#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h n ALA 3 N 0.00 -0.40 -1.18 4.61 0.00 -1.26 -5.00 120.51 117.27 2k4h n ALA 3 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2k4h n ALA 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2k4h n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k4h n ARG 4 N -2.00 -1.96 0.00 0.00 0.63 -1.26 -4.75 116.66 107.32 2k4h n ARG 4 Ca 0.00 1.29 0.00 0.00 -0.92 0.00 0.00 57.85 58.22 2k4h n ARG 4 Cb 0.00 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 30.52 2k4h n ARG 4 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2k4h n ASN 5 N -3.55 0.00 -3.42 6.15 2.85 -1.26 -4.96 115.26 111.08 2k4h n ASN 5 Ca 0.01 0.30 -0.14 0.00 -0.11 0.00 0.00 54.58 54.64 2k4h n ASN 5 Cb 0.44 -0.37 -0.10 0.00 1.24 0.00 0.00 39.78 40.99 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2k4h s SER 6 N -2.61 0.91 0.14 1.20 0.01 -1.26 -5.02 113.70 107.07 2k4h s SER 6 Ca 0.00 -0.09 -0.08 0.00 1.31 0.00 0.00 55.95 57.09 2k4h s SER 6 Cb 0.00 0.71 -0.05 0.00 0.21 0.00 0.00 66.02 66.89 2k4h s SER 6 CO 0.00 -0.32 1.39 0.58 0.41 0.00 0.00 173.24 175.30 2k4h h VAL 7 N 6.25 1.30 -3.68 3.43 2.07 -1.93 -3.45 116.25 120.24 2k4h h VAL 7 Ca -0.18 -1.92 -0.46 0.00 0.82 0.00 0.00 66.70 64.97 2k4h h VAL 7 Cb 1.15 1.88 0.18 0.00 -1.52 0.00 0.00 31.29 32.98 2k4h h VAL 7 CO 0.28 0.60 0.13 -0.76 0.02 0.00 0.00 177.57 177.84 2k4h s LEU 8 N -8.38 1.50 0.00 2.57 1.43 -1.26 -5.06 118.68 109.48 2k4h s LEU 8 Ca -0.09 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 2k4h s LEU 8 Cb 0.10 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2k4h s LEU 8 CO 0.88 -3.51 0.00 -1.14 0.23 0.00 0.00 176.35 172.81 2k4h n ARG 9 N -4.46 0.72 0.00 1.70 3.00 -1.26 -4.96 116.66 111.40 2k4h n ARG 9 Ca 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2k4h n ARG 9 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 2k4h n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4h n GLY 10 N 4.96 -0.10 0.26 5.14 0.00 -1.26 -3.02 105.19 111.17 2k4h n GLY 10 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2k4h n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k4h h LYS 11 N 0.00 0.10 -0.14 1.61 1.57 -2.02 -2.12 116.57 115.57 2k4h h LYS 11 Ca 0.00 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 2k4h h LYS 11 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2k4h h LYS 11 CO 0.00 0.13 -0.73 0.87 -0.57 0.00 0.00 179.45 179.15 2k4h h LYS 12 N 0.10 0.65 -0.99 3.15 1.57 -1.99 -3.18 116.57 115.88 2k4h h LYS 12 Ca 0.02 -0.52 0.20 0.00 -1.87 0.00 0.00 60.65 58.49 2k4h h LYS 12 Cb 0.10 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.42 2k4h h LYS 12 CO 0.00 1.13 0.62 0.00 -0.57 0.00 0.00 179.45 180.63 2k4h h ALA 13 N 0.72 1.83 0.33 3.86 0.00 -1.29 -1.02 119.26 123.70 2k4h h ALA 13 Ca -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k4h h ALA 13 Cb 1.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2k4h h ALA 13 CO 0.14 -0.19 -0.24 0.22 0.00 0.00 0.00 179.25 179.18 2k4h h ASP 14 N 0.66 -0.62 -0.37 0.00 1.82 -1.55 0.26 116.42 116.62 2k4h h ASP 14 Ca 0.56 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.25 2k4h h ASP 14 Cb 1.01 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.20 2k4h h ASP 14 CO -0.34 -0.37 0.24 -0.33 -1.61 0.00 0.00 179.24 176.83 2k4h h GLU 15 N -0.57 0.50 -0.10 0.28 3.07 -1.41 0.13 114.58 116.48 2k4h h GLU 15 Ca -0.03 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 2k4h h GLU 15 Cb 0.49 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2k4h h GLU 15 CO 0.00 0.34 -0.13 1.25 -1.40 0.00 0.00 179.01 179.07 2k4h h LEU 16 N 0.51 0.30 0.00 1.33 7.12 -0.69 -2.61 115.31 121.27 2k4h h LEU 16 Ca 0.14 -0.51 0.00 0.00 0.13 0.00 0.00 57.88 57.64 2k4h h LEU 16 Cb -0.05 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 2k4h h LEU 16 CO -0.03 0.75 0.00 -0.62 -0.13 0.00 0.00 178.44 178.41 2k4h n GLU 17 N -4.61 0.42 -0.01 1.25 1.02 0.86 -3.35 120.64 116.22 2k4h n GLU 17 Ca -0.07 0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 56.89 2k4h n GLU 17 Cb 0.36 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.14 2k4h n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4h h ARG 18 N 0.00 0.21 -6.42 3.49 3.08 -0.57 -3.42 114.38 110.76 2k4h h ARG 18 Ca 0.00 -0.36 -0.63 0.00 0.07 0.00 0.00 59.98 59.06 2k4h h ARG 18 Cb 0.23 0.14 0.07 0.00 0.08 0.00 0.00 29.97 30.48 2k4h h ARG 18 CO 0.00 1.17 0.50 -0.89 -1.07 0.00 0.00 179.97 179.68 2k4h n ILE 19 N -3.91 0.53 -3.06 2.04 5.41 -1.00 -4.92 119.36 114.46 2k4h n ILE 19 Ca -0.27 -0.13 -0.40 0.00 1.00 0.00 0.00 62.75 62.95 2k4h n ILE 19 Cb 0.90 -1.13 -0.05 0.00 -0.71 0.00 0.00 39.64 38.65 2k4h n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4h s ARG 20 N 0.06 4.43 0.51 0.38 0.52 -0.61 -2.99 118.95 121.24 2k4h s ARG 20 Ca 0.76 0.91 0.20 0.00 -0.52 0.00 0.00 55.73 57.08 2k4h s ARG 20 Cb -0.79 -3.40 1.28 0.00 0.52 0.00 0.00 34.95 32.56 2k4h s ARG 20 CO 0.48 0.20 2.03 -0.07 0.02 0.00 0.00 175.30 177.95 2k4h h LEU 21 N 6.17 0.09 -8.41 2.53 3.38 -0.77 0.23 115.31 118.52 2k4h h LEU 21 Ca -0.43 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.35 2k4h h LEU 21 Cb 1.20 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 2k4h h LEU 21 CO 0.73 0.05 -0.68 -0.13 0.09 0.00 0.00 178.44 178.50 2k4h s ARG 22 N -5.12 0.82 0.28 1.13 0.52 -1.26 -4.13 118.95 111.20 2k4h s ARG 22 Ca -0.06 -1.34 0.06 0.00 -0.52 0.00 0.00 55.73 53.87 2k4h s ARG 22 Cb 0.19 -0.04 0.41 0.00 0.52 0.00 0.00 34.95 36.03 2k4h s ARG 22 CO 0.72 -0.09 1.67 -1.00 0.02 0.00 0.00 175.30 176.62 2k4h h PRO 23 N 2.97 0.23 0.00 3.54 0.13 -1.92 -3.33 132.00 133.61 2k4h h PRO 23 Ca -0.35 -0.12 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 2k4h h PRO 23 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 2k4h h PRO 23 CO 0.64 0.65 -2.44 0.41 -0.23 0.00 0.00 178.00 177.03 2k4h n GLY 24 N -0.06 -0.35 2.00 1.56 0.00 -1.26 -5.00 105.19 102.07 2k4h n GLY 24 Ca -0.02 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2k4h n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 25 N 2.29 -3.41 0.05 -0.02 0.00 -1.25 -4.98 105.19 97.87 2k4h n GLY 25 Ca -0.45 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 44.47 2k4h n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4h n LYS 26 N -3.67 1.21 -2.63 1.61 4.81 -1.26 -4.79 118.16 113.43 2k4h n LYS 26 Ca 0.08 -1.06 -0.32 0.00 -0.87 0.00 0.00 58.31 56.13 2k4h n LYS 26 Cb 0.34 -0.76 -0.04 0.00 0.02 0.00 0.00 35.03 34.59 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k4h s LYS 27 N -0.58 3.98 0.29 1.64 1.02 -1.26 -4.95 119.74 119.89 2k4h s LYS 27 Ca 0.02 0.87 0.12 0.00 0.02 0.00 0.00 55.97 57.00 2k4h s LYS 27 Cb 0.02 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 2k4h s LYS 27 CO 0.00 -0.14 -0.18 0.15 -0.92 0.00 0.00 175.35 174.26 2k4h s LYS 28 N -3.75 1.71 0.51 1.68 1.02 -1.26 -0.06 119.74 119.59 2k4h s LYS 28 Ca 0.58 -1.79 -0.21 0.00 0.02 0.00 0.00 55.97 54.56 2k4h s LYS 28 Cb -0.10 -1.77 -0.06 0.00 -0.52 0.00 0.00 37.83 35.39 2k4h s LYS 28 CO 0.26 0.30 1.20 0.71 -0.92 0.00 0.00 175.35 176.90 2k4h s TYR 29 N -2.52 2.65 0.18 3.18 2.02 -1.16 -4.75 117.35 116.94 2k4h s TYR 29 Ca 0.30 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.40 2k4h s TYR 29 Cb -0.04 -3.46 -0.00 0.00 -0.40 0.00 0.00 41.96 38.06 2k4h s TYR 29 CO 0.15 -1.90 0.35 0.50 -1.57 0.00 0.00 175.55 173.08 2k4h s ARG 30 N -2.94 1.25 0.46 -0.62 3.52 -1.26 -4.48 118.95 114.89 2k4h s ARG 30 Ca 0.69 -1.15 0.27 0.00 -0.13 0.00 0.00 55.73 55.41 2k4h s ARG 30 Cb -0.30 0.41 1.31 0.00 -1.56 0.00 0.00 34.95 34.81 2k4h s ARG 30 CO 0.36 -0.48 1.79 1.25 -0.81 0.00 0.00 175.30 177.41 2k4h h LEU 31 N 2.45 0.24 -0.76 -0.88 5.85 -2.00 0.10 115.31 120.31 2k4h h LEU 31 Ca -0.31 0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.61 2k4h h LEU 31 Cb 1.24 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 2k4h h LEU 31 CO 0.45 0.04 0.29 0.50 -0.34 0.00 0.00 178.44 179.37 2k4h h LYS 32 N 0.21 0.40 0.00 1.25 3.64 -2.00 0.15 116.57 120.23 2k4h h LYS 32 Ca 0.57 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.85 2k4h h LYS 32 Cb 1.83 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 2k4h h LYS 32 CO -0.17 0.27 -0.37 0.45 -2.27 0.00 0.00 179.45 177.36 2k4h h HIS 33 N 0.42 0.00 -0.20 1.91 3.86 -1.20 -2.96 115.15 116.98 2k4h h HIS 33 Ca 0.42 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.46 2k4h h HIS 33 Cb 0.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 2k4h h HIS 33 CO -0.18 0.37 -0.59 0.82 0.86 0.00 0.00 177.93 179.21 2k4h h ILE 34 N 0.00 1.31 -0.11 2.45 2.04 -0.72 -2.97 117.51 119.51 2k4h h ILE 34 Ca -0.00 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.03 2k4h h ILE 34 Cb 0.70 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2k4h h ILE 34 CO 0.05 0.57 0.07 0.58 0.00 0.00 0.00 178.15 179.42 2k4h h VAL 35 N 0.48 1.04 0.00 1.67 2.07 -1.15 -1.85 116.25 118.51 2k4h h VAL 35 Ca 0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2k4h h VAL 35 Cb 1.16 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2k4h h VAL 35 CO 0.12 0.04 -0.06 -0.25 0.02 0.00 0.00 177.57 177.43 2k4h h TRP 36 N 0.14 0.00 0.09 1.57 7.01 -1.57 -2.67 115.95 120.52 2k4h h TRP 36 Ca 0.04 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2k4h h TRP 36 Cb -0.00 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 2k4h h TRP 36 CO -0.07 0.06 -0.04 0.00 -2.79 0.00 0.00 178.44 175.60 2k4h h ALA 37 N 1.94 -0.12 -0.82 2.65 0.00 -1.22 -3.14 119.26 118.55 2k4h h ALA 37 Ca -0.00 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.82 2k4h h ALA 37 Cb 0.11 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2k4h h ALA 37 CO 0.01 -0.34 0.54 0.00 0.00 0.00 0.00 179.25 179.45 2k4h h ALA 38 N 0.29 1.88 -0.24 0.00 0.00 -1.07 0.69 119.26 120.81 2k4h h ALA 38 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2k4h h ALA 38 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k4h h ALA 38 CO 0.02 -0.09 0.17 -0.97 0.00 0.00 0.00 179.25 178.38 2k4h h ASN 39 N 0.63 0.12 -0.00 0.00 -1.24 -1.43 -2.41 115.58 111.25 2k4h h ASN 39 Ca 0.40 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.37 2k4h h ASN 39 Cb 0.66 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.69 2k4h h ASN 39 CO -0.16 0.08 -0.17 0.11 -1.29 0.00 0.00 177.43 176.00 2k4h h LYS 40 N 0.14 0.12 -0.31 6.67 1.79 -0.88 -3.17 116.57 120.92 2k4h h LYS 40 Ca 0.11 -0.12 0.09 0.00 -2.18 0.00 0.00 60.65 58.55 2k4h h LYS 40 Cb 0.26 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2k4h h LYS 40 CO -0.01 0.87 0.37 -0.07 -1.08 0.00 0.00 179.45 179.53 2k4h h LEU 41 N -0.59 0.00 0.09 2.94 3.38 -1.16 -1.49 115.31 118.48 2k4h h LEU 41 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k4h h LEU 41 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2k4h h LEU 41 CO 0.03 0.00 -0.04 -0.78 0.09 0.00 0.00 178.44 177.74 2k4h h ASP 42 N 0.00 -0.10 -0.39 -0.43 3.58 -1.45 0.35 116.42 117.97 2k4h h ASP 42 Ca 0.15 -0.49 0.11 0.00 0.42 0.00 0.00 57.03 57.23 2k4h h ASP 42 Cb 0.89 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 2k4h h ASP 42 CO -0.00 0.50 0.54 0.03 -2.88 0.00 0.00 179.24 177.43 2k4h h ARG 43 N -0.78 0.00 0.02 0.28 3.08 -1.25 -1.16 114.38 114.57 2k4h h ARG 43 Ca -0.01 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.64 2k4h h ARG 43 Cb 0.58 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 2k4h h ARG 43 CO 0.02 0.00 -2.34 1.19 -1.07 0.00 0.00 179.97 177.77 2k4h n PHE 44 N -3.45 0.27 0.00 3.04 3.72 -1.12 -5.04 117.46 114.88 2k4h n PHE 44 Ca 0.07 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2k4h n PHE 44 Cb 0.70 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 2k4h n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k4h n GLY 45 N 1.94 4.22 3.39 1.37 0.00 0.12 -5.11 105.19 111.10 2k4h n GLY 45 Ca -0.45 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 2k4h n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4h n LEU 46 N 0.00 -1.32 -4.76 0.99 4.32 -0.71 -4.78 117.00 110.74 2k4h n LEU 46 Ca 0.00 0.97 -0.40 0.00 -0.02 0.00 0.00 56.01 56.55 2k4h n LEU 46 Cb 0.00 -0.99 -0.04 0.00 -1.62 0.00 0.00 43.42 40.77 2k4h n LEU 46 CO 0.00 -3.28 0.79 0.00 -1.22 0.00 0.00 177.39 173.67 2k4h s ALA 47 N -1.36 3.40 0.02 -1.18 0.00 -1.26 -4.10 121.76 117.28 2k4h s ALA 47 Ca 0.62 0.87 0.31 0.00 0.00 0.00 0.00 51.96 53.76 2k4h s ALA 47 Cb -0.73 -3.32 1.16 0.00 0.00 0.00 0.00 23.12 20.23 2k4h s ALA 47 CO 0.59 -0.15 1.91 1.05 0.00 0.00 0.00 175.76 179.17 2k4h h GLU 48 N 4.00 0.00 0.00 0.00 4.11 -1.89 -2.73 114.58 118.07 2k4h h GLU 48 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2k4h h GLU 48 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k4h h GLU 48 CO 0.68 0.02 0.00 -1.13 0.07 0.00 0.00 179.01 178.65 2k4h n SER 49 N -3.11 0.17 0.00 3.06 3.41 -1.26 -1.82 113.62 114.06 2k4h n SER 49 Ca 0.01 0.55 0.15 0.00 -0.26 0.00 0.00 58.87 59.32 2k4h n SER 49 Cb 0.35 -0.58 0.89 0.00 -0.26 0.00 0.00 64.21 64.62 2k4h n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k4h n LEU 50 N -1.69 0.00 0.00 1.04 4.77 -1.03 -3.17 117.00 116.92 2k4h n LEU 50 Ca 0.02 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.18 2k4h n LEU 50 Cb 0.15 -0.02 0.89 0.00 -2.33 0.00 0.00 43.42 42.10 2k4h n LEU 50 CO 0.12 -0.00 1.06 0.18 -1.33 0.00 0.00 177.39 177.42 2k4h n LEU 51 N -1.02 0.00 -1.56 2.23 4.77 -0.76 -3.26 117.00 117.40 2k4h n LEU 51 Ca 0.22 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 2k4h n LEU 51 Cb 0.11 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 2k4h n LEU 51 CO 0.18 0.00 0.33 -1.84 -1.33 0.00 0.00 177.39 174.72 2k4h n GLU 52 N -0.98 2.86 -3.64 3.23 0.28 -1.19 -4.97 120.64 116.22 2k4h n GLU 52 Ca 0.22 -3.81 -0.06 0.00 -0.16 0.00 0.00 57.16 53.35 2k4h n GLU 52 Cb 0.10 -2.05 -0.07 0.00 1.43 0.00 0.00 31.44 30.85 2k4h n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4h s SER 53 N -3.34 -0.71 0.14 -1.84 0.15 -1.20 -5.05 113.70 101.85 2k4h s SER 53 Ca 0.47 1.17 -0.19 0.00 0.70 0.00 0.00 55.95 58.11 2k4h s SER 53 Cb 0.40 1.27 0.01 0.00 -1.71 0.00 0.00 66.02 65.99 2k4h s SER 53 CO 0.00 -0.19 1.71 0.07 1.20 0.00 0.00 173.24 176.03 2k4h h LYS 54 N 6.14 0.06 -0.55 5.44 2.10 -1.86 -1.05 116.57 126.85 2k4h h LYS 54 Ca -0.29 -0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.44 2k4h h LYS 54 Cb 1.20 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 32.45 2k4h h LYS 54 CO 0.16 0.04 0.16 1.49 -2.00 0.00 0.00 179.45 179.30 2k4h h GLU 55 N 0.06 0.31 -0.63 0.07 4.81 -1.96 0.28 114.58 117.52 2k4h h GLU 55 Ca 0.13 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2k4h h GLU 55 Cb 0.17 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2k4h h GLU 55 CO -0.23 0.20 0.31 0.78 -0.73 0.00 0.00 179.01 179.35 2k4h h GLY 56 N 0.32 0.96 1.67 1.92 0.00 -1.61 -2.64 103.07 103.69 2k4h h GLY 56 Ca 0.28 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 2k4h h GLY 56 CO -0.31 0.45 -0.42 0.00 0.00 0.00 0.00 176.54 176.25 2k4h h GLN 58 N 0.30 0.97 0.00 0.00 4.15 -0.12 0.38 115.11 120.78 2k4h h GLN 58 Ca 0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2k4h h GLN 58 Cb 0.87 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2k4h h GLN 58 CO 0.07 0.64 0.00 -0.22 -1.93 0.00 0.00 178.83 177.39 2k4h h LYS 59 N 0.99 0.00 0.16 1.69 3.11 -1.39 -2.74 116.57 118.39 2k4h h LYS 59 Ca 0.31 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.85 2k4h h LYS 59 Cb -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2k4h h LYS 59 CO -0.10 0.00 -1.49 0.82 -2.81 0.00 0.00 179.45 175.86 2k4h h ILE 60 N 0.00 1.05 -0.45 2.00 2.04 -1.02 -3.25 117.51 117.89 2k4h h ILE 60 Ca 0.00 -2.47 -0.05 0.00 1.00 0.00 0.00 64.86 63.33 2k4h h ILE 60 Cb 0.52 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 2k4h h ILE 60 CO 0.00 0.77 0.05 -0.07 0.00 0.00 0.00 178.15 178.90 2k4h h LEU 61 N -0.12 0.65 -1.08 1.44 3.38 -0.91 -0.30 115.31 118.36 2k4h h LEU 61 Ca -0.30 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 2k4h h LEU 61 Cb 1.91 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 2k4h h LEU 61 CO 0.13 0.69 -0.22 0.00 0.09 0.00 0.00 178.44 179.13 2k4h h THR 62 N 0.67 1.24 0.01 0.22 1.03 -1.62 0.29 112.91 114.75 2k4h h THR 62 Ca 0.14 -1.14 -0.23 0.00 -0.01 0.00 0.00 66.41 65.18 2k4h h THR 62 Cb 0.34 1.32 -0.03 0.00 -1.07 0.00 0.00 68.15 68.71 2k4h h THR 62 CO 0.01 0.36 -1.13 0.58 -0.01 0.00 0.00 175.52 175.33 2k4h h VAL 63 N 0.35 1.57 0.00 0.00 2.07 -1.47 -3.30 116.25 115.48 2k4h h VAL 63 Ca 0.06 -3.29 -0.14 0.00 0.82 0.00 0.00 66.70 64.15 2k4h h VAL 63 Cb 0.58 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 2k4h h VAL 63 CO 0.04 0.90 -0.81 -0.07 0.02 0.00 0.00 177.57 177.65 2k4h h LEU 64 N 0.01 0.00 0.33 2.57 3.38 -0.83 -3.24 115.31 117.53 2k4h h LEU 64 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k4h h LEU 64 Cb 1.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 2k4h h LEU 64 CO 0.13 0.59 -0.46 -0.78 0.09 0.00 0.00 178.44 178.00 2k4h h ASP 65 N 0.00 -1.32 0.67 -0.43 3.58 -0.50 -1.84 116.42 116.57 2k4h h ASP 65 Ca -0.05 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k4h h ASP 65 Cb 1.49 0.46 0.00 0.00 1.72 0.00 0.00 39.33 43.00 2k4h h ASP 65 CO 0.07 -0.57 0.00 -0.81 -2.88 0.00 0.00 179.24 175.05 2k4h n PRO 66 N -5.19 0.15 0.06 0.28 -0.04 -1.26 -2.22 135.00 126.80 2k4h n PRO 66 Ca -0.10 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2k4h n PRO 66 Cb 0.40 -1.79 0.47 0.00 -0.04 0.00 0.00 33.50 32.54 2k4h n PRO 66 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2k4h n MET 67 N -2.08 0.14 0.36 0.54 1.56 -0.72 -3.71 117.12 113.22 2k4h n MET 67 Ca 0.02 0.19 -0.16 0.00 -0.27 0.00 0.00 57.70 57.48 2k4h n MET 67 Cb 0.21 -1.69 -0.08 0.00 2.15 0.00 0.00 33.22 33.82 2k4h n MET 67 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2k4h h VAL 68 N 0.00 0.16 0.00 1.12 2.07 -1.19 0.33 116.25 118.75 2k4h h VAL 68 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2k4h h VAL 68 Cb 0.54 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2k4h h VAL 68 CO 0.00 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4h n PRO 69 N -5.43 0.29 -2.79 1.57 -0.04 -1.25 -3.26 135.00 124.09 2k4h n PRO 69 Ca -0.13 0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 2k4h n PRO 69 Cb 0.39 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2k4h n PRO 69 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k4h n THR 70 N -1.21 0.53 -3.54 0.52 5.66 -1.10 -5.11 114.28 110.03 2k4h n THR 70 Ca 0.08 -3.12 0.00 0.00 -3.05 0.00 0.00 64.05 57.97 2k4h n THR 70 Cb 0.10 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k4h n GLY 71 N -0.03 3.80 0.00 1.09 0.00 0.09 -4.79 105.19 105.35 2k4h n GLY 71 Ca 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2k4h n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4h n SER 72 N -1.96 0.42 -0.05 1.61 3.41 -1.26 -5.02 113.62 110.77 2k4h n SER 72 Ca 0.00 -1.00 -0.14 0.00 -0.26 0.00 0.00 58.87 57.47 2k4h n SER 72 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2k4h n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k4h h GLU 73 N 0.00 0.38 -0.44 4.33 4.81 -2.00 -3.11 114.58 118.55 2k4h h GLU 73 Ca 0.00 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 2k4h h GLU 73 Cb 0.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2k4h h GLU 73 CO 0.00 0.82 0.20 -0.91 -0.73 0.00 0.00 179.01 178.39 2k4h h ASN 74 N -0.03 0.58 -0.98 1.04 2.35 -2.01 -2.62 115.58 113.92 2k4h h ASN 74 Ca 0.01 -0.14 0.19 0.00 -0.55 0.00 0.00 56.30 55.81 2k4h h ASN 74 Cb 0.80 -0.15 -0.09 0.00 0.05 0.00 0.00 38.32 38.93 2k4h h ASN 74 CO 0.05 0.56 0.61 0.25 -1.65 0.00 0.00 177.43 177.26 2k4h h LEU 75 N 0.56 0.69 -0.71 1.61 6.46 -1.95 0.27 115.31 122.24 2k4h h LEU 75 Ca 0.15 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 2k4h h LEU 75 Cb 0.14 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 2k4h h LEU 75 CO -0.02 0.26 0.45 0.50 -0.62 0.00 0.00 178.44 179.01 2k4h h LYS 76 N 0.68 0.86 -0.78 1.25 3.64 -1.39 -2.24 116.57 118.59 2k4h h LYS 76 Ca 0.54 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2k4h h LYS 76 Cb 0.95 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 2k4h h LYS 76 CO -0.31 0.57 0.48 0.77 -2.27 0.00 0.00 179.45 178.68 2k4h h SER 77 N 0.88 0.92 -0.28 4.20 0.02 -0.94 -2.74 113.55 115.62 2k4h h SER 77 Ca 0.28 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2k4h h SER 77 Cb -0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2k4h h SER 77 CO -0.10 0.71 0.15 0.25 -1.14 0.00 0.00 176.83 176.70 2k4h h LEU 78 N 1.06 0.23 -1.81 5.07 5.85 -1.07 -1.40 115.31 123.24 2k4h h LEU 78 Ca 0.28 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.19 2k4h h LEU 78 Cb -0.05 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2k4h h LEU 78 CO -0.05 0.17 0.50 0.15 -0.34 0.00 0.00 178.44 178.87 2k4h h PHE 79 N 0.31 0.22 0.10 1.25 3.57 -1.13 0.17 116.94 121.43 2k4h h PHE 79 Ca 0.11 0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.34 2k4h h PHE 79 Cb 0.02 -0.07 0.02 0.00 2.79 0.00 0.00 35.95 38.71 2k4h h PHE 79 CO -0.09 0.07 -1.20 -0.91 -2.23 0.00 0.00 178.31 173.96 2k4h h ASN 80 N 0.18 0.73 -0.13 0.41 4.21 -1.15 -3.18 115.58 116.64 2k4h h ASN 80 Ca 0.35 -0.68 -0.04 0.00 1.21 0.00 0.00 56.30 57.15 2k4h h ASN 80 Cb 1.12 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 38.09 2k4h h ASN 80 CO -0.06 1.49 -0.07 0.74 -1.29 0.00 0.00 177.43 178.24 2k4h h THR 81 N 0.23 1.32 -0.18 2.81 2.02 0.02 -2.93 112.91 116.20 2k4h h THR 81 Ca -0.16 -1.11 0.05 0.00 0.77 0.00 0.00 66.41 65.96 2k4h h THR 81 Cb 1.87 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 2k4h h THR 81 CO 0.22 0.32 0.18 0.58 0.37 0.00 0.00 175.52 177.19 2k4h h VAL 82 N -0.06 0.56 -0.24 3.16 2.07 -0.88 -0.17 116.25 120.69 2k4h h VAL 82 Ca 0.03 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 2k4h h VAL 82 Cb 0.54 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2k4h h VAL 82 CO 0.02 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.26 2k4h h VAL 84 N 0.45 1.32 0.28 0.00 2.07 -1.04 -3.08 116.25 116.25 2k4h h VAL 84 Ca 0.05 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 2k4h h VAL 84 Cb 0.82 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2k4h h VAL 84 CO 0.07 0.65 -0.13 0.40 0.02 0.00 0.00 177.57 178.57 2k4h h ILE 85 N 0.27 0.73 -0.71 4.57 1.08 -1.39 -2.74 117.51 119.33 2k4h h ILE 85 Ca -0.10 -0.06 0.13 0.00 -0.39 0.00 0.00 64.86 64.44 2k4h h ILE 85 Cb 1.52 0.77 -0.09 0.00 -3.07 0.00 0.00 36.82 35.95 2k4h h ILE 85 CO 0.17 0.01 0.27 -0.25 -0.69 0.00 0.00 178.15 177.66 2k4h h TRP 86 N -0.41 0.46 -0.09 1.37 7.01 -1.51 -2.05 115.95 120.74 2k4h h TRP 86 Ca -0.04 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.04 2k4h h TRP 86 Cb 0.31 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.22 2k4h h TRP 86 CO -0.05 0.07 -0.29 0.00 -2.79 0.00 0.00 178.44 175.38 2k4h h ILE 88 N -0.39 0.51 0.04 0.00 2.04 -1.09 0.34 117.51 118.97 2k4h h ILE 88 Ca 0.09 -0.13 -0.23 0.00 1.00 0.00 0.00 64.86 65.59 2k4h h ILE 88 Cb 0.52 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2k4h h ILE 88 CO -0.31 0.07 -1.05 0.45 0.00 0.00 0.00 178.15 177.32 2k4h h HIS 89 N 0.39 0.22 -0.31 1.37 3.86 -0.92 -3.19 115.15 116.57 2k4h h HIS 89 Ca 0.61 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2k4h h HIS 89 Cb 1.54 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.00 2k4h h HIS 89 CO -0.00 1.08 0.00 0.00 0.86 0.00 0.00 177.93 179.86 2k4h n ALA 90 N -2.43 2.71 -0.97 2.45 0.00 0.92 -4.70 120.51 118.47 2k4h n ALA 90 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2k4h n ALA 90 Cb 0.93 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2k4h n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4h n GLU 91 N 0.40 -1.01 -2.60 0.00 2.13 -0.35 -4.96 120.64 114.25 2k4h n GLU 91 Ca 0.12 0.25 -0.41 0.00 0.66 0.00 0.00 57.16 57.78 2k4h n GLU 91 Cb 0.43 -4.06 -0.04 0.00 0.27 0.00 0.00 31.44 28.04 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k4h s GLU 92 N -1.06 4.61 -0.05 5.31 0.41 0.38 -4.97 118.70 123.33 2k4h s GLU 92 Ca 0.00 1.60 0.06 0.00 -0.41 0.00 0.00 54.97 56.22 2k4h s GLU 92 Cb 0.00 -3.34 -0.01 0.00 -1.78 0.00 0.00 34.13 29.00 2k4h s GLU 92 CO 0.00 0.07 -0.23 -1.59 -0.49 0.00 0.00 175.26 173.02 2k4h s LYS 93 N 0.08 2.51 0.00 1.61 0.00 -1.26 -3.74 119.74 118.95 2k4h s LYS 93 Ca 0.50 -0.88 0.02 0.00 0.00 0.00 0.00 55.97 55.61 2k4h s LYS 93 Cb -0.26 -2.19 -0.01 0.00 0.00 0.00 0.00 37.83 35.37 2k4h s LYS 93 CO 0.32 0.43 -0.06 0.14 0.00 0.00 0.00 175.35 176.18 2k4h s VAL 94 N -0.28 0.48 0.03 1.79 -7.23 -1.26 -5.02 120.40 108.90 2k4h s VAL 94 Ca 0.00 -0.36 -0.25 0.00 -1.81 0.00 0.00 61.98 59.56 2k4h s VAL 94 Cb -0.13 -0.42 -0.18 0.00 0.56 0.00 0.00 36.38 36.21 2k4h s VAL 94 CO 0.03 0.07 1.44 0.50 -0.31 0.00 0.00 175.10 176.82 2k4h h LYS 95 N 5.81 -0.11 -5.15 4.82 3.64 -1.96 -3.43 116.57 120.20 2k4h h LYS 95 Ca -0.29 0.01 -0.35 0.00 -1.27 0.00 0.00 60.65 58.74 2k4h h LYS 95 Cb 1.19 0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 32.87 2k4h h LYS 95 CO 0.49 0.17 -0.73 0.16 -2.27 0.00 0.00 179.45 177.27 2k4h s ASP 96 N -5.35 1.77 0.22 4.20 1.47 -1.26 -1.57 116.67 116.14 2k4h s ASP 96 Ca -0.15 -0.90 -0.11 0.00 1.18 0.00 0.00 52.55 52.58 2k4h s ASP 96 Cb 0.03 -0.02 0.31 0.00 -0.34 0.00 0.00 42.92 42.90 2k4h s ASP 96 CO 0.64 -0.25 1.64 0.74 0.68 0.00 0.00 175.17 178.62 2k4h h THR 97 N 3.22 0.40 -0.74 2.11 2.02 -0.69 0.53 112.91 119.76 2k4h h THR 97 Ca -0.38 -0.02 0.21 0.00 0.77 0.00 0.00 66.41 66.99 2k4h h THR 97 Cb 1.19 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2k4h h THR 97 CO 0.57 0.01 0.60 -0.33 0.37 0.00 0.00 175.52 176.74 2k4h h GLU 98 N 0.07 0.00 0.01 6.66 4.39 -1.84 0.30 114.58 124.17 2k4h h GLU 98 Ca 0.34 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.85 2k4h h GLU 98 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2k4h h GLU 98 CO -0.61 0.00 -0.88 0.78 -1.16 0.00 0.00 179.01 177.14 2k4h h GLY 99 N 0.00 0.15 1.84 -3.84 0.00 -0.33 -3.22 103.07 97.66 2k4h h GLY 99 Ca 0.35 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 2k4h h GLY 99 CO -0.00 0.24 -0.60 0.00 0.00 0.00 0.00 176.54 176.18 2k4h h ALA 100 N 1.02 0.89 0.00 3.60 0.00 -0.18 -2.70 119.26 121.89 2k4h h ALA 100 Ca -0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2k4h h ALA 100 Cb 1.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2k4h h ALA 100 CO 0.13 0.74 -0.31 -0.22 0.00 0.00 0.00 179.25 179.59 2k4h h LYS 101 N 0.13 0.00 0.20 0.00 3.64 -1.44 -0.89 116.57 118.20 2k4h h LYS 101 Ca -0.01 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2k4h h LYS 101 Cb 1.09 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2k4h h LYS 101 CO 0.09 0.31 -1.42 0.37 -2.27 0.00 0.00 179.45 176.53 2k4h h GLN 102 N 0.00 0.43 -0.12 1.90 4.15 -1.54 -2.38 115.11 117.55 2k4h h GLN 102 Ca -0.00 -0.73 -0.06 0.00 0.77 0.00 0.00 58.65 58.62 2k4h h GLN 102 Cb 0.62 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 2k4h h GLN 102 CO 0.04 1.35 -0.17 0.82 -1.93 0.00 0.00 178.83 178.94 2k4h h ILE 103 N 0.12 1.37 -0.14 2.39 2.04 -1.30 -2.57 117.51 119.42 2k4h h ILE 103 Ca -0.22 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 2k4h h ILE 103 Cb 2.09 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 40.15 2k4h h ILE 103 CO 0.24 0.40 -0.01 0.58 0.00 0.00 0.00 178.15 179.37 2k4h h VAL 104 N -0.07 1.26 -0.49 1.67 2.07 -1.30 -2.77 116.25 116.63 2k4h h VAL 104 Ca 0.01 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.76 2k4h h VAL 104 Cb 0.72 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 2k4h h VAL 104 CO 0.04 0.25 0.09 -0.09 0.02 0.00 0.00 177.57 177.88 2k4h h ARG 105 N -0.03 0.22 -0.95 1.57 2.43 -1.50 -0.95 114.38 115.18 2k4h h ARG 105 Ca 0.04 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2k4h h ARG 105 Cb 0.39 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 2k4h h ARG 105 CO 0.01 0.14 0.62 -0.09 -1.51 0.00 0.00 179.97 179.14 2k4h h ARG 106 N 0.22 1.09 0.00 0.20 1.12 -1.42 -1.02 114.38 114.58 2k4h h ARG 106 Ca 0.24 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 59.01 2k4h h ARG 106 Cb 0.33 -0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2k4h h ARG 106 CO -0.32 0.72 -0.17 0.45 -3.11 0.00 0.00 179.97 177.54 2k4h h HIS 107 N 1.12 0.00 0.11 2.20 3.86 -0.89 0.66 115.15 122.22 2k4h h HIS 107 Ca 0.40 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.44 2k4h h HIS 107 Cb 0.13 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.62 2k4h h HIS 107 CO -0.00 0.17 -0.70 -0.07 0.86 0.00 0.00 177.93 178.18 2k4h h LEU 108 N 0.00 0.43 -1.19 2.43 3.38 -0.78 -3.18 115.31 116.40 2k4h h LEU 108 Ca -0.00 -0.93 -0.08 0.00 0.09 0.00 0.00 57.88 56.96 2k4h h LEU 108 Cb 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2k4h h LEU 108 CO 0.02 1.33 -0.33 0.58 0.09 0.00 0.00 178.44 180.13 2k4h h VAL 109 N -0.40 1.26 0.00 1.22 2.07 -1.22 -2.48 116.25 116.70 2k4h h VAL 109 Ca -0.12 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 2k4h h VAL 109 Cb 1.53 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2k4h h VAL 109 CO 0.13 0.36 -0.29 0.00 0.02 0.00 0.00 177.57 177.79 2k4h h ALA 110 N 1.55 1.19 -0.81 1.67 0.00 -0.95 -2.93 119.26 118.98 2k4h h ALA 110 Ca 0.01 -0.27 -0.55 0.00 0.00 0.00 0.00 54.91 54.11 2k4h h ALA 110 Cb 0.64 -0.05 -0.32 0.00 0.00 0.00 0.00 17.79 18.07 2k4h h ALA 110 CO 0.05 0.37 0.08 0.39 0.00 0.00 0.00 179.25 180.14 2k4h n GLU 111 N -3.71 2.89 -0.09 0.00 1.02 -0.94 -4.55 120.64 115.24 2k4h n GLU 111 Ca -0.01 -3.59 -0.17 0.00 -0.02 0.00 0.00 57.16 53.37 2k4h n GLU 111 Cb 0.40 -2.21 -0.07 0.00 -0.02 0.00 0.00 31.44 29.53 2k4h n GLU 111 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2k4h n THR 112 N -0.89 1.03 -0.25 2.62 -1.04 -1.11 -4.39 114.28 110.26 2k4h n THR 112 Ca 0.51 -0.32 -0.07 0.00 -2.04 0.00 0.00 64.05 62.13 2k4h n THR 112 Cb 0.89 -1.46 0.04 0.00 -1.82 0.00 0.00 70.33 67.98 2k4h n THR 112 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2k4h h GLY 113 N 0.28 1.08 1.98 3.41 0.00 -1.80 -2.22 103.07 105.80 2k4h h GLY 113 Ca -0.44 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.31 2k4h h GLY 113 CO -0.18 0.54 -0.02 0.00 0.00 0.00 0.00 176.54 176.87 2k4h h THR 114 N 0.96 1.03 -0.72 4.70 1.03 -1.84 -2.01 112.91 116.06 2k4h h THR 114 Ca 0.23 -0.12 -0.47 0.00 -0.01 0.00 0.00 66.41 66.04 2k4h h THR 114 Cb 0.18 1.04 -0.28 0.00 -1.07 0.00 0.00 68.15 68.02 2k4h h THR 114 CO -0.02 0.04 0.02 0.00 -0.01 0.00 0.00 175.52 175.54 2k4h n ALA 115 N -2.53 5.24 -1.32 0.00 0.00 -0.92 -4.58 120.51 116.40 2k4h n ALA 115 Ca -0.03 -3.43 -0.04 0.00 0.00 0.00 0.00 53.44 49.94 2k4h n ALA 115 Cb 0.12 -0.96 0.21 0.00 0.00 0.00 0.00 19.45 18.82 2k4h n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4h n GLU 116 N -0.94 2.18 -0.08 0.00 2.13 -0.76 -4.65 120.64 118.53 2k4h n GLU 116 Ca 0.47 -3.09 0.00 0.00 0.66 0.00 0.00 57.16 55.20 2k4h n GLU 116 Cb 0.96 -1.88 0.28 0.00 0.27 0.00 0.00 31.44 31.07 2k4h n GLU 116 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2k4h h LYS 117 N 1.23 0.71 -3.03 5.31 6.56 -1.81 -3.49 116.57 122.05 2k4h h LYS 117 Ca 0.23 -0.10 0.29 0.00 -1.06 0.00 0.00 60.65 60.01 2k4h h LYS 117 Cb 1.79 -0.13 -0.16 0.00 -0.57 0.00 0.00 32.23 33.15 2k4h h LYS 117 CO 0.45 0.58 -1.10 -1.33 -2.06 0.00 0.00 179.45 175.99 2k4h n MET 118 N -4.35 -2.90 -1.18 3.15 2.81 -1.26 -4.92 117.12 108.47 2k4h n MET 118 Ca 0.04 2.38 -0.29 0.00 -1.81 0.00 0.00 57.70 58.01 2k4h n MET 118 Cb 0.15 -3.37 0.16 0.00 -0.71 0.00 0.00 33.22 29.45 2k4h n MET 118 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2k4h s PRO 119 N -4.17 0.78 -0.20 0.03 0.04 -1.26 -4.97 135.00 125.26 2k4h s PRO 119 Ca 0.00 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 2k4h s PRO 119 Cb 0.00 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 2k4h s PRO 119 CO 0.00 -2.52 1.15 -1.54 0.04 0.00 0.00 177.00 174.13 2k4h s SER 120 N -3.44 7.02 -0.07 6.66 1.04 -1.26 -4.88 113.70 118.77 2k4h s SER 120 Ca 0.64 1.54 0.16 0.00 0.48 0.00 0.00 55.95 58.77 2k4h s SER 120 Cb -0.18 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 63.72 2k4h s SER 120 CO 0.57 -0.71 1.14 0.35 0.98 0.00 0.00 173.24 175.57 2k4h n THR 121 N 5.34 0.76 -3.90 2.02 -2.24 -1.26 -5.09 114.28 109.91 2k4h n THR 121 Ca 0.13 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 2k4h n THR 121 Cb 0.45 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.14 2k4h n THR 121 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k4h s SER 122 N -2.19 -0.01 0.28 3.42 1.04 -1.26 -5.16 113.70 109.81 2k4h s SER 122 Ca 0.27 -0.38 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 2k4h s SER 122 Cb 0.29 0.29 -0.08 0.00 0.10 0.00 0.00 66.02 66.61 2k4h s SER 122 CO -0.09 -0.57 0.70 0.00 0.98 0.00 0.00 173.24 174.27 2k4h s ARG 123 N -2.15 4.04 0.78 4.02 1.70 -1.26 -5.07 118.95 121.02 2k4h s ARG 123 Ca 0.25 0.67 -0.11 0.00 -0.47 0.00 0.00 55.73 56.07 2k4h s ARG 123 Cb -0.01 -2.59 0.06 0.00 -0.57 0.00 0.00 34.95 31.84 2k4h s ARG 123 CO 0.01 0.25 1.09 -1.25 -1.08 0.00 0.00 175.30 174.32 2k4h s PRO 124 N -2.66 2.20 0.01 3.89 0.04 -1.26 -5.07 135.00 132.15 2k4h s PRO 124 Ca 0.50 1.15 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2k4h s PRO 124 Cb -0.12 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2k4h s PRO 124 CO 0.19 -1.68 -0.09 -0.08 0.04 0.00 0.00 177.00 175.38 2k4h s THR 125 N -2.90 0.69 -0.01 1.26 -1.32 -1.26 -5.15 115.64 106.95 2k4h s THR 125 Ca 0.61 -0.57 -0.29 0.00 -1.21 0.00 0.00 61.69 60.24 2k4h s THR 125 Cb -0.17 -0.62 0.08 0.00 -1.51 0.00 0.00 72.50 70.28 2k4h s THR 125 CO 0.56 0.06 0.73 0.00 -2.21 0.00 0.00 174.62 173.76 2k4h s ALA 126 N -0.49 -1.76 0.77 11.08 0.00 -1.26 -5.17 121.76 124.94 2k4h s ALA 126 Ca 0.01 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 52.98 2k4h s ALA 126 Cb -0.05 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.29 2k4h s ALA 126 CO 0.00 -0.50 1.09 -1.25 0.00 0.00 0.00 175.76 175.11 2k4h s PRO 127 N -2.03 2.24 -0.23 0.00 0.04 -1.26 -4.96 135.00 128.79 2k4h s PRO 127 Ca -0.05 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 2k4h s PRO 127 Cb -0.00 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2k4h s PRO 127 CO 0.01 -1.66 1.40 0.45 0.04 0.00 0.00 177.00 177.25 2k4h s SER 128 N -3.39 6.64 0.04 6.66 0.15 -1.26 -4.98 113.70 117.56 2k4h s SER 128 Ca 0.61 1.49 -0.17 0.00 0.70 0.00 0.00 55.95 58.58 2k4h s SER 128 Cb -0.17 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2k4h s SER 128 CO 0.56 -1.06 0.38 -0.44 1.20 0.00 0.00 173.24 173.89 2k4h s SER 129 N 3.07 -0.24 -0.07 5.45 0.01 -1.26 -5.18 113.70 115.48 2k4h s SER 129 Ca 0.61 -0.03 -0.30 0.00 1.31 0.00 0.00 55.95 57.54 2k4h s SER 129 Cb -0.21 0.40 0.10 0.00 0.21 0.00 0.00 66.02 66.52 2k4h s SER 129 CO 0.23 -0.64 0.82 -1.83 0.41 0.00 0.00 173.24 172.24 2k4h s GLU 130 N -2.39 0.86 0.23 12.44 -1.05 -1.26 -5.18 118.70 122.34 2k4h s GLU 130 Ca -0.06 0.10 0.08 0.00 -0.15 0.00 0.00 54.97 54.94 2k4h s GLU 130 Cb -0.01 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 2k4h s GLU 130 CO -0.02 -0.29 0.05 0.15 0.95 0.00 0.00 175.26 176.09 2k4h s LYS 131 N -1.57 2.49 0.00 -4.83 -0.14 -1.26 -5.14 119.74 109.30 2k4h s LYS 131 Ca -0.05 -1.21 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 2k4h s LYS 131 Cb -0.00 -2.34 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 2k4h s LYS 131 CO 0.03 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.44 2k4h n GLY 132 N -0.66 0.54 3.72 -3.33 0.00 -1.26 -4.96 105.19 99.24 2k4h n GLY 132 Ca -0.08 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2k4h n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4h s GLY 133 N 0.00 2.33 -0.06 -0.02 0.00 -1.26 -4.84 107.32 103.46 2k4h s GLY 133 Ca 0.00 0.96 0.02 0.00 0.00 0.00 0.00 44.72 45.70 2k4h s GLY 133 CO 0.00 2.10 0.64 -2.01 0.00 0.00 0.00 173.10 173.83 2k4h n ASN 134 N 3.62 -0.49 0.00 1.64 5.15 -1.26 -5.35 115.26 118.57 2k4h n ASN 134 Ca 0.09 -1.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 2k4h n ASN 134 Cb 0.45 0.19 0.02 0.00 -0.53 0.00 0.00 39.78 39.91 2k4h n ASN 134 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66