#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 0.00 0.01 4.61 0.00 -1.26 -5.08 120.51 118.79 2k4h n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k4h n ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.93 0.00 0.19 0.00 0.63 -1.26 -5.06 116.66 108.23 2k4h n ARG 4 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2k4h n ARG 4 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 -2.71 -3.36 -4.79 6.15 5.15 -1.26 -5.13 115.26 109.32 2k4h n ASN 5 Ca 0.00 0.77 -0.39 0.00 -0.60 0.00 0.00 54.58 54.37 2k4h n ASN 5 Cb 0.00 3.21 -0.06 0.00 -0.53 0.00 0.00 39.78 42.40 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2k4h s SER 6 N -1.86 7.03 -0.16 1.20 1.04 -1.26 -4.97 113.70 114.73 2k4h s SER 6 Ca 0.00 1.23 0.05 0.00 0.48 0.00 0.00 55.95 57.70 2k4h s SER 6 Cb 0.00 -2.36 -0.13 0.00 0.10 0.00 0.00 66.02 63.63 2k4h s SER 6 CO 0.00 0.20 -0.09 0.52 0.98 0.00 0.00 173.24 174.86 2k4h n VAL 7 N 2.12 0.95 -1.58 5.02 0.31 -1.26 -4.99 118.33 118.90 2k4h n VAL 7 Ca -0.09 -0.43 -0.41 0.00 -0.01 0.00 0.00 64.34 63.40 2k4h n VAL 7 Cb 0.51 -0.96 0.01 0.00 -0.91 0.00 0.00 33.84 32.49 2k4h n VAL 7 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2k4h n LEU 8 N -2.83 2.19 0.00 7.52 4.77 -1.26 -4.99 117.00 122.41 2k4h n LEU 8 Ca -0.27 1.01 -0.16 0.00 -0.03 0.00 0.00 56.01 56.55 2k4h n LEU 8 Cb 0.85 -1.31 0.11 0.00 -2.33 0.00 0.00 43.42 40.74 2k4h n LEU 8 CO 0.20 -1.74 0.49 -1.14 -1.33 0.00 0.00 177.39 173.87 2k4h n ARG 9 N 0.18 -0.73 -0.01 3.23 0.63 -1.26 -4.94 116.66 113.75 2k4h n ARG 9 Ca 0.10 -1.13 -0.00 0.00 -0.92 0.00 0.00 57.85 55.89 2k4h n ARG 9 Cb 0.39 -0.76 -0.00 0.00 0.45 0.00 0.00 32.46 32.54 2k4h n ARG 9 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2k4h h GLY 10 N -0.98 0.00 0.97 5.14 0.00 -1.99 -3.15 103.07 103.07 2k4h h GLY 10 Ca -0.24 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2k4h h GLY 10 CO 0.17 0.00 0.17 1.70 0.00 0.00 0.00 176.54 178.57 2k4h h LYS 11 N -0.16 0.39 -0.84 4.80 3.64 -2.01 -2.69 116.57 119.70 2k4h h LYS 11 Ca 0.00 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2k4h h LYS 11 Cb 0.03 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 2k4h h LYS 11 CO 0.00 0.32 0.50 0.87 -2.27 0.00 0.00 179.45 178.87 2k4h h LYS 12 N 0.36 0.84 -0.95 1.90 6.56 -1.99 -1.24 116.57 122.04 2k4h h LYS 12 Ca 0.10 -0.05 0.15 0.00 -1.06 0.00 0.00 60.65 59.79 2k4h h LYS 12 Cb 0.04 -0.19 -0.08 0.00 -0.57 0.00 0.00 32.23 31.42 2k4h h LYS 12 CO -0.02 0.55 0.60 0.00 -2.06 0.00 0.00 179.45 178.53 2k4h h ALA 13 N 1.44 1.73 -0.19 3.86 0.00 -1.43 0.24 119.26 124.91 2k4h h ALA 13 Ca 0.39 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.39 2k4h h ALA 13 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k4h h ALA 13 CO -0.22 -0.00 0.21 0.22 0.00 0.00 0.00 179.25 179.45 2k4h h ASP 14 N 0.78 0.00 0.04 0.00 1.82 -1.13 0.23 116.42 118.16 2k4h h ASP 14 Ca 0.49 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.79 2k4h h ASP 14 Cb 0.72 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.69 2k4h h ASP 14 CO -0.26 0.00 -1.94 -0.62 -1.61 0.00 0.00 179.24 174.81 2k4h n GLU 15 N -3.78 0.65 -0.23 0.28 -0.58 0.72 -3.66 120.64 114.03 2k4h n GLU 15 Ca 0.02 0.35 -0.06 0.00 -0.42 0.00 0.00 57.16 57.04 2k4h n GLU 15 Cb 0.33 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.59 2k4h n GLU 15 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k4h h LEU 16 N -0.48 0.80 -0.34 -4.62 7.12 -0.70 -1.06 115.31 116.03 2k4h h LEU 16 Ca -0.48 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.46 2k4h h LEU 16 Cb 1.70 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.63 2k4h h LEU 16 CO -0.13 0.64 0.00 -0.62 -0.13 0.00 0.00 178.44 178.20 2k4h n GLU 17 N -4.56 0.14 -0.05 1.25 4.71 0.77 -3.19 120.64 119.71 2k4h n GLU 17 Ca 0.05 0.31 -0.17 0.00 -0.01 0.00 0.00 57.16 57.33 2k4h n GLU 17 Cb 0.07 -1.73 -0.13 0.00 -1.01 0.00 0.00 31.44 28.64 2k4h n GLU 17 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2k4h h ARG 18 N 0.00 0.08 -6.42 3.49 2.43 -1.29 -3.43 114.38 109.24 2k4h h ARG 18 Ca 0.00 -0.14 -0.62 0.00 -0.81 0.00 0.00 59.98 58.41 2k4h h ARG 18 Cb 0.41 0.05 0.06 0.00 -0.42 0.00 0.00 29.97 30.07 2k4h h ARG 18 CO 0.00 1.07 0.64 -0.89 -1.51 0.00 0.00 179.97 179.27 2k4h n ILE 19 N -4.41 0.12 -3.95 1.20 5.41 -0.82 -4.90 119.36 112.01 2k4h n ILE 19 Ca -0.17 -0.03 -0.31 0.00 1.00 0.00 0.00 62.75 63.24 2k4h n ILE 19 Cb 0.63 -1.25 -0.05 0.00 -0.71 0.00 0.00 39.64 38.27 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 0.59 3.33 0.47 0.38 0.52 -1.15 -2.11 118.95 120.98 2k4h s ARG 20 Ca 0.80 -0.46 0.22 0.00 -0.52 0.00 0.00 55.73 55.76 2k4h s ARG 20 Cb -0.78 -2.99 1.15 0.00 0.52 0.00 0.00 34.95 32.85 2k4h s ARG 20 CO 0.43 0.62 1.97 -0.07 0.02 0.00 0.00 175.30 178.26 2k4h h LEU 21 N 3.29 0.00 -8.78 2.53 3.38 -0.78 -0.92 115.31 114.03 2k4h h LEU 21 Ca -0.46 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.12 2k4h h LEU 21 Cb 1.17 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.77 2k4h h LEU 21 CO 0.72 0.20 -0.72 -0.13 0.09 0.00 0.00 178.44 178.60 2k4h s ARG 22 N -4.18 1.21 0.27 1.13 3.00 -1.26 -4.12 118.95 114.99 2k4h s ARG 22 Ca -0.03 -1.53 0.05 0.00 0.00 0.00 0.00 55.73 54.22 2k4h s ARG 22 Cb 0.13 -0.88 0.37 0.00 0.00 0.00 0.00 34.95 34.58 2k4h s ARG 22 CO 0.64 0.13 1.65 -1.00 0.00 0.00 0.00 175.30 176.72 2k4h h PRO 23 N 2.66 0.29 0.00 3.54 0.13 -1.93 -3.26 132.00 133.42 2k4h h PRO 23 Ca -0.37 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 2k4h h PRO 23 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2k4h h PRO 23 CO 0.63 0.69 -0.48 0.41 -0.23 0.00 0.00 178.00 179.02 2k4h n GLY 24 N -0.06 4.23 3.17 1.56 0.00 -1.26 -4.99 105.19 107.85 2k4h n GLY 24 Ca -0.02 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.89 2.38 0.00 -0.02 0.00 -1.23 -5.05 105.19 100.38 2k4h n GLY 25 Ca 0.15 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.80 2.84 -3.23 1.61 3.00 -1.26 -4.88 118.16 114.44 2k4h n LYS 26 Ca 0.06 -1.46 -0.39 0.00 -0.00 0.00 0.00 58.31 56.53 2k4h n LYS 26 Cb 0.50 -0.99 -0.06 0.00 0.00 0.00 0.00 35.03 34.48 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2k4h s LYS 27 N -0.96 4.32 0.03 1.64 1.02 -1.26 -5.02 119.74 119.51 2k4h s LYS 27 Ca 0.00 0.54 0.05 0.00 0.02 0.00 0.00 55.97 56.58 2k4h s LYS 27 Cb 0.00 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 2k4h s LYS 27 CO 0.00 0.05 -0.10 0.15 -0.92 0.00 0.00 175.35 174.53 2k4h s LYS 28 N 0.94 2.38 0.41 1.68 1.02 -1.26 -0.03 119.74 124.88 2k4h s LYS 28 Ca 0.28 -0.83 -0.24 0.00 0.02 0.00 0.00 55.97 55.20 2k4h s LYS 28 Cb -0.16 -2.40 -0.11 0.00 -0.52 0.00 0.00 37.83 34.65 2k4h s LYS 28 CO 0.12 0.57 0.98 0.66 -0.92 0.00 0.00 175.35 176.76 2k4h n TYR 29 N 1.44 1.08 -4.00 3.18 4.01 -0.90 -4.86 117.16 117.11 2k4h n TYR 29 Ca -0.15 0.57 -0.09 0.00 -0.16 0.00 0.00 57.90 58.06 2k4h n TYR 29 Cb 0.52 -2.21 -0.05 0.00 -0.31 0.00 0.00 39.34 37.29 2k4h n TYR 29 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2k4h s ARG 30 N -1.97 1.61 0.44 -0.72 3.52 -1.26 -4.50 118.95 116.08 2k4h s ARG 30 Ca 0.63 -1.30 0.25 0.00 -0.13 0.00 0.00 55.73 55.18 2k4h s ARG 30 Cb -0.57 0.48 1.27 0.00 -1.56 0.00 0.00 34.95 34.57 2k4h s ARG 30 CO 0.57 -0.68 1.77 -0.07 -0.81 0.00 0.00 175.30 176.08 2k4h h LEU 31 N 2.23 0.30 -1.16 -0.88 4.07 -1.99 0.29 115.31 118.16 2k4h h LEU 31 Ca -0.26 0.06 0.20 0.00 0.08 0.00 0.00 57.88 57.97 2k4h h LEU 31 Cb 1.25 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.91 2k4h h LEU 31 CO 0.36 0.03 0.62 0.11 -1.08 0.00 0.00 178.44 178.48 2k4h h LYS 32 N 0.25 0.62 0.04 1.13 6.56 -1.98 0.12 116.57 123.30 2k4h h LYS 32 Ca 0.61 -0.04 -0.23 0.00 -1.06 0.00 0.00 60.65 59.93 2k4h h LYS 32 Cb 1.83 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 33.33 2k4h h LYS 32 CO -0.23 0.41 -1.05 0.45 -2.06 0.00 0.00 179.45 176.97 2k4h h HIS 33 N 0.64 0.17 -0.30 -1.35 3.86 -0.83 -3.22 115.15 114.11 2k4h h HIS 33 Ca 0.56 -0.12 -0.17 0.00 -1.16 0.00 0.00 60.37 59.48 2k4h h HIS 33 Cb 1.05 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 2k4h h HIS 33 CO -0.00 1.07 -0.49 0.82 0.86 0.00 0.00 177.93 180.19 2k4h h ILE 34 N 0.03 1.28 -0.99 2.45 2.04 -0.76 -2.71 117.51 118.84 2k4h h ILE 34 Ca -0.05 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.16 2k4h h ILE 34 Cb 1.80 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 39.43 2k4h h ILE 34 CO 0.15 0.55 0.65 0.58 0.00 0.00 0.00 178.15 180.08 2k4h h VAL 35 N 0.64 1.19 0.00 1.67 2.07 -0.97 0.20 116.25 121.04 2k4h h VAL 35 Ca 0.02 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 2k4h h VAL 35 Cb 1.10 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2k4h h VAL 35 CO 0.11 0.23 -0.39 -0.25 0.02 0.00 0.00 177.57 177.30 2k4h h TRP 36 N 1.28 0.00 0.07 1.57 7.01 -1.56 -2.96 115.95 121.36 2k4h h TRP 36 Ca 0.39 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.38 2k4h h TRP 36 Cb -0.04 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 2k4h h TRP 36 CO -0.00 0.39 -0.03 0.00 -2.79 0.00 0.00 178.44 176.00 2k4h h ALA 37 N 1.61 -0.10 -0.91 2.65 0.00 -0.91 -3.30 119.26 118.31 2k4h h ALA 37 Ca -0.00 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 54.84 2k4h h ALA 37 Cb 0.88 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2k4h h ALA 37 CO 0.05 -0.14 0.60 0.00 0.00 0.00 0.00 179.25 179.76 2k4h h ALA 38 N -0.32 2.17 -0.26 0.00 0.00 -1.06 0.25 119.26 120.05 2k4h h ALA 38 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2k4h h ALA 38 Cb 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k4h h ALA 38 CO 0.02 -0.46 0.19 -0.97 0.00 0.00 0.00 179.25 178.02 2k4h h ASN 39 N 0.43 0.04 -0.02 0.00 -0.73 -1.59 -2.01 115.58 111.70 2k4h h ASN 39 Ca 0.48 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.52 2k4h h ASN 39 Cb 1.15 -0.01 0.01 0.00 0.27 0.00 0.00 38.32 39.74 2k4h h ASN 39 CO -0.19 0.03 -0.48 0.11 -0.37 0.00 0.00 177.43 176.53 2k4h h LYS 40 N 0.05 0.36 -0.37 6.67 1.79 -0.60 -3.13 116.57 121.35 2k4h h LYS 40 Ca 0.12 -0.36 0.11 0.00 -2.18 0.00 0.00 60.65 58.34 2k4h h LYS 40 Cb 0.42 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2k4h h LYS 40 CO -0.01 1.04 0.36 -0.07 -1.08 0.00 0.00 179.45 179.69 2k4h h LEU 41 N -0.17 0.00 0.05 2.94 3.38 -1.23 -1.70 115.31 118.59 2k4h h LEU 41 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k4h h LEU 41 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k4h h LEU 41 CO 0.10 0.00 -0.02 0.44 0.09 0.00 0.00 178.44 179.04 2k4h h ASP 42 N 0.00 -0.06 -0.47 -0.43 5.19 -1.47 0.29 116.42 119.47 2k4h h ASP 42 Ca 0.18 -0.60 0.14 0.00 -0.62 0.00 0.00 57.03 56.12 2k4h h ASP 42 Cb 0.90 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 2k4h h ASP 42 CO -0.00 0.63 0.55 -0.09 -3.12 0.00 0.00 179.24 177.20 2k4h h ARG 43 N -0.81 0.00 0.02 3.56 2.43 -1.26 -1.49 114.38 116.83 2k4h h ARG 43 Ca -0.01 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.77 2k4h h ARG 43 Cb 0.65 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 2k4h h ARG 43 CO 0.01 0.00 -2.29 1.19 -1.51 0.00 0.00 179.97 177.37 2k4h n PHE 44 N -3.58 0.33 0.00 2.20 3.72 -1.06 -5.04 117.46 114.02 2k4h n PHE 44 Ca 0.09 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2k4h n PHE 44 Cb 0.73 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 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 1.85 4.38 3.44 1.37 0.00 0.91 -5.12 105.19 112.03 2k4h n GLY 45 Ca -0.45 -0.82 -0.47 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.55 -4.72 0.99 4.77 -0.59 -4.77 117.00 112.12 2k4h n LEU 46 Ca 0.00 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.71 2k4h n LEU 46 Cb 0.00 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 40.03 2k4h n LEU 46 CO 0.00 -2.62 0.78 0.00 -1.33 0.00 0.00 177.39 174.22 2k4h s ALA 47 N -0.99 3.32 0.21 -1.18 0.00 -1.26 -4.01 121.76 117.84 2k4h s ALA 47 Ca 0.63 0.74 0.35 0.00 0.00 0.00 0.00 51.96 53.69 2k4h s ALA 47 Cb -0.88 -3.37 1.71 0.00 0.00 0.00 0.00 23.12 20.58 2k4h s ALA 47 CO 0.57 -0.25 2.07 1.05 0.00 0.00 0.00 175.76 179.19 2k4h h GLU 48 N 5.96 0.00 0.00 0.00 4.11 -1.89 -1.87 114.58 120.89 2k4h h GLU 48 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 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 0.75 0.00 0.00 0.43 0.07 0.00 0.00 179.01 180.26 2k4h n SER 49 N -2.89 0.15 -0.11 3.06 7.64 -1.26 -1.63 113.62 118.58 2k4h n SER 49 Ca -0.01 0.55 0.11 0.00 1.01 0.00 0.00 58.87 60.53 2k4h n SER 49 Cb 0.18 -0.58 0.61 0.00 -1.01 0.00 0.00 64.21 63.41 2k4h n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4h n LEU 50 N -1.68 0.34 -0.18 -3.43 4.77 -0.70 -3.38 117.00 112.73 2k4h n LEU 50 Ca 0.02 -0.13 0.10 0.00 -0.03 0.00 0.00 56.01 55.97 2k4h n LEU 50 Cb 0.13 -0.02 0.51 0.00 -2.33 0.00 0.00 43.42 41.71 2k4h n LEU 50 CO 0.11 0.07 0.84 0.18 -1.33 0.00 0.00 177.39 177.25 2k4h n LEU 51 N -0.61 0.55 -1.63 2.23 4.77 -0.65 -3.09 117.00 118.57 2k4h n LEU 51 Ca 0.17 -0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 2k4h n LEU 51 Cb 0.13 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 2k4h n LEU 51 CO 0.13 0.11 0.26 -1.84 -1.33 0.00 0.00 177.39 174.72 2k4h n GLU 52 N -0.43 3.03 -3.64 3.23 0.28 -1.22 -4.98 120.64 116.90 2k4h n GLU 52 Ca 0.15 -3.91 -0.03 0.00 -0.16 0.00 0.00 57.16 53.21 2k4h n GLU 52 Cb 0.15 -2.09 -0.07 0.00 1.43 0.00 0.00 31.44 30.86 2k4h n GLU 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k4h s SER 53 N -3.46 -0.50 0.16 -1.84 1.04 -1.23 -5.04 113.70 102.82 2k4h s SER 53 Ca 0.48 0.82 -0.17 0.00 0.48 0.00 0.00 55.95 57.55 2k4h s SER 53 Cb 0.40 1.17 0.07 0.00 0.10 0.00 0.00 66.02 67.76 2k4h s SER 53 CO 0.01 -0.13 1.68 0.07 0.98 0.00 0.00 173.24 175.85 2k4h h LYS 54 N 5.87 0.01 -0.43 4.02 2.10 -1.87 -1.09 116.57 125.18 2k4h h LYS 54 Ca -0.28 -0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.45 2k4h h LYS 54 Cb 1.19 -0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.44 2k4h h LYS 54 CO 0.19 0.01 -0.08 0.93 -2.00 0.00 0.00 179.45 178.50 2k4h h GLU 55 N 0.01 0.03 -0.40 0.07 5.08 -1.96 0.30 114.58 117.71 2k4h h GLU 55 Ca 0.17 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2k4h h GLU 55 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2k4h h GLU 55 CO -0.35 0.02 0.26 0.78 -1.00 0.00 0.00 179.01 178.72 2k4h h GLY 56 N 0.03 0.56 2.00 -3.84 0.00 -1.57 -2.19 103.07 98.06 2k4h h GLY 56 Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2k4h h GLY 56 CO -0.42 0.20 -0.31 0.00 0.00 0.00 0.00 176.54 176.01 2k4h h GLN 58 N 0.00 0.80 0.00 0.00 4.15 0.19 -1.02 115.11 119.22 2k4h h GLN 58 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.30 2k4h h GLN 58 Cb 0.57 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2k4h h GLN 58 CO 0.04 0.65 0.00 0.87 -1.93 0.00 0.00 178.83 178.46 2k4h h LYS 59 N 0.74 0.00 0.17 1.69 1.57 -1.27 -2.84 116.57 116.64 2k4h h LYS 59 Ca 0.19 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.64 2k4h h LYS 59 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2k4h h LYS 59 CO -0.02 0.00 -1.63 0.82 -0.57 0.00 0.00 179.45 178.05 2k4h h ILE 60 N 0.00 0.99 -0.52 1.86 2.04 -1.22 -3.28 117.51 117.39 2k4h h ILE 60 Ca 0.00 -2.49 -0.06 0.00 1.00 0.00 0.00 64.86 63.31 2k4h h ILE 60 Cb 0.43 2.78 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 2k4h h ILE 60 CO 0.00 0.82 0.08 -0.07 0.00 0.00 0.00 178.15 178.97 2k4h h LEU 61 N -0.01 0.77 -1.26 1.44 3.38 -1.08 -1.05 115.31 117.51 2k4h h LEU 61 Ca -0.33 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2k4h h LEU 61 Cb 2.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 2k4h h LEU 61 CO 0.15 0.79 -0.03 0.00 0.09 0.00 0.00 178.44 179.44 2k4h h THR 62 N 0.78 1.19 0.00 0.22 1.03 -1.64 0.34 112.91 114.83 2k4h h THR 62 Ca 0.16 -0.79 -0.21 0.00 -0.01 0.00 0.00 66.41 65.56 2k4h h THR 62 Cb 0.36 1.01 -0.03 0.00 -1.07 0.00 0.00 68.15 68.42 2k4h h THR 62 CO 0.01 0.27 -1.02 0.58 -0.01 0.00 0.00 175.52 175.34 2k4h h VAL 63 N 0.45 1.63 0.00 0.00 2.07 -1.51 -3.27 116.25 115.62 2k4h h VAL 63 Ca 0.09 -3.33 -0.06 0.00 0.82 0.00 0.00 66.70 64.22 2k4h h VAL 63 Cb 0.34 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2k4h h VAL 63 CO 0.01 0.93 -0.61 -0.07 0.02 0.00 0.00 177.57 177.85 2k4h h LEU 64 N 0.00 0.00 0.56 2.57 3.38 -0.79 -3.26 115.31 117.77 2k4h h LEU 64 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2k4h h LEU 64 Cb 1.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2k4h h LEU 64 CO 0.12 0.24 -0.44 0.44 0.09 0.00 0.00 178.44 178.89 2k4h h ASP 65 N 0.00 -1.18 0.71 -0.43 3.32 -0.38 -2.40 116.42 116.06 2k4h h ASP 65 Ca -0.03 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k4h h ASP 65 Cb 1.21 0.37 0.00 0.00 0.22 0.00 0.00 39.33 41.13 2k4h h ASP 65 CO 0.03 -0.63 0.00 -0.81 -1.72 0.00 0.00 179.24 176.11 2k4h n PRO 66 N -5.17 0.19 0.10 3.56 -0.04 -1.26 -2.23 135.00 130.16 2k4h n PRO 66 Ca -0.12 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 2k4h n PRO 66 Cb 0.43 -1.88 0.45 0.00 -0.04 0.00 0.00 33.50 32.46 2k4h n PRO 66 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2k4h n MET 67 N -2.24 0.21 0.37 0.54 2.81 -0.92 -3.64 117.12 114.24 2k4h n MET 67 Ca 0.02 0.27 -0.17 0.00 -1.81 0.00 0.00 57.70 56.01 2k4h n MET 67 Cb 0.22 -1.79 -0.08 0.00 -0.71 0.00 0.00 33.22 30.86 2k4h n MET 67 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2k4h h VAL 68 N 0.00 0.18 0.00 2.03 2.07 -1.21 -0.01 116.25 119.31 2k4h h VAL 68 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2k4h h VAL 68 Cb 0.57 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 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 -5.44 0.26 -2.94 1.57 -0.04 -1.24 -3.38 135.00 123.78 2k4h n PRO 69 Ca -0.13 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 2k4h n PRO 69 Cb 0.39 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.24 0.18 -3.20 0.52 5.66 -1.08 -5.11 114.28 110.02 2k4h n THR 70 Ca 0.08 -3.49 0.00 0.00 -3.05 0.00 0.00 64.05 57.59 2k4h n THR 70 Cb 0.11 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 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 0.13 3.56 3.92 1.09 0.00 -0.04 -4.77 105.19 109.09 2k4h n GLY 71 Ca 0.16 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 2k4h n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4h s SER 72 N -0.10 4.76 0.42 1.61 1.04 -1.26 -5.00 113.70 115.18 2k4h s SER 72 Ca 0.00 -1.11 0.12 0.00 0.48 0.00 0.00 55.95 55.44 2k4h s SER 72 Cb 0.00 0.26 0.91 0.00 0.10 0.00 0.00 66.02 67.30 2k4h s SER 72 CO 0.00 -1.09 1.97 -0.33 0.98 0.00 0.00 173.24 174.77 2k4h h GLU 73 N 0.69 0.11 0.11 4.02 5.08 -2.00 -2.51 114.58 120.08 2k4h h GLU 73 Ca -0.36 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2k4h h GLU 73 Cb 1.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k4h h GLU 73 CO 0.54 0.26 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.85 2k4h h ASN 74 N 0.11 -0.12 -0.66 1.42 2.35 -2.01 -3.23 115.58 113.44 2k4h h ASN 74 Ca 0.02 -0.42 0.12 0.00 -0.55 0.00 0.00 56.30 55.47 2k4h h ASN 74 Cb 0.32 0.03 -0.09 0.00 0.05 0.00 0.00 38.32 38.64 2k4h h ASN 74 CO 0.02 0.41 0.21 0.25 -1.65 0.00 0.00 177.43 176.67 2k4h h LEU 75 N -0.71 0.15 -2.00 1.61 6.46 -1.92 0.21 115.31 119.11 2k4h h LEU 75 Ca -0.01 0.10 0.15 0.00 -0.12 0.00 0.00 57.88 58.00 2k4h h LEU 75 Cb 0.54 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 2k4h h LEU 75 CO 0.02 0.07 0.46 0.11 -0.62 0.00 0.00 178.44 178.48 2k4h h LYS 76 N 0.36 0.00 -0.08 1.25 1.57 -1.50 -0.13 116.57 118.04 2k4h h LYS 76 Ca 0.35 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.00 2k4h h LYS 76 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 2k4h h LYS 76 CO -0.38 0.00 -0.43 1.03 -0.57 0.00 0.00 179.45 179.09 2k4h h SER 77 N 0.00 0.52 -0.67 0.86 0.87 -0.59 -3.25 113.55 111.29 2k4h h SER 77 Ca 0.25 -0.65 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 2k4h h SER 77 Cb 1.16 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2k4h h SER 77 CO -0.00 1.09 0.40 0.25 -0.53 0.00 0.00 176.83 178.04 2k4h h LEU 78 N -0.01 0.82 -1.32 2.23 5.85 -0.84 -1.82 115.31 120.21 2k4h h LEU 78 Ca -0.03 -0.07 0.20 0.00 0.84 0.00 0.00 57.88 58.82 2k4h h LEU 78 Cb 1.09 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 2k4h h LEU 78 CO 0.09 0.65 0.61 0.15 -0.34 0.00 0.00 178.44 179.60 2k4h h PHE 79 N 0.92 0.74 0.08 1.25 3.57 -1.42 0.25 116.94 122.33 2k4h h PHE 79 Ca 0.24 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.54 2k4h h PHE 79 Cb -0.01 -0.22 0.02 0.00 2.79 0.00 0.00 35.95 38.53 2k4h h PHE 79 CO -0.01 0.18 -0.94 -0.91 -2.23 0.00 0.00 178.31 174.40 2k4h h ASN 80 N 0.54 0.69 -0.52 0.41 4.21 -1.44 -3.27 115.58 116.20 2k4h h ASN 80 Ca 0.52 -0.83 -0.01 0.00 1.21 0.00 0.00 56.30 57.19 2k4h h ASN 80 Cb 1.09 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 38.05 2k4h h ASN 80 CO -0.25 1.44 0.28 0.74 -1.29 0.00 0.00 177.43 178.35 2k4h h THR 81 N 0.03 1.18 -0.41 2.81 2.02 -0.36 -2.96 112.91 115.23 2k4h h THR 81 Ca -0.14 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 66.66 2k4h h THR 81 Cb 1.66 0.54 -0.08 0.00 -1.74 0.00 0.00 68.15 68.52 2k4h h THR 81 CO 0.18 0.19 -0.15 0.58 0.37 0.00 0.00 175.52 176.69 2k4h h VAL 82 N 0.69 0.49 -0.90 3.16 2.07 -0.67 -0.69 116.25 120.40 2k4h h VAL 82 Ca 0.18 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.94 2k4h h VAL 82 Cb 0.06 0.49 -0.13 0.00 -1.52 0.00 0.00 31.29 30.19 2k4h h VAL 82 CO -0.03 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.92 2k4h h VAL 84 N 0.32 1.20 0.04 0.00 2.07 -1.14 -0.18 116.25 118.56 2k4h h VAL 84 Ca 0.58 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 2k4h h VAL 84 Cb 1.16 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k4h h VAL 84 CO -0.58 0.22 -0.02 0.40 0.02 0.00 0.00 177.57 177.61 2k4h h ILE 85 N 1.19 1.27 -0.45 4.57 1.08 -0.13 -3.01 117.51 122.04 2k4h h ILE 85 Ca 0.35 -1.08 0.06 0.00 -0.39 0.00 0.00 64.86 63.80 2k4h h ILE 85 Cb -0.08 1.98 -0.05 0.00 -3.07 0.00 0.00 36.82 35.60 2k4h h ILE 85 CO -0.09 0.27 0.13 -0.25 -0.69 0.00 0.00 178.15 177.52 2k4h h TRP 86 N -0.54 0.22 -0.25 1.37 7.01 -0.85 -2.49 115.95 120.43 2k4h h TRP 86 Ca -0.01 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.08 2k4h h TRP 86 Cb 0.49 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.44 2k4h h TRP 86 CO 0.09 0.06 -0.27 0.00 -2.79 0.00 0.00 178.44 175.52 2k4h h ILE 88 N -0.28 0.73 0.00 0.00 2.04 -1.31 0.11 117.51 118.80 2k4h h ILE 88 Ca 0.14 -0.17 -0.19 0.00 1.00 0.00 0.00 64.86 65.64 2k4h h ILE 88 Cb 0.49 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2k4h h ILE 88 CO -0.41 0.09 -0.85 0.45 0.00 0.00 0.00 178.15 177.43 2k4h h HIS 89 N 0.49 0.18 -0.28 1.37 3.86 -0.61 -3.08 115.15 117.08 2k4h h HIS 89 Ca 0.46 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2k4h h HIS 89 Cb 1.01 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2k4h h HIS 89 CO -0.00 0.91 0.00 0.00 0.86 0.00 0.00 177.93 179.70 2k4h n ALA 90 N -2.43 2.64 -0.95 2.45 0.00 0.17 -4.65 120.51 117.74 2k4h n ALA 90 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2k4h n ALA 90 Cb 0.80 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 0.33 -0.86 -2.21 0.00 4.07 -0.81 -4.94 120.64 116.23 2k4h n GLU 91 Ca 0.10 0.21 -0.42 0.00 -0.06 0.00 0.00 57.16 56.99 2k4h n GLU 91 Cb 0.37 -3.97 -0.03 0.00 -0.06 0.00 0.00 31.44 27.75 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2k4h s GLU 92 N -0.97 4.23 -0.20 5.31 0.41 0.02 -4.98 118.70 122.54 2k4h s GLU 92 Ca 0.00 1.96 -0.15 0.00 -0.41 0.00 0.00 54.97 56.37 2k4h s GLU 92 Cb 0.00 -3.77 -0.04 0.00 -1.78 0.00 0.00 34.13 28.54 2k4h s GLU 92 CO 0.00 -0.71 0.35 0.15 -0.49 0.00 0.00 175.26 174.57 2k4h s LYS 93 N 3.27 4.18 0.11 1.61 1.02 -1.26 -4.07 119.74 124.60 2k4h s LYS 93 Ca 0.64 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.77 2k4h s LYS 93 Cb -0.29 -3.51 -0.00 0.00 -0.52 0.00 0.00 37.83 33.50 2k4h s LYS 93 CO 0.24 0.03 0.01 1.33 -0.92 0.00 0.00 175.35 176.05 2k4h n VAL 94 N 4.17 0.00 0.02 3.17 0.24 -1.26 -5.05 118.33 119.62 2k4h n VAL 94 Ca -0.10 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2k4h n VAL 94 Cb 0.51 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2k4h n VAL 94 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2k4h n LYS 95 N -0.26 0.00 -4.19 7.34 4.81 -1.26 -4.93 118.16 119.66 2k4h n LYS 95 Ca -0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.29 2k4h n LYS 95 Cb 0.14 -0.31 -0.10 0.00 0.02 0.00 0.00 35.03 34.78 2k4h n LYS 95 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2k4h s ASP 96 N -5.15 1.28 0.21 3.14 1.47 -1.26 -2.91 116.67 113.45 2k4h s ASP 96 Ca 0.00 -1.03 -0.15 0.00 1.18 0.00 0.00 52.55 52.55 2k4h s ASP 96 Cb 0.00 0.08 0.22 0.00 -0.34 0.00 0.00 42.92 42.88 2k4h s ASP 96 CO 0.00 -0.45 1.61 0.74 0.68 0.00 0.00 175.17 177.75 2k4h h THR 97 N 2.89 0.27 -0.61 2.11 2.02 -1.31 0.58 112.91 118.86 2k4h h THR 97 Ca -0.36 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.93 2k4h h THR 97 Cb 1.18 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2k4h h THR 97 CO 0.64 0.00 0.41 -0.33 0.37 0.00 0.00 175.52 176.61 2k4h h GLU 98 N -0.05 0.35 0.07 6.66 5.08 -1.87 -1.27 114.58 123.55 2k4h h GLU 98 Ca 0.30 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.36 2k4h h GLU 98 Cb 0.52 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.71 2k4h h GLU 98 CO -0.70 0.23 -1.15 0.78 -1.00 0.00 0.00 179.01 177.18 2k4h h GLY 99 N 0.36 0.65 1.24 -3.84 0.00 -0.38 -3.12 103.07 97.97 2k4h h GLY 99 Ca 0.29 -1.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.28 2k4h h GLY 99 CO -0.07 1.12 0.15 0.00 0.00 0.00 0.00 176.54 177.74 2k4h h ALA 100 N 0.42 1.12 0.00 3.60 0.00 0.16 -1.85 119.26 122.71 2k4h h ALA 100 Ca -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k4h h ALA 100 Cb 1.81 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2k4h h ALA 100 CO 0.22 0.59 0.00 -0.22 0.00 0.00 0.00 179.25 179.84 2k4h h LYS 101 N 0.91 0.00 0.25 0.00 3.11 -1.34 -2.43 116.57 117.07 2k4h h LYS 101 Ca 0.20 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.70 2k4h h LYS 101 Cb 0.32 0.00 0.04 0.00 -1.00 0.00 0.00 32.23 31.59 2k4h h LYS 101 CO -0.00 0.00 -1.47 0.37 -2.81 0.00 0.00 179.45 175.54 2k4h h GLN 102 N 0.00 0.54 -0.20 1.90 4.15 -1.28 -2.44 115.11 117.78 2k4h h GLN 102 Ca 0.00 -0.92 -0.17 0.00 0.77 0.00 0.00 58.65 58.33 2k4h h GLN 102 Cb 0.51 0.34 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2k4h h GLN 102 CO 0.00 1.44 -0.56 0.82 -1.93 0.00 0.00 178.83 178.60 2k4h h ILE 103 N 0.15 1.30 -0.15 2.39 2.04 -1.33 -2.72 117.51 119.20 2k4h h ILE 103 Ca -0.25 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 63.80 2k4h h ILE 103 Cb 2.16 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 40.11 2k4h h ILE 103 CO 0.28 0.56 -0.04 0.58 0.00 0.00 0.00 178.15 179.53 2k4h h VAL 104 N 0.45 1.29 0.11 1.67 2.07 -1.56 -2.72 116.25 117.56 2k4h h VAL 104 Ca -0.01 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.52 2k4h h VAL 104 Cb 1.17 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 2k4h h VAL 104 CO 0.12 0.29 -0.27 -0.09 0.02 0.00 0.00 177.57 177.64 2k4h h ARG 105 N -0.02 -0.47 -0.91 1.57 9.65 -1.50 -1.57 114.38 121.13 2k4h h ARG 105 Ca 0.04 0.03 0.17 0.00 -1.10 0.00 0.00 59.98 59.12 2k4h h ARG 105 Cb 0.47 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.08 2k4h h ARG 105 CO 0.02 -0.31 0.59 -0.09 2.80 0.00 0.00 179.97 182.97 2k4h h ARG 106 N -0.48 0.59 0.00 0.20 9.65 -1.52 0.34 114.38 123.16 2k4h h ARG 106 Ca 0.03 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2k4h h ARG 106 Cb 0.51 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2k4h h ARG 106 CO -0.16 0.39 -0.18 0.45 2.80 0.00 0.00 179.97 183.26 2k4h h HIS 107 N 0.61 0.00 0.01 2.20 3.86 -0.97 0.10 115.15 120.96 2k4h h HIS 107 Ca 0.47 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.33 2k4h h HIS 107 Cb 0.89 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.30 2k4h h HIS 107 CO -0.00 0.18 -2.18 1.28 0.86 0.00 0.00 177.93 178.07 2k4h n LEU 108 N -3.61 0.71 0.09 2.43 4.77 0.81 -4.05 117.00 118.16 2k4h n LEU 108 Ca -0.01 0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 2k4h n LEU 108 Cb 0.32 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2k4h n LEU 108 CO 0.32 0.53 0.21 0.58 -1.33 0.00 0.00 177.39 177.70 2k4h h VAL 109 N 0.00 1.57 -0.57 4.08 2.07 -0.43 -2.85 116.25 120.12 2k4h h VAL 109 Ca -0.47 -2.89 -0.07 0.00 0.82 0.00 0.00 66.70 64.09 2k4h h VAL 109 Cb 2.13 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 34.49 2k4h h VAL 109 CO 0.04 0.83 0.08 0.00 0.02 0.00 0.00 177.57 178.54 2k4h h ALA 110 N 0.99 0.76 -0.00 1.67 0.00 -0.98 -0.97 119.26 120.73 2k4h h ALA 110 Ca -0.04 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2k4h h ALA 110 Cb 1.60 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2k4h h ALA 110 CO 0.13 0.52 -0.65 0.93 0.00 0.00 0.00 179.25 180.18 2k4h h GLU 111 N 0.85 0.01 -0.81 0.00 4.39 -1.70 -3.15 114.58 114.17 2k4h h GLU 111 Ca 0.17 -0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.35 2k4h h GLU 111 Cb 0.44 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.80 2k4h h GLU 111 CO 0.01 0.66 0.26 2.41 -1.16 0.00 0.00 179.01 181.19 2k4h n THR 112 N -3.77 3.09 -2.35 1.13 -1.04 -1.07 -4.43 114.28 105.83 2k4h n THR 112 Ca -0.01 -3.01 0.02 0.00 -2.04 0.00 0.00 64.05 59.01 2k4h n THR 112 Cb 0.64 -0.86 0.01 0.00 -1.82 0.00 0.00 70.33 68.30 2k4h n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4h n GLY 113 N -0.96 0.87 0.91 3.41 0.00 -0.39 -4.85 105.19 104.18 2k4h n GLY 113 Ca 0.52 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.99 2k4h n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4h n THR 114 N 0.35 1.22 -0.03 2.61 5.66 -1.26 -4.74 114.28 118.09 2k4h n THR 114 Ca 0.01 -2.16 -0.06 0.00 -3.05 0.00 0.00 64.05 58.79 2k4h n THR 114 Cb 1.01 0.28 -0.13 0.00 -1.55 0.00 0.00 70.33 69.94 2k4h n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4h n ALA 115 N -0.45 1.64 -1.38 1.79 0.00 -1.26 -4.18 120.51 116.66 2k4h n ALA 115 Ca 0.13 -0.86 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 2k4h n ALA 115 Cb 0.87 -0.70 0.12 0.00 0.00 0.00 0.00 19.45 19.74 2k4h n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k4h n GLU 116 N -2.91 2.52 0.00 0.00 0.28 -1.26 -4.35 120.64 114.92 2k4h n GLU 116 Ca -0.19 -3.27 0.00 0.00 -0.16 0.00 0.00 57.16 53.54 2k4h n GLU 116 Cb 1.02 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 31.70 2k4h n GLU 116 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2k4h n LYS 117 N -1.00 0.37 -1.82 3.44 4.81 -1.26 -4.68 118.16 118.01 2k4h n LYS 117 Ca 0.56 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.62 2k4h n LYS 117 Cb 1.08 -0.95 0.03 0.00 0.02 0.00 0.00 35.03 35.21 2k4h n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k4h s MET 118 N -1.91 3.26 0.45 1.64 0.23 -1.26 -4.90 119.30 116.81 2k4h s MET 118 Ca 0.00 2.23 0.31 0.00 -1.03 0.00 0.00 55.69 57.20 2k4h s MET 118 Cb 0.00 -2.32 1.27 0.00 -1.53 0.00 0.00 34.83 32.25 2k4h s MET 118 CO 0.00 -1.10 1.90 -1.00 -2.03 0.00 0.00 175.02 172.80 2k4h h PRO 119 N 1.62 0.00 -0.57 3.16 0.13 -1.97 -3.05 132.00 131.32 2k4h h PRO 119 Ca -0.51 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.76 2k4h h PRO 119 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2k4h h PRO 119 CO 0.58 0.00 0.40 0.66 -0.23 0.00 0.00 178.00 179.41 2k4h h SER 120 N 0.00 0.15 -1.94 1.44 4.64 -1.97 -3.42 113.55 112.45 2k4h h SER 120 Ca 0.00 0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.74 2k4h h SER 120 Cb 0.44 -0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 62.40 2k4h h SER 120 CO 0.00 0.08 -0.62 0.42 -0.87 0.00 0.00 176.83 175.84 2k4h s THR 121 N -5.17 2.63 0.21 2.95 -4.23 -1.15 -5.11 115.64 105.77 2k4h s THR 121 Ca -0.06 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.16 2k4h s THR 121 Cb 0.20 -2.78 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 2k4h s THR 121 CO 0.74 -0.21 1.09 -0.44 -0.54 0.00 0.00 174.62 175.25 2k4h s SER 122 N -3.70 7.30 0.56 3.99 0.01 -1.26 -4.88 113.70 115.71 2k4h s SER 122 Ca 0.34 2.13 -0.17 0.00 1.31 0.00 0.00 55.95 59.57 2k4h s SER 122 Cb -0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2k4h s SER 122 CO 0.19 -0.16 1.04 -0.13 0.41 0.00 0.00 173.24 174.59 2k4h s ARG 123 N -0.76 3.55 0.87 12.44 0.52 -1.26 -4.98 118.95 129.32 2k4h s ARG 123 Ca 0.47 1.18 -0.11 0.00 -0.52 0.00 0.00 55.73 56.75 2k4h s ARG 123 Cb -0.30 -2.07 0.11 0.00 0.52 0.00 0.00 34.95 33.22 2k4h s ARG 123 CO 0.36 -0.62 1.09 -1.25 0.02 0.00 0.00 175.30 174.90 2k4h s PRO 124 N -3.91 1.49 -0.32 3.54 0.04 -1.26 -5.02 135.00 129.55 2k4h s PRO 124 Ca 0.63 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 2k4h s PRO 124 Cb -0.15 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2k4h s PRO 124 CO 0.32 -2.10 0.19 0.99 0.04 0.00 0.00 177.00 176.45 2k4h s THR 125 N -2.93 4.88 0.07 1.26 2.01 -1.26 -5.08 115.64 114.60 2k4h s THR 125 Ca 0.63 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 62.38 2k4h s THR 125 Cb -0.18 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2k4h s THR 125 CO 0.57 0.03 -0.24 0.00 -0.69 0.00 0.00 174.62 174.29 2k4h s ALA 126 N 1.66 2.04 0.69 7.40 0.00 -1.26 -5.14 121.76 127.15 2k4h s ALA 126 Ca 0.05 -1.24 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 2k4h s ALA 126 Cb -0.17 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2k4h s ALA 126 CO 0.08 0.46 1.10 -1.25 0.00 0.00 0.00 175.76 176.15 2k4h s PRO 127 N -1.53 2.65 0.17 0.00 0.04 -1.26 -5.07 135.00 130.01 2k4h s PRO 127 Ca 0.10 1.32 0.11 0.00 0.04 0.00 0.00 61.00 62.57 2k4h s PRO 127 Cb -0.10 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2k4h s PRO 127 CO 0.03 -1.36 -0.23 0.45 0.04 0.00 0.00 177.00 175.93 2k4h s SER 128 N -2.82 3.22 0.11 6.66 0.15 -1.26 -5.14 113.70 114.62 2k4h s SER 128 Ca 0.65 -0.83 -0.26 0.00 0.70 0.00 0.00 55.95 56.21 2k4h s SER 128 Cb -0.19 -0.22 0.08 0.00 -1.71 0.00 0.00 66.02 63.97 2k4h s SER 128 CO 0.46 0.10 1.06 -0.94 1.20 0.00 0.00 173.24 175.11 2k4h s SER 129 N -2.51 -0.13 0.05 5.45 1.04 -1.26 -5.10 113.70 111.24 2k4h s SER 129 Ca 0.18 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.25 2k4h s SER 129 Cb -0.08 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 2k4h s SER 129 CO 0.08 -0.75 -0.00 -0.62 0.98 0.00 0.00 173.24 172.93 2k4h n GLU 130 N -0.50 0.01 -2.67 4.02 1.02 -1.26 -5.06 120.64 116.20 2k4h n GLU 130 Ca -0.06 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.73 2k4h n GLU 130 Cb 0.61 -0.51 -0.05 0.00 -0.02 0.00 0.00 31.44 31.47 2k4h n GLU 130 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2k4h s LYS 131 N -2.01 4.17 0.00 3.49 2.20 -1.26 -5.03 119.74 121.30 2k4h s LYS 131 Ca -0.00 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 2k4h s LYS 131 Cb 0.00 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 2k4h s LYS 131 CO 0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 2k4h n GLY 132 N -0.07 -0.15 0.00 5.54 0.00 -1.26 -5.10 105.19 104.14 2k4h n GLY 132 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2k4h n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 133 N 3.17 0.33 3.01 -0.02 0.00 -1.26 -5.14 105.19 105.28 2k4h n GLY 133 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2k4h n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4h s ASN 134 N 0.00 1.03 0.00 1.61 4.22 -1.26 -5.36 114.94 115.18 2k4h s ASN 134 Ca 0.00 -0.16 0.00 0.00 -2.14 0.00 0.00 52.86 50.56 2k4h s ASN 134 Cb 0.00 -0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.37 2k4h s ASN 134 CO 0.00 0.09 0.29 0.00 -2.04 0.00 0.00 177.10 175.44