97 1.84 0.00 0.04 0.00 0.00 34.50 32.06 2c0k s PRO 49 CO 0.67 -0.44 2.21 0.27 0.04 0.00 0.00 177.00 179.75 2c0k h PHE 50 N 3.05 0.00 -0.10 0.56 -0.00 -1.90 -2.97 116.94 115.59 2c0k h PHE 50 Ca -0.50 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 57.25 2c0k h PHE 50 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 37.19 2c0k h PHE 50 CO 0.54 0.00 -0.81 -0.44 -0.00 0.00 0.00 178.31 177.60 2c0k h ASP 51 N 0.00 0.74 -0.78 -0.68 3.32 -2.02 -2.65 116.42 114.36 2c0k h ASP 51 Ca 0.03 -0.51 -0.42 0.00 0.02 0.00 0.00 57.03 56.15 2c0k h ASP 51 Cb 0.19 -0.22 -0.24 0.00 0.22 0.00 0.00 39.33 39.28 2c0k h ASP 51 CO -0.00 1.29 0.39 -0.90 -1.72 0.00 0.00 179.24 178.30 2c0k n ASP 52 N -3.87 3.59 0.10 6.45 5.68 -1.13 -4.48 116.55 122.89 2c0k n ASP 52 Ca -0.07 -3.69 -0.17 0.00 -0.50 0.00 0.00 54.79 50.36 2c0k n ASP 52 Cb 0.76 -0.77 -0.11 0.00 -1.14 0.00 0.00 41.12 39.85 2c0k n ASP 52 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2c0k h LEU 53 N 1.09 0.57 0.00 -2.12 5.85 -1.37 -3.31 115.31 116.02 2c0k h LEU 53 Ca 0.49 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2c0k h LEU 53 Cb 2.31 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 43.16 2c0k h LEU 53 CO 0.89 1.40 0.00 -0.81 -0.34 0.00 0.00 178.44 179.58 2c0k n PRO 54 N -3.65 0.44 -0.01 5.25 -0.04 -1.26 -1.76 135.00 133.97 2c0k n PRO 54 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2c0k n PRO 54 Cb 0.97 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.95 2c0k n PRO 54 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2c0k n GLU 55 N -0.99 1.66 -2.67 0.54 0.00 -1.25 -4.85 120.64 113.08 2c0k n GLU 55 Ca 0.10 -1.20 -0.42 0.00 0.00 0.00 0.00 57.16 55.64 2c0k n GLU 55 Cb 0.05 -1.02 -0.03 0.00 0.00 0.00 0.00 31.44 30.44 2c0k n GLU 55 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2c0k s ASN 56 N -0.68 7.33 0.37 -1.84 3.84 -0.72 -4.95 114.94 118.29 2c0k s ASN 56 Ca 0.01 1.71 0.15 0.00 0.21 0.00 0.00 52.86 54.94 2c0k s ASN 56 Cb 0.01 -2.57 1.00 0.00 -0.55 0.00 0.00 41.25 39.14 2c0k s ASN 56 CO 0.01 -0.29 1.77 0.00 -2.79 0.00 0.00 177.10 175.80 2c0k h ALA 57 N 6.81 2.06 0.00 1.71 0.00 -1.96 -1.47 119.26 126.41 2c0k h ALA 57 Ca -0.41 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2c0k h ALA 57 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2c0k h ALA 57 CO 0.76 -0.46 -1.79 -2.13 0.00 0.00 0.00 179.25 175.63 2c0k n ARG 58 N -4.68 0.65 0.07 0.00 0.63 -1.26 -1.98 116.66 110.08 2c0k n ARG 58 Ca 0.25 -0.07 -0.13 0.00 -0.92 0.00 0.00 57.85 56.98 2c0k n ARG 58 Cb 0.78 -1.61 -0.08 0.00 0.45 0.00 0.00 32.46 32.00 2c0k n ARG 58 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2c0k h PHE 59 N 0.00 -0.13 -0.21 -0.14 3.57 -1.66 -2.06 116.94 116.31 2c0k h PHE 59 Ca -0.09 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.45 2c0k h PHE 59 Cb 1.23 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.94 2c0k h PHE 59 CO 0.00 0.12 -0.44 0.87 -2.23 0.00 0.00 178.31 176.63 2c0k h LYS 60 N -0.38 -0.44 -0.51 1.11 1.57 -1.33 -2.54 116.57 114.06 2c0k h LYS 60 Ca -0.01 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2c0k h LYS 60 Cb 0.31 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2c0k h LYS 60 CO 0.02 -0.30 0.07 1.15 -0.57 0.00 0.00 179.45 179.83 2c0k h THR 61 N -0.46 1.23 -0.28 -0.16 2.02 -1.45 -2.56 112.91 111.26 2c0k h THR 61 Ca 0.09 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.26 2c0k h THR 61 Cb 0.62 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2c0k h THR 61 CO -0.45 0.33 -0.24 -0.74 0.37 0.00 0.00 175.52 174.78 2c0k h HIS 62 N 0.77 0.78 -0.64 3.16 -0.00 -1.30 -1.40 115.15 116.52 2c0k h HIS 62 Ca 0.16 -0.23 0.11 0.00 -0.00 0.00 0.00 60.37 60.42 2c0k h HIS 62 Cb 0.37 -0.17 -0.08 0.00 -0.00 0.00 0.00 27.41 27.52 2c0k h HIS 62 CO 0.02 0.95 0.19 0.78 -0.00 0.00 0.00 177.93 179.87 2c0k h GLY 63 N 0.39 0.87 1.01 5.26 0.00 -1.36 -2.21 103.07 107.03 2c0k h GLY 63 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2c0k h GLY 63 CO 0.06 -0.09 0.39 -0.84 0.00 0.00 0.00 176.54 176.07 2c0k h THR 64 N 0.34 1.23 -0.72 4.70 2.02 -1.17 -2.97 112.91 116.33 2c0k h THR 64 Ca 0.34 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2c0k h THR 64 Cb 0.48 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2c0k h THR 64 CO -0.38 0.25 0.43 0.03 0.37 0.00 0.00 175.52 176.22 2c0k h ARG 65 N 1.01 0.99 0.81 6.66 2.47 -0.76 -1.09 114.38 124.47 2c0k h ARG 65 Ca 0.26 -0.09 -0.04 0.00 -1.26 0.00 0.00 59.98 58.85 2c0k h ARG 65 Cb 0.05 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.17 2c0k h ARG 65 CO -0.04 0.71 -0.47 0.82 0.56 0.00 0.00 179.97 181.55 2c0k h ILE 66 N 0.99 0.05 -0.33 2.04 2.04 -1.26 -2.69 117.51 118.34 2c0k h ILE 66 Ca 0.26 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 2c0k h ILE 66 Cb -0.02 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 2c0k h ILE 66 CO -0.05 0.00 0.15 -0.07 0.00 0.00 0.00 178.15 178.18 2c0k h LEU 67 N -1.19 0.41 -1.54 1.44 -0.00 -1.49 -1.80 115.31 111.14 2c0k h LEU 67 Ca -0.11 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 57.70 2c0k h LEU 67 Cb 0.95 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 2c0k h LEU 67 CO 0.13 0.37 -0.11 -0.09 -0.00 0.00 0.00 178.44 178.74 2c0k h ARG 68 N 0.47 0.16 0.03 1.13 9.65 -1.10 0.37 114.38 125.08 2c0k h ARG 68 Ca 0.12 -0.03 -0.27 0.00 -1.10 0.00 0.00 59.98 58.70 2c0k h ARG 68 Cb 0.07 -0.02 0.02 0.00 -1.39 0.00 0.00 29.97 28.65 2c0k h ARG 68 CO -0.01 0.28 -1.05 0.37 2.80 0.00 0.00 179.97 182.35 2c0k h GLN 69 N 0.15 0.67 -0.92 0.20 4.15 -1.01 -2.99 115.11 115.36 2c0k h GLN 69 Ca 0.03 -0.75 0.11 0.00 0.77 0.00 0.00 58.65 58.81 2c0k h GLN 69 Cb 0.30 0.22 -0.08 0.00 0.21 0.00 0.00 27.48 28.13 2c0k h GLN 69 CO 0.02 1.33 0.55 0.28 -1.93 0.00 0.00 178.83 179.08 2c0k h VAL 70 N 0.33 0.90 -0.74 2.39 2.07 -0.93 -1.87 116.25 118.40 2c0k h VAL 70 Ca -0.14 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.16 2c0k h VAL 70 Cb 1.72 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 2c0k h VAL 70 CO 0.21 0.16 0.41 -0.78 0.02 0.00 0.00 177.57 177.59 2c0k h ASP 71 N 0.88 0.58 -0.19 0.57 3.58 -0.22 0.16 116.42 121.79 2c0k h ASP 71 Ca 0.46 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.87 2c0k h ASP 71 Cb 0.45 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 2c0k h ASP 71 CO -0.27 0.35 -0.13 -0.33 -2.88 0.00 0.00 179.24 175.99 2c0k h GLU 72 N 0.72 0.57 -0.16 0.28 5.08 -1.29 -1.85 114.58 117.93 2c0k h GLU 72 Ca 0.35 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2c0k h GLU 72 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2c0k h GLU 72 CO -0.22 0.69 0.10 0.78 -1.00 0.00 0.00 179.01 179.35 2c0k h GLY 73 N 0.95 0.23 1.01 -3.84 0.00 -0.22 -2.77 103.07 98.44 2c0k h GLY 73 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2c0k h GLY 73 CO 0.03 0.10 0.36 -2.08 0.00 0.00 0.00 176.54 174.95 2c0k h VAL 74 N 0.18 1.22 -0.59 4.60 2.07 -0.58 -2.25 116.25 120.90 2c0k h VAL 74 Ca 0.06 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2c0k h VAL 74 Cb 0.03 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2c0k h VAL 74 CO -0.01 0.25 0.38 0.11 0.02 0.00 0.00 177.57 178.32 2c0k h LYS 75 N 0.96 0.78 0.00 1.57 1.57 -1.30 -2.49 116.57 117.66 2c0k h LYS 75 Ca 0.24 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2c0k h LYS 75 Cb 0.07 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2c0k h LYS 75 CO -0.04 0.53 -0.34 0.00 -0.57 0.00 0.00 179.45 179.03 2c0k n ALA 76 N -2.45 3.12 -1.68 3.86 0.00 -1.01 -4.91 120.51 117.45 2c0k n ALA 76 Ca 0.06 -0.26 -0.45 0.00 0.00 0.00 0.00 53.44 52.78 2c0k n ALA 76 Cb 0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 2c0k n ALA 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2c0k n LEU 77 N -1.54 3.33 -4.18 0.00 -0.00 -0.88 -4.36 117.00 109.36 2c0k n LEU 77 Ca 0.06 1.08 -0.14 0.00 -0.00 0.00 0.00 56.01 57.01 2c0k n LEU 77 Cb 0.34 -1.46 -0.08 0.00 -0.00 0.00 0.00 43.42 42.22 2c0k n LEU 77 CO 0.33 -0.19 -0.11 -0.94 -0.00 0.00 0.00 177.39 176.48 2c0k s SER 78 N 0.91 0.60 0.08 1.96 1.04 -1.26 -5.03 113.70 112.00 2c0k s SER 78 Ca 0.77 -1.44 -0.37 0.00 0.48 0.00 0.00 55.95 55.39 2c0k s SER 78 Cb -0.63 0.48 -0.17 0.00 0.10 0.00 0.00 66.02 65.80 2c0k s SER 78 CO 0.38 -0.98 1.35 0.52 0.98 0.00 0.00 173.24 175.48 2c0k n VAL 79 N -0.41 0.00 -2.12 5.02 0.31 -1.26 -0.46 118.33 119.42 2c0k n VAL 79 Ca 0.03 -0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.25 2c0k n VAL 79 Cb 0.64 -0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 32.73 2c0k n VAL 79 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2c0k n ASP 80 N 2.56 -3.29 -1.77 4.52 8.00 0.22 -1.14 116.55 125.64 2c0k n ASP 80 Ca 0.18 0.24 -0.17 0.00 0.71 0.00 0.00 54.79 55.76 2c0k n ASP 80 Cb 0.19 -2.91 -0.03 0.00 -0.02 0.00 0.00 41.12 38.35 2c0k n ASP 80 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2c0k n PHE 81 N -2.81 -0.60 0.06 1.24 3.01 0.39 -4.91 117.46 113.84 2c0k n PHE 81 Ca -0.12 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.23 2c0k n PHE 81 Cb 0.52 -3.29 -0.05 0.00 -0.01 0.00 0.00 39.48 36.65 2c0k n PHE 81 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2c0k h GLY 82 N 0.00 -0.18 -5.58 1.37 0.00 -1.23 -3.42 103.07 94.04 2c0k h GLY 82 Ca -0.39 0.16 -0.54 0.00 0.00 0.00 0.00 47.33 46.56 2c0k h GLY 82 CO 0.49 -0.14 1.25 -0.35 0.00 0.00 0.00 176.54 177.79 2c0k s ASP 83 N -5.01 6.34 0.00 0.19 3.68 -1.26 -4.85 116.67 115.75 2c0k s ASP 83 Ca -0.14 2.51 0.17 0.00 2.13 0.00 0.00 52.55 57.21 2c0k s ASP 83 Cb 0.08 -2.53 0.97 0.00 -1.45 0.00 0.00 42.92 39.99 2c0k s ASP 83 CO 0.66 -1.17 1.47 2.29 0.13 0.00 0.00 175.17 178.56 2c0k n LYS 84 N 7.67 0.42 0.25 4.34 -0.00 -1.26 -1.77 118.16 127.80 2c0k n LYS 84 Ca 0.21 0.06 0.14 0.00 -0.00 0.00 0.00 58.31 58.71 2c0k n LYS 84 Cb 0.42 -1.50 0.53 0.00 -0.00 0.00 0.00 35.03 34.48 2c0k n LYS 84 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 2c0k h LYS 85 N 0.00 0.00 -0.38 -1.58 2.10 -1.89 -2.65 116.57 112.18 2c0k h LYS 85 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2c0k h LYS 85 Cb 0.07 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.38 2c0k h LYS 85 CO 0.00 0.10 0.19 0.35 -2.00 0.00 0.00 179.45 178.09 2c0k h PHE 86 N 0.00 0.53 -0.31 0.07 3.57 -1.55 -3.11 116.94 116.14 2c0k h PHE 86 Ca -0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2c0k h PHE 86 Cb 0.67 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2c0k h PHE 86 CO 0.00 0.43 0.22 -0.44 -2.23 0.00 0.00 178.31 176.29 2c0k h ASP 87 N 0.47 0.01 1.10 0.41 5.19 -1.66 -2.96 116.42 118.98 2c0k h ASP 87 Ca 0.13 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.35 2c0k h ASP 87 Cb 0.09 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 2c0k h ASP 87 CO -0.02 0.01 -0.91 0.44 -3.12 0.00 0.00 179.24 175.63 2c0k h ASP 88 N 0.01 0.00 -0.65 6.45 3.32 -1.53 -1.70 116.42 122.32 2c0k h ASP 88 Ca 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2c0k h ASP 88 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 2c0k h ASP 88 CO -0.00 0.87 0.29 0.58 -1.72 0.00 0.00 179.24 179.25 2c0k h VAL 89 N 0.00 1.23 0.00 -1.35 2.07 -1.57 -2.14 116.25 114.49 2c0k h VAL 89 Ca -0.02 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 2c0k h VAL 89 Cb 1.68 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2c0k h VAL 89 CO 0.11 0.27 -1.05 -0.50 0.02 0.00 0.00 177.57 176.43 2c0k h TRP 90 N 0.91 0.00 -0.55 1.57 4.06 -1.62 -2.42 115.95 117.89 2c0k h TRP 90 Ca 0.22 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.12 2c0k h TRP 90 Cb 0.16 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 2c0k h TRP 90 CO 0.01 0.27 0.13 0.87 -3.56 0.00 0.00 178.44 176.16 2c0k h LYS 91 N 0.00 0.85 -0.76 0.49 1.57 -1.37 -1.36 116.57 116.01 2c0k h LYS 91 Ca -0.06 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2c0k h LYS 91 Cb 1.26 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 2c0k h LYS 91 CO 0.02 0.77 0.36 -0.22 -0.57 0.00 0.00 179.45 179.81 2c0k h LYS 92 N 0.82 1.09 -0.73 3.15 3.64 -1.23 -1.34 116.57 121.98 2c0k h LYS 92 Ca 0.18 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2c0k h LYS 92 Cb 0.30 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2c0k h LYS 92 CO -0.00 0.84 0.48 1.25 -2.27 0.00 0.00 179.45 179.75 2c0k h LEU 93 N 1.08 0.83 0.27 5.20 5.85 -1.19 -3.00 115.31 124.35 2c0k h LEU 93 Ca 0.26 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2c0k h LEU 93 Cb 0.12 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2c0k h LEU 93 CO -0.03 0.60 -0.49 0.00 -0.34 0.00 0.00 178.44 178.18 2c0k h ALA 94 N 1.27 -1.04 0.00 1.25 0.00 -0.15 -1.16 119.26 119.43 2c0k h ALA 94 Ca 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2c0k h ALA 94 Cb -0.11 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2c0k h ALA 94 CO -0.06 -1.13 -0.10 -0.56 0.00 0.00 0.00 179.25 177.41 2c0k h GLN 95 N -0.81 0.00 0.10 0.00 3.07 -1.39 -0.13 115.11 115.95 2c0k h GLN 95 Ca -0.03 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.45 2c0k h GLN 95 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.33 2c0k h GLN 95 CO -0.18 0.10 -1.18 1.15 0.09 0.00 0.00 178.83 178.81 2c0k h THR 96 N 0.00 1.48 -0.00 1.86 2.02 -1.36 -3.36 112.91 113.54 2c0k h THR 96 Ca -0.00 -2.92 0.00 0.00 0.77 0.00 0.00 66.41 64.26 2c0k h THR 96 Cb 0.18 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2c0k h THR 96 CO 0.01 0.86 -0.73 1.41 0.37 0.00 0.00 175.52 177.44 2c0k n HIS 97 N -3.58 0.00 -0.08 3.16 8.25 -0.46 -4.57 115.22 117.94 2c0k n HIS 97 Ca -0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.31 2c0k n HIS 97 Cb 0.98 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.09 2c0k n HIS 97 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2c0k h HIS 98 N 0.68 -0.34 0.00 4.41 6.17 -1.19 -2.45 115.15 122.43 2c0k h HIS 98 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2c0k h HIS 98 Cb 0.51 0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.63 2c0k h HIS 98 CO 0.00 -0.21 0.00 0.39 0.71 0.00 0.00 177.93 178.82 2c0k n GLU 99 N -5.32 0.67 -3.96 5.26 1.02 -1.26 -4.45 120.64 112.60 2c0k n GLU 99 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 2c0k n GLU 99 Cb 0.23 -1.21 -0.17 0.00 -0.02 0.00 0.00 31.44 30.27 2c0k n GLU 99 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2c0k s LYS 100 N -1.38 1.58 -1.09 3.49 1.02 -0.92 -5.06 119.74 117.38 2c0k s LYS 100 Ca 0.00 -0.28 -0.23 0.00 0.02 0.00 0.00 55.97 55.48 2c0k s LYS 100 Cb 0.00 -1.60 -0.08 0.00 -0.52 0.00 0.00 37.83 35.62 2c0k s LYS 100 CO 0.00 -0.25 1.96 0.15 -0.92 0.00 0.00 175.35 176.29 2c0k s LYS 101 N 1.63 2.43 -0.43 1.68 -0.14 -1.26 -4.86 119.74 118.79 2c0k s LYS 101 Ca 0.04 -0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 53.72 2c0k s LYS 101 Cb -0.13 -5.17 0.09 0.00 -1.68 0.00 0.00 37.83 30.94 2c0k s LYS 101 CO -0.08 -3.89 0.27 0.14 -0.76 0.00 0.00 175.35 171.03 2c0k s VAL 102 N 11.12 4.14 0.18 3.17 -7.23 -1.26 -5.05 120.40 125.47 2c0k s VAL 102 Ca 0.70 -1.53 -0.32 0.00 -1.81 0.00 0.00 61.98 59.03 2c0k s VAL 102 Cb -0.03 -3.59 -0.11 0.00 0.56 0.00 0.00 36.38 33.21 2c0k s VAL 102 CO 0.09 -0.57 1.71 -0.70 -0.31 0.00 0.00 175.10 175.32 2c0k s GLU 103 N 1.39 4.15 0.36 4.82 2.12 -1.26 -4.86 118.70 125.41 2c0k s GLU 103 Ca 0.04 2.55 0.18 0.00 0.36 0.00 0.00 54.97 58.10 2c0k s GLU 103 Cb -0.24 -3.18 1.25 0.00 0.26 0.00 0.00 34.13 32.23 2c0k s GLU 103 CO 0.01 -0.74 1.60 -0.09 -0.54 0.00 0.00 175.26 175.50 2c0k h ARG 104 N 7.10 0.06 -0.47 4.30 9.65 -2.00 -0.90 114.38 132.11 2c0k h ARG 104 Ca -0.43 -0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.51 2c0k h ARG 104 Cb 1.20 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.72 2c0k h ARG 104 CO 0.95 0.04 0.16 -0.09 2.80 0.00 0.00 179.97 183.83 2c0k h ARG 105 N 0.06 0.32 0.00 0.20 2.43 -2.00 -1.19 114.38 114.20 2c0k h ARG 105 Ca 0.81 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.92 2c0k h ARG 105 Cb 2.06 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.53 2c0k h ARG 105 CO -0.75 0.21 -0.17 0.66 -1.51 0.00 0.00 179.97 178.42 2c0k h SER 106 N 0.33 0.00 -0.11 -3.80 4.64 -1.53 -0.46 113.55 112.61 2c0k h SER 106 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2c0k h SER 106 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2c0k h SER 106 CO -0.24 0.17 -0.01 1.88 -0.87 0.00 0.00 176.83 177.76 2c0k h TYR 107 N 0.00 0.22 -0.91 4.77 0.05 -1.19 -2.56 116.97 117.35 2c0k h TYR 107 Ca -0.00 -0.04 0.19 0.00 0.05 0.00 0.00 58.73 58.92 2c0k h TYR 107 Cb 0.76 -0.06 -0.11 0.00 1.01 0.00 0.00 36.73 38.33 2c0k h TYR 107 CO 0.00 0.46 0.48 -0.91 -1.05 0.00 0.00 178.16 177.14 2c0k h ASN 108 N -0.09 0.55 -0.05 3.88 2.35 -0.36 -1.24 115.58 120.62 2c0k h ASN 108 Ca 0.03 0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 2c0k h ASN 108 Cb 0.38 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2c0k h ASN 108 CO 0.01 0.16 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.36 2c0k h GLU 109 N 0.59 0.48 -0.43 0.81 5.08 -1.05 -2.17 114.58 117.91 2c0k h GLU 109 Ca 0.54 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.58 2c0k h GLU 109 Cb 0.88 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2c0k h GLU 109 CO -0.42 0.71 -0.25 1.25 -1.00 0.00 0.00 179.01 179.29 2c0k h LEU 110 N 0.43 0.92 -0.63 1.33 5.85 -0.96 -2.78 115.31 119.46 2c0k h LEU 110 Ca 0.06 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.53 2c0k h LEU 110 Cb 0.68 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2c0k h LEU 110 CO 0.05 1.12 0.21 0.50 -0.34 0.00 0.00 178.44 179.98 2c0k h LYS 111 N 0.76 0.36 -0.26 1.25 3.64 -0.81 0.25 116.57 121.76 2c0k h LYS 111 Ca 0.09 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2c0k h LYS 111 Cb 0.81 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 2c0k h LYS 111 CO 0.07 0.24 -0.15 0.22 -2.27 0.00 0.00 179.45 177.56 2c0k h ASP 112 N 0.37 -0.48 -0.13 4.20 3.58 -1.14 -2.27 116.42 120.55 2c0k h ASP 112 Ca 0.33 0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.84 2c0k h ASP 112 Cb 0.45 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 2c0k h ASP 112 CO -0.35 -0.18 -0.11 0.40 -2.88 0.00 0.00 179.24 176.11 2c0k h ILE 113 N -0.12 1.34 -0.87 2.25 5.03 -1.25 -2.44 117.51 121.45 2c0k h ILE 113 Ca 0.14 -1.24 0.16 0.00 -0.12 0.00 0.00 64.86 63.80 2c0k h ILE 113 Cb 0.33 1.86 -0.10 0.00 -3.03 0.00 0.00 36.82 35.89 2c0k h ILE 113 CO -0.34 0.36 0.45 0.40 -0.68 0.00 0.00 178.15 178.34 2c0k h ILE 114 N -0.06 0.69 0.00 -0.67 2.04 -0.84 0.96 117.51 119.64 2c0k h ILE 114 Ca 0.02 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 2c0k h ILE 114 Cb 0.63 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2c0k h ILE 114 CO 0.03 0.11 -0.51 0.40 0.00 0.00 0.00 178.15 178.18 2c0k h ILE 115 N 0.61 1.06 -0.07 -0.67 2.04 -1.33 -2.14 117.51 117.02 2c0k h ILE 115 Ca 0.49 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 2c0k h ILE 115 Cb 0.73 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2c0k h ILE 115 CO -0.39 0.50 -0.09 -0.33 0.00 0.00 0.00 178.15 177.84 2c0k h GLU 116 N 0.00 0.19 -0.78 2.37 5.08 -0.41 -2.20 114.58 118.83 2c0k h GLU 116 Ca -0.01 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2c0k h GLU 116 Cb 1.12 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2c0k h GLU 116 CO 0.07 0.65 0.36 -0.24 -1.00 0.00 0.00 179.01 178.85 2c0k h VAL 117 N -0.26 1.25 -0.77 3.13 3.04 -0.94 -1.52 116.25 120.17 2c0k h VAL 117 Ca 0.01 -0.71 0.04 0.00 -1.01 0.00 0.00 66.70 65.02 2c0k h VAL 117 Cb 0.63 0.27 -0.05 0.00 -2.01 0.00 0.00 31.29 30.13 2c0k h VAL 117 CO 0.02 0.30 0.48 0.58 -1.01 0.00 0.00 177.57 177.94 2c0k h VAL 118 N 1.11 1.08 0.00 1.51 2.07 -1.43 -2.09 116.25 118.50 2c0k h VAL 118 Ca 0.27 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2c0k h VAL 118 Cb 0.14 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2c0k h VAL 118 CO -0.03 0.17 -0.17 0.00 0.02 0.00 0.00 177.57 177.55 2c0k n SER 120 N -3.65 0.49 -0.07 0.00 3.41 -0.70 -4.02 113.62 109.07 2c0k n SER 120 Ca -0.01 -0.03 -0.22 0.00 -0.26 0.00 0.00 58.87 58.35 2c0k n SER 120 Cb 0.30 0.10 -0.12 0.00 -0.26 0.00 0.00 64.21 64.22 2c0k n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c0k s VAL 122 N -2.48 0.98 -0.31 0.00 0.11 -0.92 -5.05 120.40 112.73 2c0k s VAL 122 Ca -0.28 -0.99 -0.27 0.00 -2.93 0.00 0.00 61.98 57.51 2c0k s VAL 122 Cb 0.08 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2c0k s VAL 122 CO 0.65 -0.07 0.96 -1.59 -3.33 0.00 0.00 175.10 171.72 2c0k s LYS 123 N -1.20 4.02 0.07 1.54 0.00 -1.26 -4.10 119.74 118.81 2c0k s LYS 123 Ca -0.01 0.87 -0.10 0.00 0.00 0.00 0.00 55.97 56.73 2c0k s LYS 123 Cb -0.08 -3.73 -0.06 0.00 0.00 0.00 0.00 37.83 33.96 2c0k s LYS 123 CO 0.01 -0.81 0.39 -0.51 0.00 0.00 0.00 175.35 174.43 2c0k s LEU 124 N 3.36 4.35 0.00 2.77 1.43 -1.26 -5.11 118.68 124.21 2c0k s LEU 124 Ca 0.40 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 54.25 2c0k s LEU 124 Cb -0.13 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.23 2c0k s LEU 124 CO 0.14 0.18 0.66 -0.46 0.23 0.00 0.00 176.35 177.09 2c0k n ASN 125 N 0.92 0.65 0.15 2.29 2.04 -1.26 -4.91 115.26 115.14 2c0k n ASN 125 Ca -0.08 -1.60 0.00 0.00 -0.44 0.00 0.00 54.58 52.46 2c0k n ASN 125 Cb 0.52 -0.45 0.23 0.00 -2.53 0.00 0.00 39.78 37.56 2c0k n ASN 125 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2c0k h GLU 126 N 0.00 0.00 -0.10 -3.83 9.09 -2.00 -2.29 114.58 115.46 2c0k h GLU 126 Ca -0.22 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.06 2c0k h GLU 126 Cb 0.74 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.83 2c0k h GLU 126 CO 0.21 0.54 -0.53 0.87 0.05 0.00 0.00 179.01 180.14 2c0k h LYS 127 N 0.00 0.28 -0.06 1.06 1.57 -1.99 -2.61 116.57 114.81 2c0k h LYS 127 Ca -0.01 -0.17 -0.23 0.00 -1.87 0.00 0.00 60.65 58.38 2c0k h LYS 127 Cb 0.96 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.30 2c0k h LYS 127 CO 0.07 0.74 -0.88 1.96 -0.57 0.00 0.00 179.45 180.77 2c0k h GLN 128 N 0.21 0.62 -0.71 3.15 4.20 -1.87 -1.77 115.11 118.95 2c0k h GLN 128 Ca 0.00 -0.58 -0.01 0.00 0.06 0.00 0.00 58.65 58.13 2c0k h GLN 128 Cb 1.01 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 2c0k h GLN 128 CO 0.08 1.19 0.41 0.28 -0.67 0.00 0.00 178.83 180.13 2c0k h VAL 129 N 0.39 1.21 -0.31 -0.54 2.07 -1.46 -1.55 116.25 116.05 2c0k h VAL 129 Ca -0.08 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 66.98 2c0k h VAL 129 Cb 1.51 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2c0k h VAL 129 CO 0.17 0.22 0.18 -0.74 0.02 0.00 0.00 177.57 177.42 2c0k h HIS 130 N 0.97 0.35 -0.79 1.57 -0.00 -1.40 -2.61 115.15 113.23 2c0k h HIS 130 Ca 0.25 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 2c0k h HIS 130 Cb -0.01 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.25 2c0k h HIS 130 CO -0.01 0.21 0.45 0.00 -0.00 0.00 0.00 177.93 178.58 2c0k h ALA 131 N 1.14 1.01 -0.72 5.26 0.00 -1.07 -2.80 119.26 122.09 2c0k h ALA 131 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2c0k h ALA 131 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2c0k h ALA 131 CO -0.05 0.51 0.24 1.88 0.00 0.00 0.00 179.25 181.82 2c0k h TYR 132 N 1.09 1.14 -0.11 0.00 0.05 -1.05 -1.48 116.97 116.61 2c0k h TYR 132 Ca 0.28 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.98 2c0k h TYR 132 Cb 0.00 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.38 2c0k h TYR 132 CO -0.00 0.90 -0.09 0.45 -1.05 0.00 0.00 178.16 178.37 2c0k h HIS 133 N 1.05 -0.22 -0.86 4.88 3.86 -1.25 -2.13 115.15 120.49 2c0k h HIS 133 Ca 0.23 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2c0k h HIS 133 Cb 0.29 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 2c0k h HIS 133 CO 0.02 -0.14 0.55 0.87 0.86 0.00 0.00 177.93 180.09 2c0k h LYS 134 N -0.10 1.15 -0.40 2.45 1.57 -1.28 0.61 116.57 120.57 2c0k h LYS 134 Ca 0.07 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2c0k h LYS 134 Cb 0.21 -0.25 -0.09 0.00 0.08 0.00 0.00 32.23 32.18 2c0k h LYS 134 CO -0.17 0.78 -0.36 0.35 -0.57 0.00 0.00 179.45 179.48 2c0k h PHE 135 N 1.17 -1.01 0.01 -1.35 3.57 -1.02 -1.25 116.94 117.06 2c0k h PHE 135 Ca 0.31 0.06 -0.20 0.00 3.53 0.00 0.00 57.97 61.67 2c0k h PHE 135 Cb -0.10 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2c0k h PHE 135 CO -0.01 -0.40 -0.90 0.74 -2.23 0.00 0.00 178.31 175.51 2c0k h PHE 136 N -0.28 0.27 -0.80 0.41 0.04 -0.80 -1.95 116.94 113.82 2c0k h PHE 136 Ca 0.16 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.80 2c0k h PHE 136 Cb 0.56 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.63 2c0k h PHE 136 CO -0.56 0.98 0.52 -0.44 -0.60 0.00 0.00 178.31 178.20 2c0k h ASP 137 N 0.09 0.87 0.37 2.17 3.32 0.53 -1.61 116.42 122.16 2c0k h ASP 137 Ca -0.04 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.68 2c0k h ASP 137 Cb 1.54 -0.20 0.03 0.00 0.22 0.00 0.00 39.33 40.91 2c0k h ASP 137 CO 0.13 0.61 -1.43 -0.09 -1.72 0.00 0.00 179.24 176.74 2c0k h ARG 138 N 1.02 0.46 -0.72 3.56 9.65 -1.21 -1.79 114.38 125.35 2c0k h ARG 138 Ca 0.31 -0.78 0.16 0.00 -1.10 0.00 0.00 59.98 58.57 2c0k h ARG 138 Cb -0.03 0.29 -0.12 0.00 -1.39 0.00 0.00 29.97 28.72 2c0k h ARG 138 CO -0.10 1.37 0.01 0.00 2.80 0.00 0.00 179.97 184.05 2c0k h ALA 139 N 0.28 0.74 -0.17 2.80 0.00 -1.22 -1.55 119.26 120.13 2c0k h ALA 139 Ca -0.23 0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2c0k h ALA 139 Cb 2.11 0.39 0.00 0.00 0.00 0.00 0.00 17.79 20.29 2c0k h ALA 139 CO 0.25 -0.41 -0.50 1.88 0.00 0.00 0.00 179.25 180.47 2c0k h TYR 140 N 0.11 0.84 -0.46 0.00 0.05 -1.22 -1.74 116.97 114.55 2c0k h TYR 140 Ca 0.39 -0.33 0.07 0.00 0.05 0.00 0.00 58.73 58.90 2c0k h TYR 140 Cb 0.66 -0.14 -0.06 0.00 1.01 0.00 0.00 36.73 38.20 2c0k h TYR 140 CO -0.40 1.12 0.11 -0.44 -1.05 0.00 0.00 178.16 177.50 2c0k h ASP 141 N 0.32 0.06 -0.41 3.88 3.32 -0.99 -0.04 116.42 122.57 2c0k h ASP 141 Ca -0.01 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.12 2c0k h ASP 141 Cb 1.12 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2c0k h ASP 141 CO 0.11 0.06 0.25 0.40 -1.72 0.00 0.00 179.24 178.34 2c0k h ILE 142 N 0.26 1.06 -0.60 0.35 2.04 -1.28 -1.99 117.51 117.35 2c0k h ILE 142 Ca 0.22 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2c0k h ILE 142 Cb 0.27 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2c0k h ILE 142 CO -0.27 0.09 0.19 0.00 0.00 0.00 0.00 178.15 178.16 2c0k h ALA 143 N 1.17 1.21 0.14 1.87 0.00 -0.38 -2.52 119.26 120.76 2c0k h ALA 143 Ca 0.16 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2c0k h ALA 143 Cb -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2c0k h ALA 143 CO -0.06 0.56 -1.55 0.74 0.00 0.00 0.00 179.25 178.94 2c0k h PHE 144 N 0.87 0.55 -0.72 0.00 -1.00 -0.97 -2.29 116.94 113.39 2c0k h PHE 144 Ca 0.20 -0.40 0.10 0.00 2.81 0.00 0.00 57.97 60.68 2c0k h PHE 144 Cb 0.24 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.73 2c0k h PHE 144 CO 0.02 1.44 0.47 0.00 -1.61 0.00 0.00 178.31 178.63 2c0k h ALA 145 N 0.41 1.91 0.05 2.45 0.00 -1.36 -1.59 119.26 121.12 2c0k h ALA 145 Ca -0.25 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.40 2c0k h ALA 145 Cb 2.04 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.72 2c0k h ALA 145 CO 0.18 -0.07 -1.07 0.93 0.00 0.00 0.00 179.25 179.22 2c0k h GLU 146 N 0.56 0.40 0.00 0.00 4.39 -1.39 -3.05 114.58 115.50 2c0k h GLU 146 Ca 0.33 -0.51 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2c0k h GLU 146 Cb 0.54 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2c0k h GLU 146 CO -0.11 1.18 -0.23 0.52 -1.16 0.00 0.00 179.01 179.20 2c0k h MET 147 N 0.19 0.00 -0.43 2.33 2.86 -1.10 -2.81 114.93 115.98 2c0k h MET 147 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2c0k h MET 147 Cb 1.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.39 2c0k h MET 147 CO 0.19 0.23 0.00 0.00 1.06 0.00 0.00 176.91 178.39 2c0k n ALA 148 N -2.34 1.64 1.65 6.32 0.00 -0.63 -5.10 120.51 122.05 2c0k n ALA 148 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.57 2c0k n ALA 148 Cb 0.34 -1.00 0.65 0.00 0.00 0.00 0.00 19.45 19.44 2c0k n ALA 148 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86