#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c0k n ASN 2 N 0.00 -2.96 0.08 6.12 2.85 -1.26 -1.03 115.26 119.05 2c0k n ASN 2 Ca 0.00 0.10 -0.17 0.00 -0.11 0.00 0.00 54.58 54.39 2c0k n ASN 2 Cb 0.00 -0.94 -0.09 0.00 1.24 0.00 0.00 39.78 39.98 2c0k n ASN 2 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2c0k h SER 3 N -1.57 0.67 0.63 1.20 0.87 -1.98 -2.79 113.55 110.58 2c0k h SER 3 Ca -0.47 -0.59 -0.14 0.00 -1.23 0.00 0.00 61.79 59.37 2c0k h SER 3 Cb 1.33 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2c0k h SER 3 CO 0.32 1.41 -0.64 -0.33 -0.53 0.00 0.00 176.83 177.05 2c0k h GLU 4 N 0.24 0.01 -0.30 2.24 5.08 -2.00 -3.02 114.58 116.83 2c0k h GLU 4 Ca -0.13 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 2c0k h GLU 4 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2c0k h GLU 4 CO 0.20 0.65 -0.53 0.93 -1.00 0.00 0.00 179.01 179.25 2c0k h GLU 5 N 0.01 0.89 -0.26 2.33 5.08 -1.93 -2.26 114.58 118.44 2c0k h GLU 5 Ca -0.01 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 2c0k h GLU 5 Cb 1.13 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2c0k h GLU 5 CO 0.08 1.20 0.14 0.28 -1.00 0.00 0.00 179.01 179.71 2c0k h VAL 6 N 0.69 1.13 -0.16 3.13 2.07 -1.54 -1.96 116.25 119.60 2c0k h VAL 6 Ca 0.02 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2c0k h VAL 6 Cb 1.14 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2c0k h VAL 6 CO 0.12 0.12 -0.35 -1.13 0.02 0.00 0.00 177.57 176.35 2c0k h ASN 7 N 0.30 0.34 -0.53 0.57 -0.73 -1.57 -1.78 115.58 112.18 2c0k h ASN 7 Ca 0.09 -0.13 -0.11 0.00 1.87 0.00 0.00 56.30 58.02 2c0k h ASN 7 Cb 0.08 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 2c0k h ASN 7 CO -0.01 0.67 -0.11 0.44 -0.37 0.00 0.00 177.43 178.05 2c0k h ASP 8 N 0.28 1.02 -0.51 1.15 3.32 -1.24 -0.25 116.42 120.19 2c0k h ASP 8 Ca 0.03 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.64 2c0k h ASP 8 Cb 0.76 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2c0k h ASP 8 CO 0.06 1.13 -0.06 0.40 -1.72 0.00 0.00 179.24 179.05 2c0k h ILE 9 N 0.91 1.26 0.09 0.35 2.04 -1.17 -2.21 117.51 118.79 2c0k h ILE 9 Ca 0.14 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2c0k h ILE 9 Cb 0.68 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2c0k h ILE 9 CO 0.05 0.42 -0.04 0.11 0.00 0.00 0.00 178.15 178.69 2c0k h LYS 10 N 0.88 -0.12 -0.04 2.37 1.57 -1.20 -1.59 116.57 118.44 2c0k h LYS 10 Ca 0.15 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2c0k h LYS 10 Cb 0.60 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2c0k h LYS 10 CO 0.04 0.25 -0.11 -0.09 -0.57 0.00 0.00 179.45 178.97 2c0k h ARG 11 N -0.51 -0.15 -0.14 3.15 2.43 -1.04 -2.63 114.38 115.49 2c0k h ARG 11 Ca -0.01 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2c0k h ARG 11 Cb 0.42 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2c0k h ARG 11 CO 0.02 -0.10 -0.48 1.79 -1.51 0.00 0.00 179.97 179.69 2c0k h THR 12 N -0.16 1.33 -0.42 0.20 1.35 -1.50 -3.19 112.91 110.52 2c0k h THR 12 Ca 0.05 -1.69 -0.08 0.00 -0.55 0.00 0.00 66.41 64.15 2c0k h THR 12 Cb 0.23 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 2c0k h THR 12 CO -0.14 0.51 -0.07 -0.25 -0.25 0.00 0.00 175.52 175.33 2c0k h TRP 13 N 0.29 0.77 -1.02 4.73 2.91 -1.06 -2.74 115.95 119.83 2c0k h TRP 13 Ca 0.02 -0.12 0.26 0.00 1.13 0.00 0.00 58.89 60.17 2c0k h TRP 13 Cb 0.95 -0.21 -0.09 0.00 -0.51 0.00 0.00 29.16 29.31 2c0k h TRP 13 CO 0.03 0.76 0.67 0.93 -1.03 0.00 0.00 178.44 179.79 2c0k h GLU 14 N 0.66 0.37 -0.63 2.65 4.39 -1.45 -0.19 114.58 120.38 2c0k h GLU 14 Ca 0.12 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 2c0k h GLU 14 Cb 0.51 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2c0k h GLU 14 CO 0.03 0.24 0.10 0.28 -1.16 0.00 0.00 179.01 178.50 2c0k h VAL 15 N 0.38 1.26 -0.05 3.13 2.07 -1.63 -2.76 116.25 118.64 2c0k h VAL 15 Ca 0.57 -1.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.85 2c0k h VAL 15 Cb 1.48 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2c0k h VAL 15 CO -0.26 0.37 -0.92 0.58 0.02 0.00 0.00 177.57 177.37 2c0k h VAL 16 N 0.97 1.31 0.00 2.57 2.07 -1.19 -3.19 116.25 118.79 2c0k h VAL 16 Ca 0.19 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.52 2c0k h VAL 16 Cb 0.41 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2c0k h VAL 16 CO 0.01 0.68 0.00 0.00 0.02 0.00 0.00 177.57 178.28 2c0k h ALA 17 N 0.57 1.00 0.00 1.67 0.00 -1.09 -2.44 119.26 118.97 2c0k h ALA 17 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2c0k h ALA 17 Cb 1.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2c0k h ALA 17 CO 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 2c0k h ALA 18 N 2.09 1.01 -1.43 0.00 0.00 -1.47 -3.35 119.26 116.11 2c0k h ALA 18 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 54.91 54.37 2c0k h ALA 18 Cb 0.21 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.58 2c0k h ALA 18 CO 0.00 0.16 -1.16 0.36 0.00 0.00 0.00 179.25 178.62 2c0k n LYS 19 N -3.27 1.26 -0.21 0.00 2.85 -0.92 -5.00 118.16 112.87 2c0k n LYS 19 Ca 0.00 -3.41 0.01 0.00 -1.05 0.00 0.00 58.31 53.86 2c0k n LYS 19 Cb 0.39 -1.49 0.12 0.00 -0.65 0.00 0.00 35.03 33.40 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 2.98 0.36 -0.43 -1.58 2.86 -1.70 -1.46 114.93 115.95 2c0k h MET 20 Ca -0.00 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 2c0k h MET 20 Cb 1.07 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2c0k h MET 20 CO 0.53 0.24 -0.28 1.15 1.06 0.00 0.00 176.91 179.60 2c0k h THR 21 N 0.37 1.27 -0.23 2.22 2.02 -1.92 0.13 112.91 116.77 2c0k h THR 21 Ca 0.33 -1.45 -0.10 0.00 0.77 0.00 0.00 66.41 65.95 2c0k h THR 21 Cb 0.45 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2c0k h THR 21 CO -0.35 0.49 -0.30 -0.33 0.37 0.00 0.00 175.52 175.40 2c0k h GLU 22 N 0.80 0.47 -0.07 6.66 5.08 -1.80 -2.11 114.58 123.61 2c0k h GLU 22 Ca 0.09 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 2c0k h GLU 22 Cb 0.87 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2c0k h GLU 22 CO 0.08 0.72 -0.82 0.00 -1.00 0.00 0.00 179.01 177.99 2c0k h ALA 23 N 1.27 0.44 -0.35 3.43 0.00 -1.14 -3.01 119.26 119.89 2c0k h ALA 23 Ca 0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 2c0k h ALA 23 Cb 0.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2c0k h ALA 23 CO 0.06 0.75 0.01 0.78 0.00 0.00 0.00 179.25 180.85 2c0k h GLY 24 N 1.04 0.67 1.00 0.00 0.00 -0.56 0.84 103.07 106.06 2c0k h GLY 24 Ca -0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2c0k h GLY 24 CO 0.15 0.45 -0.14 -2.08 0.00 0.00 0.00 176.54 174.92 2c0k h VAL 25 N 0.43 0.72 -0.70 4.60 2.07 -1.49 -0.70 116.25 121.18 2c0k h VAL 25 Ca 0.10 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.73 2c0k h VAL 25 Cb 0.44 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 2c0k h VAL 25 CO 0.02 0.00 0.24 -0.08 0.02 0.00 0.00 177.57 177.77 2c0k h GLU 26 N -0.40 0.37 0.02 1.57 4.57 -1.48 -1.59 114.58 117.64 2c0k h GLU 26 Ca -0.04 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2c0k h GLU 26 Cb 0.31 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2c0k h GLU 26 CO 0.07 0.25 -0.01 1.98 -1.18 0.00 0.00 179.01 180.11 2c0k h MET 27 N 0.38 -0.03 -0.33 1.92 4.05 -0.43 -2.61 114.93 117.88 2c0k h MET 27 Ca 0.38 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.69 2c0k h MET 27 Cb 0.56 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 2c0k h MET 27 CO -0.40 -0.00 -0.26 -0.07 0.23 0.00 0.00 176.91 176.41 2c0k h LEU 28 N -0.05 0.68 -0.16 3.39 3.38 -0.71 -2.07 115.31 119.76 2c0k h LEU 28 Ca -0.00 -0.25 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 2c0k h LEU 28 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2c0k h LEU 28 CO 0.01 0.91 -0.95 0.07 0.09 0.00 0.00 178.44 178.57 2c0k h LYS 29 N 0.58 0.10 -0.42 1.13 2.10 -1.31 -1.15 116.57 117.60 2c0k h LYS 29 Ca 0.08 -0.14 -0.03 0.00 -2.00 0.00 0.00 60.65 58.56 2c0k h LYS 29 Cb 0.74 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.10 2c0k h LYS 29 CO 0.06 0.97 0.15 0.00 -2.00 0.00 0.00 179.45 178.63 2c0k h ARG 30 N 0.05 0.65 -0.32 0.07 3.08 -1.46 -2.31 114.38 114.13 2c0k h ARG 30 Ca -0.04 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2c0k h ARG 30 Cb 1.63 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 2c0k h ARG 30 CO 0.14 0.62 0.11 -0.92 -1.07 0.00 0.00 179.97 178.85 2c0k h TYR 31 N 0.54 0.52 0.00 3.04 3.20 -1.17 0.15 116.97 123.24 2c0k h TYR 31 Ca 0.14 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.81 2c0k h TYR 31 Cb 0.23 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2c0k h TYR 31 CO 0.01 0.51 -0.72 0.74 -1.64 0.00 0.00 178.16 177.05 2c0k h PHE 32 N 0.37 0.00 -0.24 -3.82 0.04 -1.29 0.82 116.94 112.82 2c0k h PHE 32 Ca 0.11 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.76 2c0k h PHE 32 Cb 0.23 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 2c0k h PHE 32 CO 0.00 0.72 -0.30 -0.22 -0.60 0.00 0.00 178.31 177.92 2c0k h LYS 33 N 0.00 0.63 0.00 1.51 3.11 -1.20 -2.75 116.57 117.88 2c0k h LYS 33 Ca -0.01 -0.36 -0.15 0.00 -2.81 0.00 0.00 60.65 57.33 2c0k h LYS 33 Cb 1.37 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.60 2c0k h LYS 33 CO 0.09 0.96 -0.98 -0.22 -2.81 0.00 0.00 179.45 176.50 2c0k h LYS 34 N 0.34 0.00 -2.04 1.90 3.64 -0.68 -3.40 116.57 116.33 2c0k h LYS 34 Ca 0.03 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.85 2c0k h LYS 34 Cb 0.88 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.30 2c0k h LYS 34 CO 0.07 0.47 -1.02 0.66 -2.27 0.00 0.00 179.45 177.36 2c0k n TYR 35 N -3.09 0.49 0.30 1.91 4.02 0.28 -4.98 117.16 116.08 2c0k n TYR 35 Ca -0.04 -3.70 0.18 0.00 -0.01 0.00 0.00 57.90 54.33 2c0k n TYR 35 Cb 0.81 -0.40 0.79 0.00 -0.02 0.00 0.00 39.34 40.52 2c0k n TYR 35 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2c0k h PRO 36 N 3.91 0.00 -0.58 -0.72 0.11 -1.69 -2.22 132.00 130.81 2c0k h PRO 36 Ca 0.10 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.26 2c0k h PRO 36 Cb 0.84 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 2c0k h PRO 36 CO 0.54 0.00 0.38 1.12 -0.21 0.00 0.00 178.00 179.83 2c0k h HIS 37 N 0.00 0.59 0.00 0.65 2.07 -1.94 -2.18 115.15 114.34 2c0k h HIS 37 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2c0k h HIS 37 Cb 0.38 -0.20 0.00 0.00 2.57 0.00 0.00 27.41 30.17 2c0k h HIS 37 CO 0.00 0.33 0.00 0.09 -3.07 0.00 0.00 177.93 175.28 2c0k n ASN 38 N -4.47 0.06 0.12 3.10 5.03 -0.83 -1.57 115.26 116.70 2c0k n ASN 38 Ca 0.08 0.52 0.04 0.00 0.87 0.00 0.00 54.58 56.09 2c0k n ASN 38 Cb 0.20 -0.53 0.47 0.00 -1.02 0.00 0.00 39.78 38.90 2c0k n ASN 38 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2c0k h LEU 39 N 0.00 0.25 -2.41 3.41 5.85 -1.59 -2.88 115.31 117.94 2c0k h LEU 39 Ca 0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2c0k h LEU 39 Cb 0.15 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2c0k h LEU 39 CO 0.00 0.26 0.17 0.78 -0.34 0.00 0.00 178.44 179.31 2c0k h ASN 40 N 0.28 0.00 1.36 1.25 -0.26 -1.50 0.19 115.58 116.90 2c0k h ASN 40 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2c0k h ASN 40 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 2c0k h ASN 40 CO -0.00 0.00 -0.30 0.45 -1.06 0.00 0.00 177.43 176.52 2c0k h HIS 41 N 0.00 0.00 -2.18 1.19 3.86 -1.74 -3.36 115.15 112.92 2c0k h HIS 41 Ca 0.03 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.65 2c0k h HIS 41 Cb 0.38 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.43 2c0k h HIS 41 CO 0.00 0.00 -0.62 1.19 0.86 0.00 0.00 177.93 179.36 2c0k n PHE 42 N -2.45 3.46 -0.30 2.45 3.01 0.66 -4.97 117.46 119.32 2c0k n PHE 42 Ca 0.04 -4.12 0.13 0.00 1.01 0.00 0.00 57.45 54.51 2c0k n PHE 42 Cb 0.47 -0.55 0.30 0.00 -0.01 0.00 0.00 39.48 39.69 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 4.12 0.34 -0.11 -1.08 0.11 -1.73 0.12 132.00 133.77 2c0k h PRO 43 Ca 0.19 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.31 2c0k h PRO 43 Cb 0.67 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 2c0k h PRO 43 CO 0.82 0.22 0.09 0.11 -0.21 0.00 0.00 178.00 179.03 2c0k h TRP 44 N 0.35 0.00 0.00 0.65 0.09 -1.93 -2.86 115.95 112.25 2c0k h TRP 44 Ca 0.55 0.00 -0.17 0.00 0.09 0.00 0.00 58.89 59.37 2c0k h TRP 44 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 30.28 2c0k h TRP 44 CO -0.17 0.00 -1.06 0.74 0.09 0.00 0.00 178.44 178.04 2c0k h PHE 45 N 0.00 0.00 0.00 0.12 0.05 -1.09 -3.26 116.94 112.76 2c0k h PHE 45 Ca 0.05 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.79 2c0k h PHE 45 Cb 0.23 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.17 2c0k h PHE 45 CO 0.00 0.68 -0.27 1.57 -0.18 0.00 0.00 178.31 180.10 2c0k h LYS 46 N 0.00 0.00 0.00 1.51 2.10 -1.47 -3.16 116.57 115.55 2c0k h LYS 46 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2c0k h LYS 46 Cb 1.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 2c0k h LYS 46 CO 0.07 0.27 0.00 -1.91 -2.00 0.00 0.00 179.45 175.88 2c0k n GLU 47 N -3.30 0.40 -4.72 0.07 4.07 -1.18 -4.65 120.64 111.32 2c0k n GLU 47 Ca 0.01 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.86 2c0k n GLU 47 Cb 0.52 -1.46 -0.16 0.00 -0.06 0.00 0.00 31.44 30.28 2c0k n GLU 47 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2c0k s ILE 48 N -2.00 1.27 0.27 6.31 1.01 -1.20 -5.11 121.20 121.76 2c0k s ILE 48 Ca 0.17 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 2c0k s ILE 48 Cb 0.08 -1.11 -0.13 0.00 0.01 0.00 0.00 42.46 41.31 2c0k s ILE 48 CO 0.13 0.37 1.26 -0.81 0.00 0.00 0.00 174.94 175.90 2c0k n PRO 49 N 3.29 1.81 -0.37 2.79 -0.04 -1.26 -4.87 135.00 136.36 2c0k n PRO 49 Ca -0.19 0.64 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 2c0k n PRO 49 Cb 0.53 -2.19 0.15 0.00 -0.04 0.00 0.00 33.50 31.94 2c0k n PRO 49 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2c0k h PHE 50 N 3.14 1.21 0.00 0.54 3.57 -1.93 -0.55 116.94 122.92 2c0k h PHE 50 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2c0k h PHE 50 Cb 1.30 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2c0k h PHE 50 CO 0.52 0.68 0.00 -0.25 -2.23 0.00 0.00 178.31 177.03 2c0k n ASP 51 N -4.47 0.00 0.01 0.41 10.43 -1.26 -2.70 116.55 118.97 2c0k n ASP 51 Ca 0.14 -0.06 0.11 0.00 2.57 0.00 0.00 54.79 57.55 2c0k n ASP 51 Cb 0.12 -0.28 -0.04 0.00 1.84 0.00 0.00 41.12 42.76 2c0k n ASP 51 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2c0k n ASP 52 N -1.28 0.62 -0.05 -2.24 10.43 -0.22 -4.55 116.55 119.27 2c0k n ASP 52 Ca 0.11 -0.41 -0.11 0.00 2.57 0.00 0.00 54.79 56.95 2c0k n ASP 52 Cb 0.18 1.05 -0.05 0.00 1.84 0.00 0.00 41.12 44.14 2c0k n ASP 52 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2c0k h LEU 53 N 0.00 0.25 -1.98 0.64 3.38 -1.51 -2.97 115.31 113.12 2c0k h LEU 53 Ca 0.00 -0.18 0.40 0.00 0.09 0.00 0.00 57.88 58.19 2c0k h LEU 53 Cb 0.70 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2c0k h LEU 53 CO 0.00 0.37 1.00 -0.65 0.09 0.00 0.00 178.44 179.25 2c0k h PRO 54 N 0.12 0.00 -0.54 1.13 0.11 -1.80 -0.07 132.00 130.96 2c0k h PRO 54 Ca 0.06 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.94 2c0k h PRO 54 Cb 0.20 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.17 2c0k h PRO 54 CO -0.00 0.00 0.15 -1.91 -0.21 0.00 0.00 178.00 176.03 2c0k n GLU 55 N -4.09 2.44 -4.54 1.05 2.13 -1.12 -4.74 120.64 111.77 2c0k n GLU 55 Ca 0.30 -3.07 -0.34 0.00 0.66 0.00 0.00 57.16 54.70 2c0k n GLU 55 Cb 1.44 -1.97 -0.11 0.00 0.27 0.00 0.00 31.44 31.07 2c0k n GLU 55 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2c0k s ASN 56 N -1.92 4.80 0.12 4.31 3.84 -0.04 -5.04 114.94 121.01 2c0k s ASN 56 Ca 0.49 -0.00 -0.14 0.00 0.21 0.00 0.00 52.86 53.42 2c0k s ASN 56 Cb 0.42 -1.33 -0.05 0.00 -0.55 0.00 0.00 41.25 39.74 2c0k s ASN 56 CO 0.06 0.34 1.49 0.00 -2.79 0.00 0.00 177.10 176.20 2c0k h ALA 57 N 5.45 0.51 0.00 1.71 0.00 -1.93 -1.39 119.26 123.61 2c0k h ALA 57 Ca -0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 2c0k h ALA 57 Cb 1.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2c0k h ALA 57 CO 0.54 0.44 -0.08 -0.09 0.00 0.00 0.00 179.25 180.06 2c0k h ARG 58 N 0.54 0.00 0.17 0.00 2.43 -1.96 -2.17 114.38 113.39 2c0k h ARG 58 Ca 0.08 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.90 2c0k h ARG 58 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2c0k h ARG 58 CO 0.05 0.08 -1.82 0.35 -1.51 0.00 0.00 179.97 177.13 2c0k h PHE 59 N 0.00 0.64 -0.39 2.20 3.57 -1.68 -2.24 116.94 119.05 2c0k h PHE 59 Ca -0.00 -0.47 -0.09 0.00 3.53 0.00 0.00 57.97 60.94 2c0k h PHE 59 Cb 0.53 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2c0k h PHE 59 CO 0.00 1.70 -0.10 0.87 -2.23 0.00 0.00 178.31 178.55 2c0k h LYS 60 N 0.10 0.75 -0.66 1.11 1.57 -1.28 -2.83 116.57 115.33 2c0k h LYS 60 Ca -0.36 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.09 2c0k h LYS 60 Cb 2.08 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.32 2c0k h LYS 60 CO 0.15 0.89 0.25 1.15 -0.57 0.00 0.00 179.45 181.32 2c0k h THR 61 N 0.55 1.23 -0.15 -0.16 2.02 -1.48 -2.41 112.91 112.51 2c0k h THR 61 Ca 0.10 -0.75 -0.21 0.00 0.77 0.00 0.00 66.41 66.33 2c0k h THR 61 Cb 0.61 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2c0k h THR 61 CO 0.04 0.30 -0.71 -0.74 0.37 0.00 0.00 175.52 174.77 2c0k h HIS 62 N 0.95 1.01 -0.04 3.16 -0.00 -1.43 -2.18 115.15 116.63 2c0k h HIS 62 Ca 0.22 -0.44 0.04 0.00 -0.00 0.00 0.00 60.37 60.18 2c0k h HIS 62 Cb 0.20 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.41 2c0k h HIS 62 CO 0.02 1.27 -0.28 0.78 -0.00 0.00 0.00 177.93 179.71 2c0k h GLY 63 N 0.47 -0.41 0.03 5.26 0.00 -1.41 -2.16 103.07 104.85 2c0k h GLY 63 Ca -0.05 0.34 0.10 0.00 0.00 0.00 0.00 47.33 47.73 2c0k h GLY 63 CO 0.15 -0.22 -0.07 -0.84 0.00 0.00 0.00 176.54 175.56 2c0k h THR 64 N -0.40 0.52 -0.63 4.70 2.02 -1.41 -2.73 112.91 114.98 2c0k h THR 64 Ca 0.07 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2c0k h THR 64 Cb 0.51 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2c0k h THR 64 CO -0.27 0.01 0.30 0.03 0.37 0.00 0.00 175.52 175.96 2c0k h ARG 65 N 0.05 0.89 -0.29 6.66 3.08 -1.03 -0.46 114.38 123.28 2c0k h ARG 65 Ca 0.26 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.22 2c0k h ARG 65 Cb 0.40 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2c0k h ARG 65 CO -0.49 0.69 0.12 0.82 -1.07 0.00 0.00 179.97 180.04 2c0k h ILE 66 N 0.89 0.96 0.00 2.04 2.04 -1.10 -2.83 117.51 119.51 2c0k h ILE 66 Ca 0.22 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.86 2c0k h ILE 66 Cb 0.10 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2c0k h ILE 66 CO -0.03 0.05 -0.62 -0.07 0.00 0.00 0.00 178.15 177.48 2c0k h LEU 67 N 0.27 0.00 -0.62 1.44 3.38 -1.17 -2.27 115.31 116.33 2c0k h LEU 67 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2c0k h LEU 67 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2c0k h LEU 67 CO -0.11 0.62 -0.65 0.03 0.09 0.00 0.00 178.44 178.42 2c0k h ARG 68 N 0.00 0.15 -0.25 1.13 2.47 -1.06 0.12 114.38 116.94 2c0k h ARG 68 Ca -0.01 -0.12 -0.14 0.00 -1.26 0.00 0.00 59.98 58.46 2c0k h ARG 68 Cb 1.13 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2c0k h ARG 68 CO 0.08 0.75 -0.39 0.37 0.56 0.00 0.00 179.97 181.34 2c0k h GLN 69 N 0.11 0.71 -0.80 0.04 4.15 -1.39 -2.88 115.11 115.05 2c0k h GLN 69 Ca -0.01 -0.43 0.12 0.00 0.77 0.00 0.00 58.65 59.10 2c0k h GLN 69 Cb 1.17 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.82 2c0k h GLN 69 CO 0.10 1.05 0.41 0.28 -1.93 0.00 0.00 178.83 178.74 2c0k h VAL 70 N 0.44 0.81 -0.54 2.39 2.07 -1.18 -2.56 116.25 117.68 2c0k h VAL 70 Ca 0.02 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.43 2c0k h VAL 70 Cb 0.99 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 2c0k h VAL 70 CO 0.09 0.12 -0.00 -0.78 0.02 0.00 0.00 177.57 177.02 2c0k h ASP 71 N 0.65 -0.24 -0.54 0.57 3.58 -0.66 -1.19 116.42 118.59 2c0k h ASP 71 Ca 0.41 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.96 2c0k h ASP 71 Cb 0.49 0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 2c0k h ASP 71 CO -0.31 -0.09 0.22 -0.33 -2.88 0.00 0.00 179.24 175.85 2c0k h GLU 72 N 0.11 0.85 -0.53 0.28 5.08 -1.25 -2.26 114.58 116.87 2c0k h GLU 72 Ca 0.27 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2c0k h GLU 72 Cb 0.42 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2c0k h GLU 72 CO -0.46 0.71 0.33 0.78 -1.00 0.00 0.00 179.01 179.38 2c0k h GLY 73 N 0.96 0.75 1.93 -3.84 0.00 -0.96 -1.99 103.07 99.93 2c0k h GLY 73 Ca 0.20 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 2c0k h GLY 73 CO -0.02 0.24 -0.21 -2.08 0.00 0.00 0.00 176.54 174.47 2c0k h VAL 74 N 0.67 1.18 -0.04 4.60 2.07 -0.96 -2.75 116.25 121.02 2c0k h VAL 74 Ca 0.20 -0.84 -0.18 0.00 0.82 0.00 0.00 66.70 66.70 2c0k h VAL 74 Cb -0.03 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2c0k h VAL 74 CO -0.07 0.25 -0.77 0.11 0.02 0.00 0.00 177.57 177.11 2c0k h LYS 75 N 0.08 0.30 -0.34 1.57 1.57 -0.82 -3.06 116.57 115.87 2c0k h LYS 75 Ca 0.01 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2c0k h LYS 75 Cb 0.43 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2c0k h LYS 75 CO 0.03 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 2c0k n ALA 76 N -2.49 2.46 -2.41 3.86 0.00 -0.81 -4.91 120.51 116.22 2c0k n ALA 76 Ca -0.04 -0.74 -0.43 0.00 0.00 0.00 0.00 53.44 52.23 2c0k n ALA 76 Cb 0.73 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 2c0k n ALA 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2c0k s LEU 77 N -1.31 4.20 0.36 0.00 0.20 -1.05 -4.16 118.68 116.92 2c0k s LEU 77 Ca 0.33 1.74 0.04 0.00 0.69 0.00 0.00 54.13 56.93 2c0k s LEU 77 Cb 0.18 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 42.34 2c0k s LEU 77 CO 0.25 -0.74 0.06 -0.94 -0.29 0.00 0.00 176.35 174.69 2c0k s SER 78 N 1.96 2.72 0.20 3.68 1.04 -1.26 -5.04 113.70 117.00 2c0k s SER 78 Ca 0.56 -1.43 -0.32 0.00 0.48 0.00 0.00 55.95 55.24 2c0k s SER 78 Cb -0.23 -0.02 -0.15 0.00 0.10 0.00 0.00 66.02 65.72 2c0k s SER 78 CO 0.16 -0.64 1.25 0.52 0.98 0.00 0.00 173.24 175.52 2c0k n VAL 79 N -0.78 0.93 -2.21 5.02 0.31 -1.26 0.01 118.33 120.35 2c0k n VAL 79 Ca -0.04 -0.23 -0.15 0.00 -0.01 0.00 0.00 64.34 63.91 2c0k n VAL 79 Cb 0.66 -1.08 -0.02 0.00 -0.91 0.00 0.00 33.84 32.50 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 2.06 -4.29 -4.06 4.52 8.00 -0.20 -1.29 116.55 121.29 2c0k n ASP 80 Ca 0.14 0.19 -0.28 0.00 0.71 0.00 0.00 54.79 55.55 2c0k n ASP 80 Cb 0.27 -3.69 -0.03 0.00 -0.02 0.00 0.00 41.12 37.65 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 -3.20 -1.60 0.56 1.24 3.01 0.10 -4.83 117.46 112.75 2c0k n PHE 81 Ca -0.17 0.73 0.13 0.00 1.01 0.00 0.00 57.45 59.16 2c0k n PHE 81 Cb 0.60 -3.46 0.38 0.00 -0.01 0.00 0.00 39.48 36.98 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 -1.77 0.00 -7.33 1.37 0.00 -1.24 -3.45 103.07 90.65 2c0k h GLY 82 Ca -0.63 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.07 2c0k h GLY 82 CO 0.66 0.00 -0.27 -0.35 0.00 0.00 0.00 176.54 176.58 2c0k s ASP 83 N -4.76 6.23 0.62 0.19 3.68 -1.26 -4.97 116.67 116.39 2c0k s ASP 83 Ca 0.10 0.26 0.41 0.00 2.13 0.00 0.00 52.55 55.45 2c0k s ASP 83 Cb 0.11 -2.20 2.23 0.00 -1.45 0.00 0.00 42.92 41.61 2c0k s ASP 83 CO 0.60 -0.16 2.26 0.11 0.13 0.00 0.00 175.17 178.11 2c0k h LYS 84 N 8.15 0.00 -0.19 4.34 6.56 -1.91 -0.30 116.57 133.22 2c0k h LYS 84 Ca -0.32 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.32 2c0k h LYS 84 Cb 1.17 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 2c0k h LYS 84 CO 0.63 0.00 0.14 0.87 -2.06 0.00 0.00 179.45 179.04 2c0k h LYS 85 N 0.00 0.00 0.13 3.15 1.57 -1.93 -2.29 116.57 117.20 2c0k h LYS 85 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2c0k h LYS 85 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2c0k h LYS 85 CO 0.00 0.00 -0.06 0.35 -0.57 0.00 0.00 179.45 179.17 2c0k h PHE 86 N 0.00 -0.16 -0.92 -1.35 3.57 -1.20 -2.75 116.94 114.12 2c0k h PHE 86 Ca 0.09 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.78 2c0k h PHE 86 Cb 0.38 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 2c0k h PHE 86 CO 0.00 0.04 0.60 -0.44 -2.23 0.00 0.00 178.31 176.28 2c0k h ASP 87 N -0.34 0.53 -0.14 0.41 3.32 -1.60 -2.43 116.42 116.18 2c0k h ASP 87 Ca -0.02 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.13 2c0k h ASP 87 Cb 0.27 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 2c0k h ASP 87 CO 0.03 0.22 -0.25 0.44 -1.72 0.00 0.00 179.24 177.96 2c0k h ASP 88 N 0.54 -0.79 -0.99 6.45 3.32 -1.12 0.10 116.42 123.92 2c0k h ASP 88 Ca 0.49 0.13 0.12 0.00 0.02 0.00 0.00 57.03 57.79 2c0k h ASP 88 Cb 1.03 0.35 -0.08 0.00 0.22 0.00 0.00 39.33 40.84 2c0k h ASP 88 CO -0.22 -0.30 0.63 0.58 -1.72 0.00 0.00 179.24 178.20 2c0k h VAL 89 N -0.32 0.91 0.00 -1.35 2.07 -1.35 -0.83 116.25 115.37 2c0k h VAL 89 Ca 0.10 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2c0k h VAL 89 Cb 0.47 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2c0k h VAL 89 CO -0.32 0.17 -1.31 0.79 0.02 0.00 0.00 177.57 176.92 2c0k n TRP 90 N -4.61 0.06 0.13 1.57 7.02 -1.09 -2.52 117.44 118.00 2c0k n TRP 90 Ca 0.19 0.02 -0.02 0.00 -1.02 0.00 0.00 57.50 56.67 2c0k n TRP 90 Cb 0.37 -0.26 0.17 0.00 -2.42 0.00 0.00 31.31 29.17 2c0k n TRP 90 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2c0k h LYS 91 N 0.00 0.05 -0.36 -0.99 1.57 -0.46 -2.26 116.57 114.11 2c0k h LYS 91 Ca 0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 2c0k h LYS 91 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2c0k h LYS 91 CO 0.00 0.63 -0.22 -0.22 -0.57 0.00 0.00 179.45 179.07 2c0k h LYS 92 N 0.04 0.71 -0.24 3.15 3.64 -1.00 -2.82 116.57 120.04 2c0k h LYS 92 Ca -0.01 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2c0k h LYS 92 Cb 1.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2c0k h LYS 92 CO 0.08 0.87 0.06 1.25 -2.27 0.00 0.00 179.45 179.44 2c0k h LEU 93 N 0.62 0.36 -0.90 5.20 5.85 -1.45 -2.87 115.31 122.12 2c0k h LEU 93 Ca 0.09 -0.23 0.24 0.00 0.84 0.00 0.00 57.88 58.82 2c0k h LEU 93 Cb 0.70 -0.09 -0.16 0.00 0.37 0.00 0.00 40.66 41.48 2c0k h LEU 93 CO 0.05 0.49 0.08 0.00 -0.34 0.00 0.00 178.44 178.73 2c0k h ALA 94 N 0.88 1.11 0.00 1.25 0.00 -1.19 0.06 119.26 121.38 2c0k h ALA 94 Ca 0.07 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2c0k h ALA 94 Cb 0.27 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2c0k h ALA 94 CO 0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 179.25 178.34 2c0k n GLN 95 N -5.38 0.08 -0.02 0.00 10.64 -1.09 -2.13 117.38 119.48 2c0k n GLN 95 Ca 0.20 0.03 -0.03 0.00 -1.83 0.00 0.00 57.00 55.37 2c0k n GLN 95 Cb 0.68 -1.56 -0.13 0.00 -0.86 0.00 0.00 30.24 28.37 2c0k n GLN 95 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2c0k n THR 96 N -1.67 1.19 0.34 -0.39 -1.04 -0.35 -4.56 114.28 107.79 2c0k n THR 96 Ca 0.05 -0.74 0.05 0.00 -2.04 0.00 0.00 64.05 61.38 2c0k n THR 96 Cb 0.36 -0.63 -0.07 0.00 -1.82 0.00 0.00 70.33 68.17 2c0k n THR 96 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2c0k n HIS 97 N -2.81 0.00 0.27 -1.42 8.25 -0.14 -4.55 115.22 114.82 2c0k n HIS 97 Ca -0.17 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.39 2c0k n HIS 97 Cb 0.94 -0.09 0.71 0.00 1.12 0.00 0.00 29.99 32.68 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 0.00 0.00 -0.35 4.41 6.17 -1.63 -2.84 115.15 120.91 2c0k h HIS 98 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 60.98 2c0k h HIS 98 Cb 0.35 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.26 2c0k h HIS 98 CO 0.00 0.02 -0.18 1.49 0.71 0.00 0.00 177.93 179.97 2c0k h GLU 99 N 0.00 0.66 -6.85 5.26 4.22 -1.86 -3.40 114.58 112.61 2c0k h GLU 99 Ca -0.00 -0.24 -0.47 0.00 0.08 0.00 0.00 59.36 58.73 2c0k h GLU 99 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2c0k h GLU 99 CO 0.00 0.81 0.25 0.21 -2.18 0.00 0.00 179.01 178.10 2c0k s LYS 100 N -4.65 4.28 -1.23 1.92 2.47 -1.07 -4.99 119.74 116.47 2c0k s LYS 100 Ca -0.08 1.03 -0.07 0.00 -1.56 0.00 0.00 55.97 55.29 2c0k s LYS 100 Cb 0.14 -2.52 0.20 0.00 -1.46 0.00 0.00 37.83 34.18 2c0k s LYS 100 CO 0.81 0.17 1.92 1.63 0.16 0.00 0.00 175.35 180.04 2c0k n LYS 101 N -0.02 4.19 -2.52 4.03 4.76 -1.26 -4.97 118.16 122.37 2c0k n LYS 101 Ca 0.03 -3.81 -0.43 0.00 -2.87 0.00 0.00 58.31 51.24 2c0k n LYS 101 Cb 0.52 -2.73 -0.02 0.00 -1.84 0.00 0.00 35.03 30.96 2c0k n LYS 101 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2c0k s VAL 102 N -1.03 4.42 0.54 -0.18 1.01 -1.26 -5.05 120.40 118.85 2c0k s VAL 102 Ca 0.41 1.72 -0.05 0.00 0.00 0.00 0.00 61.98 64.07 2c0k s VAL 102 Cb 0.12 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 2c0k s VAL 102 CO -0.01 -0.06 0.83 -1.83 0.00 0.00 0.00 175.10 174.03 2c0k s GLU 103 N 2.68 3.09 0.34 2.72 -1.05 -1.26 -4.97 118.70 120.25 2c0k s GLU 103 Ca 0.52 -0.05 0.07 0.00 -0.15 0.00 0.00 54.97 55.36 2c0k s GLU 103 Cb -0.21 -2.35 0.76 0.00 -0.44 0.00 0.00 34.13 31.88 2c0k s GLU 103 CO 0.17 -0.50 1.88 -0.09 0.95 0.00 0.00 175.26 177.67 2c0k h ARG 104 N 0.03 0.74 -0.69 -4.83 9.65 -2.01 -1.19 114.38 116.08 2c0k h ARG 104 Ca -0.46 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 58.44 2c0k h ARG 104 Cb 1.24 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 29.61 2c0k h ARG 104 CO 0.60 0.49 0.45 -0.09 2.80 0.00 0.00 179.97 184.22 2c0k h ARG 105 N 0.76 0.67 -0.31 0.20 2.43 -2.00 -1.40 114.38 114.74 2c0k h ARG 105 Ca 0.43 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.46 2c0k h ARG 105 Cb 0.58 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2c0k h ARG 105 CO -0.19 0.44 -0.22 0.77 -1.51 0.00 0.00 179.97 179.26 2c0k h SER 106 N 0.69 0.59 -0.01 -3.80 0.02 -1.59 -1.65 113.55 107.79 2c0k h SER 106 Ca 0.30 -0.20 -0.19 0.00 -0.84 0.00 0.00 61.79 60.86 2c0k h SER 106 Cb 0.28 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2c0k h SER 106 CO -0.10 0.81 -0.67 1.88 -1.14 0.00 0.00 176.83 177.61 2c0k h TYR 107 N 0.52 0.83 -0.89 3.45 -1.99 -1.35 -2.99 116.97 114.55 2c0k h TYR 107 Ca 0.08 -0.34 -0.01 0.00 2.00 0.00 0.00 58.73 60.46 2c0k h TYR 107 Cb 0.67 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.22 2c0k h TYR 107 CO 0.03 1.12 0.50 -0.91 -0.00 0.00 0.00 178.16 178.90 2c0k h ASN 108 N 0.46 1.09 -0.08 3.88 2.35 -1.14 -1.82 115.58 120.32 2c0k h ASN 108 Ca -0.02 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 2c0k h ASN 108 Cb 1.26 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2c0k h ASN 108 CO 0.13 0.87 -0.12 -0.33 -1.65 0.00 0.00 177.43 176.33 2c0k h GLU 109 N 1.23 0.40 -0.09 0.81 5.08 -1.29 -2.22 114.58 118.50 2c0k h GLU 109 Ca 0.31 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.42 2c0k h GLU 109 Cb 0.01 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2c0k h GLU 109 CO -0.05 0.52 -0.54 1.25 -1.00 0.00 0.00 179.01 179.19 2c0k h LEU 110 N 0.37 0.64 -0.73 1.33 5.85 -1.33 -2.83 115.31 118.61 2c0k h LEU 110 Ca 0.07 -0.65 0.16 0.00 0.84 0.00 0.00 57.88 58.30 2c0k h LEU 110 Cb 0.44 -0.19 -0.11 0.00 0.37 0.00 0.00 40.66 41.17 2c0k h LEU 110 CO 0.02 1.19 0.17 0.50 -0.34 0.00 0.00 178.44 179.98 2c0k h LYS 111 N 0.13 0.25 -0.44 1.25 3.64 -1.20 0.32 116.57 120.53 2c0k h LYS 111 Ca -0.04 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2c0k h LYS 111 Cb 1.19 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.87 2c0k h LYS 111 CO 0.11 0.17 -0.07 0.22 -2.27 0.00 0.00 179.45 177.60 2c0k h ASP 112 N 0.26 -0.34 0.20 4.20 -0.00 -1.21 -0.60 116.42 118.94 2c0k h ASP 112 Ca 0.41 0.12 -0.01 0.00 -0.00 0.00 0.00 57.03 57.55 2c0k h ASP 112 Cb 0.70 0.24 0.00 0.00 -0.00 0.00 0.00 39.33 40.28 2c0k h ASP 112 CO -0.51 -0.12 -0.10 0.40 -0.00 0.00 0.00 179.24 178.91 2c0k h ILE 113 N 0.03 0.86 -0.73 2.25 1.08 -0.88 -1.70 117.51 118.42 2c0k h ILE 113 Ca 0.21 -0.87 0.15 0.00 -0.39 0.00 0.00 64.86 63.97 2c0k h ILE 113 Cb 0.32 1.33 -0.11 0.00 -3.07 0.00 0.00 36.82 35.29 2c0k h ILE 113 CO -0.42 0.18 0.19 0.40 -0.69 0.00 0.00 178.15 177.81 2c0k h ILE 114 N -0.74 0.54 -0.22 -0.67 2.04 -0.34 0.33 117.51 118.44 2c0k h ILE 114 Ca -0.03 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2c0k h ILE 114 Cb 0.50 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2c0k h ILE 114 CO 0.05 0.05 -0.17 0.40 0.00 0.00 0.00 178.15 178.48 2c0k h ILE 115 N 0.29 1.22 -0.25 -0.67 2.04 -1.05 -1.98 117.51 117.11 2c0k h ILE 115 Ca 0.41 -1.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 2c0k h ILE 115 Cb 0.68 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2c0k h ILE 115 CO -0.49 0.32 -0.20 -0.08 0.00 0.00 0.00 178.15 177.71 2c0k h GLU 116 N 0.34 0.57 -0.43 2.37 4.81 0.47 -2.99 114.58 119.72 2c0k h GLU 116 Ca 0.06 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.93 2c0k h GLU 116 Cb 0.50 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2c0k h GLU 116 CO 0.03 0.87 -0.06 -0.24 -0.73 0.00 0.00 179.01 178.88 2c0k h VAL 117 N 0.29 1.25 -0.55 0.32 3.04 -0.35 -2.22 116.25 118.03 2c0k h VAL 117 Ca 0.05 -1.07 0.09 0.00 -1.01 0.00 0.00 66.70 64.75 2c0k h VAL 117 Cb 0.74 0.98 -0.07 0.00 -2.01 0.00 0.00 31.29 30.93 2c0k h VAL 117 CO 0.05 0.37 0.17 0.58 -1.01 0.00 0.00 177.57 177.73 2c0k h VAL 118 N 0.69 0.75 -0.92 1.51 2.07 -1.41 -1.76 116.25 117.19 2c0k h VAL 118 Ca 0.13 -0.11 0.18 0.00 0.82 0.00 0.00 66.70 67.71 2c0k h VAL 118 Cb 0.51 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 2c0k h VAL 118 CO 0.03 0.06 0.59 0.00 0.02 0.00 0.00 177.57 178.27 2c0k h SER 120 N 0.58 0.00 0.04 0.00 4.64 -1.07 -3.29 113.55 114.46 2c0k h SER 120 Ca 0.48 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.66 2c0k h SER 120 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2c0k h SER 120 CO -0.22 0.00 -0.72 0.00 -0.87 0.00 0.00 176.83 175.02 2c0k s VAL 122 N -2.33 1.12 -0.52 0.00 1.01 0.53 -5.05 120.40 115.16 2c0k s VAL 122 Ca -0.21 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 2c0k s VAL 122 Cb 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.41 2c0k s VAL 122 CO 0.69 0.08 1.31 -1.59 0.00 0.00 0.00 175.10 175.59 2c0k s LYS 123 N -0.96 3.49 0.40 2.72 0.00 -1.26 -3.84 119.74 120.30 2c0k s LYS 123 Ca 0.03 0.54 -0.16 0.00 0.00 0.00 0.00 55.97 56.37 2c0k s LYS 123 Cb -0.07 -4.04 -0.09 0.00 0.00 0.00 0.00 37.83 33.63 2c0k s LYS 123 CO 0.01 -1.69 0.84 -0.51 0.00 0.00 0.00 175.35 174.00 2c0k s LEU 124 N 5.36 3.90 0.00 2.77 1.43 -1.26 -5.10 118.68 125.78 2c0k s LEU 124 Ca 0.51 1.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.08 2c0k s LEU 124 Cb -0.10 -4.25 0.11 0.00 0.03 0.00 0.00 46.19 41.98 2c0k s LEU 124 CO 0.28 -0.36 0.83 -0.46 0.23 0.00 0.00 176.35 176.88 2c0k n ASN 125 N -0.87 1.86 -0.34 2.29 0.23 -1.26 -4.92 115.26 112.25 2c0k n ASN 125 Ca 0.05 -2.39 -0.02 0.00 -0.53 0.00 0.00 54.58 51.68 2c0k n ASN 125 Cb 0.54 -0.47 0.12 0.00 -2.08 0.00 0.00 39.78 37.89 2c0k n ASN 125 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2c0k h GLU 126 N 0.00 1.26 -0.14 -3.83 3.07 -1.99 -0.83 114.58 112.12 2c0k h GLU 126 Ca -0.28 -0.10 -0.10 0.00 -0.50 0.00 0.00 59.36 58.38 2c0k h GLU 126 Cb 1.21 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2c0k h GLU 126 CO 0.37 0.86 -0.35 0.87 -1.40 0.00 0.00 179.01 179.35 2c0k h LYS 127 N 1.29 0.28 0.19 2.33 1.57 -1.99 -1.37 116.57 118.88 2c0k h LYS 127 Ca 0.34 -0.12 -0.31 0.00 -1.87 0.00 0.00 60.65 58.69 2c0k h LYS 127 Cb -0.10 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.23 2c0k h LYS 127 CO -0.07 0.60 -1.41 1.96 -0.57 0.00 0.00 179.45 179.97 2c0k h GLN 128 N 0.24 0.41 -0.18 3.15 4.20 -1.76 -2.11 115.11 119.07 2c0k h GLN 128 Ca 0.03 -0.70 0.04 0.00 0.06 0.00 0.00 58.65 58.07 2c0k h GLN 128 Cb 0.74 0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.75 2c0k h GLN 128 CO 0.06 1.33 -0.07 0.28 -0.67 0.00 0.00 178.83 179.76 2c0k h VAL 129 N 0.11 0.77 -0.52 -0.54 2.07 -1.15 -1.15 116.25 115.84 2c0k h VAL 129 Ca -0.21 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.39 2c0k h VAL 129 Cb 2.08 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 2c0k h VAL 129 CO 0.24 0.00 0.15 -0.74 0.02 0.00 0.00 177.57 177.24 2c0k h HIS 130 N -0.04 0.25 -0.49 1.57 -0.00 -1.20 -1.66 115.15 113.60 2c0k h HIS 130 Ca 0.09 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.41 2c0k h HIS 130 Cb 0.17 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 2c0k h HIS 130 CO -0.22 0.05 -0.04 0.00 -0.00 0.00 0.00 177.93 177.72 2c0k h ALA 131 N 1.38 1.01 -0.37 5.26 0.00 -1.16 -2.44 119.26 122.93 2c0k h ALA 131 Ca 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2c0k h ALA 131 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2c0k h ALA 131 CO -0.30 0.60 0.17 1.88 0.00 0.00 0.00 179.25 181.61 2c0k h TYR 132 N 0.78 0.50 -0.32 0.00 -1.99 -0.30 -1.59 116.97 114.05 2c0k h TYR 132 Ca 0.14 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 2c0k h TYR 132 Cb 0.53 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 2c0k h TYR 132 CO 0.03 0.38 -0.16 0.45 -0.00 0.00 0.00 178.16 178.85 2c0k h HIS 133 N 0.52 0.77 -0.68 4.88 3.86 -0.98 -2.90 115.15 120.62 2c0k h HIS 133 Ca 0.13 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 2c0k h HIS 133 Cb 0.06 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 2c0k h HIS 133 CO 0.00 0.89 0.26 0.87 0.86 0.00 0.00 177.93 180.82 2c0k h LYS 134 N 0.43 1.00 0.13 2.45 1.57 -1.11 0.01 116.57 121.04 2c0k h LYS 134 Ca 0.07 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2c0k h LYS 134 Cb 0.70 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 2c0k h LYS 134 CO 0.05 0.82 -0.52 0.35 -0.57 0.00 0.00 179.45 179.59 2c0k h PHE 135 N 0.98 -1.49 -0.18 -1.35 3.57 -1.31 -1.50 116.94 115.66 2c0k h PHE 135 Ca 0.23 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.59 2c0k h PHE 135 Cb 0.20 0.63 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 2c0k h PHE 135 CO 0.02 -0.59 -0.60 0.74 -2.23 0.00 0.00 178.31 175.64 2c0k h PHE 136 N -0.75 0.76 -0.51 0.41 0.04 -1.31 -1.32 116.94 114.26 2c0k h PHE 136 Ca -0.00 -0.29 0.10 0.00 2.80 0.00 0.00 57.97 60.58 2c0k h PHE 136 Cb 0.76 -0.14 -0.10 0.00 2.20 0.00 0.00 35.95 38.67 2c0k h PHE 136 CO -0.44 1.04 -0.14 -0.44 -0.60 0.00 0.00 178.31 177.73 2c0k h ASP 137 N 0.44 -0.52 -0.22 2.17 3.32 -0.99 0.86 116.42 121.49 2c0k h ASP 137 Ca -0.00 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2c0k h ASP 137 Cb 1.16 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 2c0k h ASP 137 CO 0.11 -0.18 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.35 2c0k h ARG 138 N -0.02 0.39 -0.53 3.56 9.65 -0.87 0.13 114.38 126.69 2c0k h ARG 138 Ca 0.24 -0.13 0.09 0.00 -1.10 0.00 0.00 59.98 59.08 2c0k h ARG 138 Cb 0.39 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.87 2c0k h ARG 138 CO -0.53 0.59 0.13 0.00 2.80 0.00 0.00 179.97 182.96 2c0k h ALA 139 N 0.79 0.62 -0.33 2.80 0.00 -1.02 -0.40 119.26 121.73 2c0k h ALA 139 Ca 0.06 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2c0k h ALA 139 Cb 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2c0k h ALA 139 CO 0.01 -0.28 -0.27 1.88 0.00 0.00 0.00 179.25 180.59 2c0k h TYR 140 N 0.28 0.76 -0.65 0.00 0.99 -0.64 -1.10 116.97 116.61 2c0k h TYR 140 Ca 0.27 -0.18 -0.08 0.00 2.00 0.00 0.00 58.73 60.74 2c0k h TYR 140 Cb 0.35 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 37.88 2c0k h TYR 140 CO -0.21 0.87 0.11 -0.44 -0.00 0.00 0.00 178.16 178.48 2c0k h ASP 141 N 0.57 1.03 0.17 3.88 3.32 -0.06 -2.07 116.42 123.26 2c0k h ASP 141 Ca 0.07 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2c0k h ASP 141 Cb 0.76 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2c0k h ASP 141 CO 0.06 1.03 -0.08 0.40 -1.72 0.00 0.00 179.24 178.92 2c0k h ILE 142 N 0.99 0.92 -0.66 0.35 2.04 -0.98 -2.62 117.51 117.55 2c0k h ILE 142 Ca 0.20 -0.42 0.13 0.00 1.00 0.00 0.00 64.86 65.76 2c0k h ILE 142 Cb 0.43 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 2c0k h ILE 142 CO 0.01 0.10 0.18 0.00 0.00 0.00 0.00 178.15 178.44 2c0k h ALA 143 N 0.36 0.83 0.01 1.87 0.00 -1.09 -2.65 119.26 118.58 2c0k h ALA 143 Ca -0.02 0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 2c0k h ALA 143 Cb 0.34 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2c0k h ALA 143 CO 0.04 -0.29 -0.92 0.74 0.00 0.00 0.00 179.25 178.83 2c0k h PHE 144 N 0.31 0.44 0.00 0.00 -1.00 -1.39 -2.03 116.94 113.26 2c0k h PHE 144 Ca 0.35 -0.24 -0.03 0.00 2.81 0.00 0.00 57.97 60.86 2c0k h PHE 144 Cb 0.54 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.05 2c0k h PHE 144 CO -0.23 1.06 -0.13 0.00 -1.61 0.00 0.00 178.31 177.40 2c0k h ALA 145 N 0.86 1.72 0.13 2.45 0.00 -1.14 -1.84 119.26 121.45 2c0k h ALA 145 Ca -0.06 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 2c0k h ALA 145 Cb 1.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2c0k h ALA 145 CO 0.15 0.16 -1.43 1.49 0.00 0.00 0.00 179.25 179.62 2c0k h GLU 146 N 0.00 0.28 0.00 0.00 4.57 -1.18 -3.18 114.58 115.07 2c0k h GLU 146 Ca -0.00 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2c0k h GLU 146 Cb 0.24 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2c0k h GLU 146 CO 0.02 1.17 0.00 0.52 -1.18 0.00 0.00 179.01 179.54 2c0k h MET 147 N 0.08 0.00 -0.06 1.92 2.86 -1.04 -3.05 114.93 115.64 2c0k h MET 147 Ca -0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2c0k h MET 147 Cb 2.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.67 2c0k h MET 147 CO 0.18 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.15 2c0k n ALA 148 N -2.04 1.77 -3.68 6.32 0.00 -0.72 -4.05 120.51 118.11 2c0k n ALA 148 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 2c0k n ALA 148 Cb 0.25 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.56 2c0k n ALA 148 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2c0k s LYS 149 N -1.81 0.92 0.00 0.00 1.02 -1.15 -5.11 119.74 113.61 2c0k s LYS 149 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.49 2c0k s LYS 149 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2c0k s LYS 149 CO 0.00 -1.10 0.00 0.00 -0.92 0.00 0.00 175.35 173.33