#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6e n ALA 0 N 0.00 5.00 0.00 5.20 0.00 -1.26 -4.22 120.51 125.24 3k6e n ALA 0 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.90 3k6e n ALA 0 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.27 3k6e n ALA 0 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3k6e n ILE 2 N 4.42 0.00 -0.27 0.00 5.41 -1.26 -3.13 119.36 124.53 3k6e n ILE 2 Ca 0.51 0.00 0.01 0.00 1.00 0.00 0.00 62.75 64.27 3k6e n ILE 2 Cb 0.20 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.27 3k6e n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k6e h ALA 3 N 0.00 1.07 0.01 -1.39 0.00 -2.00 0.24 119.26 117.19 3k6e h ALA 3 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k6e h ALA 3 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3k6e h ALA 3 CO 0.00 0.10 -0.00 0.87 0.00 0.00 0.00 179.25 180.22 3k6e h LYS 4 N 0.77 -0.01 -0.66 0.00 1.57 -1.91 -1.04 116.57 115.29 3k6e h LYS 4 Ca 0.36 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.23 3k6e h LYS 4 Cb 0.27 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 3k6e h LYS 4 CO -0.21 0.13 0.29 0.93 -0.57 0.00 0.00 179.45 180.01 3k6e h GLU 5 N -0.15 0.48 0.56 3.15 4.39 -1.69 0.21 114.58 121.53 3k6e h GLU 5 Ca -0.00 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3k6e h GLU 5 Cb 0.14 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3k6e h GLU 5 CO 0.00 0.31 -0.27 0.35 -1.16 0.00 0.00 179.01 178.25 3k6e h PHE 6 N 0.49 -0.70 -0.38 4.33 3.57 -0.42 0.95 116.94 124.79 3k6e h PHE 6 Ca 0.33 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.90 3k6e h PHE 6 Cb 0.39 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 3k6e h PHE 6 CO -0.14 -0.39 -0.19 1.49 -2.23 0.00 0.00 178.31 176.84 3k6e h GLU 7 N -0.86 -0.13 -0.40 1.11 4.81 -0.98 0.41 114.58 118.54 3k6e h GLU 7 Ca -0.08 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 3k6e h GLU 7 Cb 0.62 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.94 3k6e h GLU 7 CO 0.13 -0.08 -0.19 1.15 -0.73 0.00 0.00 179.01 179.28 3k6e h THR 8 N -0.13 0.43 0.22 0.32 2.02 -0.47 0.74 112.91 116.04 3k6e h THR 8 Ca 0.19 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.38 3k6e h THR 8 Cb 0.42 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3k6e h THR 8 CO -0.46 0.00 -0.39 0.15 0.37 0.00 0.00 175.52 175.20 3k6e h PHE 9 N -0.12 -1.06 -0.98 3.16 3.57 0.33 -2.39 116.94 119.45 3k6e h PHE 9 Ca 0.20 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 3k6e h PHE 9 Cb 0.42 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 3k6e h PHE 9 CO -0.43 -0.51 0.64 -0.07 -2.23 0.00 0.00 178.31 175.71 3k6e h LEU 10 N -0.69 1.03 -1.48 0.59 4.07 0.12 0.79 115.31 119.74 3k6e h LEU 10 Ca 0.00 0.01 0.24 0.00 0.08 0.00 0.00 57.88 58.21 3k6e h LEU 10 Cb 0.67 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 42.12 3k6e h LEU 10 CO -0.16 0.67 0.65 -0.07 -1.08 0.00 0.00 178.44 178.45 3k6e h LEU 11 N 1.17 0.40 0.00 1.67 3.38 0.74 0.77 115.31 123.44 3k6e h LEU 11 Ca 0.42 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3k6e h LEU 11 Cb 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3k6e h LEU 11 CO -0.16 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.09 3k6e n GLY 12 N -1.51 -0.53 0.47 0.83 0.00 0.27 -3.15 105.19 101.57 3k6e n GLY 12 Ca 0.23 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.28 3k6e n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k6e n GLN 13 N -1.26 2.41 -0.43 1.61 1.13 0.27 -4.74 117.38 116.36 3k6e n GLN 13 Ca 0.04 -2.45 0.35 0.00 -1.94 0.00 0.00 57.00 53.00 3k6e n GLN 13 Cb 0.06 -1.53 0.64 0.00 0.11 0.00 0.00 30.24 29.52 3k6e n GLN 13 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3k6e h GLU 14 N 1.02 0.13 -0.01 -1.09 4.39 -1.63 -1.16 114.58 116.23 3k6e h GLU 14 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3k6e h GLU 14 Cb 1.06 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3k6e h GLU 14 CO 0.09 0.08 -0.04 0.39 -1.16 0.00 0.00 179.01 178.37 3k6e n GLU 15 N -4.60 1.21 -0.12 2.33 1.02 -1.26 -1.56 120.64 117.65 3k6e n GLU 15 Ca 0.35 -0.51 -0.24 0.00 -0.02 0.00 0.00 57.16 56.74 3k6e n GLU 15 Cb 1.35 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 31.20 3k6e n GLU 15 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3k6e n THR 16 N -0.46 1.46 0.14 2.62 -1.04 -0.45 -4.68 114.28 111.88 3k6e n THR 16 Ca 0.19 -0.26 0.05 0.00 -2.04 0.00 0.00 64.05 61.99 3k6e n THR 16 Cb 0.27 -1.96 0.04 0.00 -1.82 0.00 0.00 70.33 66.86 3k6e n THR 16 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 3k6e h PHE 17 N -0.95 0.00 -3.74 -1.42 -0.00 -1.60 -3.42 116.94 105.81 3k6e h PHE 17 Ca -0.53 0.00 -0.66 0.00 -0.00 0.00 0.00 57.97 56.78 3k6e h PHE 17 Cb 1.45 0.00 -0.20 0.00 -0.00 0.00 0.00 35.95 37.20 3k6e h PHE 17 CO -0.16 0.37 -0.53 -1.17 -0.00 0.00 0.00 178.31 176.83 3k6e s LEU 18 N -6.25 4.15 -0.16 2.10 2.96 -0.60 -4.04 118.68 116.83 3k6e s LEU 18 Ca 0.03 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3k6e s LEU 18 Cb 0.07 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3k6e s LEU 18 CO 0.74 -0.15 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.67 3k6e s THR 19 N 1.69 3.59 0.32 3.68 2.01 -0.76 -4.62 115.64 121.56 3k6e s THR 19 Ca 0.06 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 3k6e s THR 19 Cb -0.17 -2.57 -0.09 0.00 0.01 0.00 0.00 72.50 69.68 3k6e s THR 19 CO 0.09 0.48 0.75 -2.16 -0.69 0.00 0.00 174.62 173.09 3k6e s PRO 20 N 0.59 4.04 0.22 4.92 0.04 -1.26 -1.40 135.00 142.16 3k6e s PRO 20 Ca -0.04 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 3k6e s PRO 20 Cb -0.15 -2.47 0.30 0.00 0.04 0.00 0.00 34.50 32.22 3k6e s PRO 20 CO 0.03 0.17 1.63 0.00 0.04 0.00 0.00 177.00 178.87 3k6e h ALA 21 N 2.37 0.52 -0.37 8.56 0.00 -0.18 0.52 119.26 130.68 3k6e h ALA 21 Ca -0.48 0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.82 3k6e h ALA 21 Cb 1.18 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 3k6e h ALA 21 CO 0.65 -0.42 0.22 1.63 0.00 0.00 0.00 179.25 181.34 3k6e n LYS 22 N -5.42 -0.01 -0.06 0.00 5.02 -1.26 -0.59 118.16 115.84 3k6e n LYS 22 Ca 0.09 0.41 0.08 0.00 -2.02 0.00 0.00 58.31 56.87 3k6e n LYS 22 Cb 0.37 -0.77 0.10 0.00 -0.02 0.00 0.00 35.03 34.72 3k6e n LYS 22 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k6e n ASN 23 N -3.47 2.59 -4.62 4.39 5.03 0.18 -5.02 115.26 114.35 3k6e n ASN 23 Ca 0.12 -1.75 -0.25 0.00 0.87 0.00 0.00 54.58 53.57 3k6e n ASN 23 Cb 0.45 -0.08 -0.08 0.00 -1.02 0.00 0.00 39.78 39.05 3k6e n ASN 23 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k6e s LEU 24 N -1.28 3.12 0.09 3.41 1.43 0.25 -5.00 118.68 120.69 3k6e s LEU 24 Ca 0.22 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3k6e s LEU 24 Cb 0.15 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 3k6e s LEU 24 CO 0.21 0.05 1.16 0.00 0.23 0.00 0.00 176.35 178.01 3k6e s ALA 25 N -2.02 3.37 0.01 4.21 0.00 -1.26 -4.99 121.76 121.08 3k6e s ALA 25 Ca 0.28 0.83 0.04 0.00 0.00 0.00 0.00 51.96 53.11 3k6e s ALA 25 Cb -0.08 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3k6e s ALA 25 CO 0.18 -0.37 -0.12 0.14 0.00 0.00 0.00 175.76 175.59 3k6e s VAL 26 N 0.72 0.92 -0.17 0.00 -7.23 -1.26 -4.52 120.40 108.87 3k6e s VAL 26 Ca 0.56 -0.64 -0.10 0.00 -1.81 0.00 0.00 61.98 59.98 3k6e s VAL 26 Cb -0.29 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 3k6e s VAL 26 CO 0.31 0.15 0.18 -0.76 -0.31 0.00 0.00 175.10 174.66 3k6e s LEU 27 N -0.56 4.27 0.46 1.32 1.43 -1.07 -4.97 118.68 119.56 3k6e s LEU 27 Ca 0.03 0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 3k6e s LEU 27 Cb -0.05 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 3k6e s LEU 27 CO 0.00 0.22 1.26 0.27 0.23 0.00 0.00 176.35 178.33 3k6e s ILE 28 N 0.03 2.68 0.03 -0.59 -4.36 -1.26 -1.72 121.20 116.00 3k6e s ILE 28 Ca 0.12 0.55 0.27 0.00 -0.26 0.00 0.00 60.65 61.33 3k6e s ILE 28 Cb -0.12 -3.30 0.27 0.00 1.25 0.00 0.00 42.46 40.57 3k6e s ILE 28 CO 0.01 0.03 1.83 -2.24 0.24 0.00 0.00 174.94 174.82 3k6e h ASP 29 N 2.19 0.00 -0.49 4.36 2.03 -1.29 -2.48 116.42 120.74 3k6e h ASP 29 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3k6e h ASP 29 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3k6e h ASP 29 CO 0.61 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 179.17 3k6e n THR 30 N -2.46 0.64 -2.09 1.15 -2.24 -1.26 -1.09 114.28 106.93 3k6e n THR 30 Ca -0.02 -0.80 -0.42 0.00 -2.27 0.00 0.00 64.05 60.54 3k6e n THR 30 Cb 0.05 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 3k6e n THR 30 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3k6e s HIS 31 N -1.36 3.14 0.47 4.78 2.46 -0.93 -4.69 115.29 119.16 3k6e s HIS 31 Ca 0.42 0.98 -0.23 0.00 0.47 0.00 0.00 55.06 56.69 3k6e s HIS 31 Cb 0.23 -3.75 -0.07 0.00 -0.13 0.00 0.00 32.58 28.86 3k6e s HIS 31 CO 0.32 -2.54 1.25 0.54 -2.47 0.00 0.00 174.74 171.83 3k6e s ASN 32 N 0.69 5.98 0.39 9.88 2.20 -1.26 -1.22 114.94 131.60 3k6e s ASN 32 Ca 0.62 2.50 0.06 0.00 -0.94 0.00 0.00 52.86 55.10 3k6e s ASN 32 Cb -0.40 -2.62 0.78 0.00 -2.00 0.00 0.00 41.25 37.01 3k6e s ASN 32 CO 0.36 -1.06 2.02 0.00 -2.94 0.00 0.00 177.10 175.48 3k6e h ALA 33 N 2.06 1.62 -0.36 3.54 0.00 -1.43 -1.80 119.26 122.88 3k6e h ALA 33 Ca -0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3k6e h ALA 33 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3k6e h ALA 33 CO 0.60 0.32 0.18 0.22 0.00 0.00 0.00 179.25 180.57 3k6e h ASP 34 N 0.58 0.47 0.78 0.00 3.58 -1.86 -1.29 116.42 118.68 3k6e h ASP 34 Ca 0.15 -0.12 -0.19 0.00 0.42 0.00 0.00 57.03 57.29 3k6e h ASP 34 Cb 0.01 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 3k6e h ASP 34 CO -0.03 0.46 -0.90 -0.74 -2.88 0.00 0.00 179.24 175.16 3k6e h HIS 35 N 0.45 0.11 -0.52 0.28 2.76 -1.85 -2.91 115.15 113.48 3k6e h HIS 35 Ca 0.13 -0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.31 3k6e h HIS 35 Cb 0.11 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 28.99 3k6e h HIS 35 CO -0.02 0.92 0.14 0.00 -1.30 0.00 0.00 177.93 177.67 3k6e h ALA 36 N 1.05 0.61 -0.10 5.26 0.00 -1.27 0.37 119.26 125.19 3k6e h ALA 36 Ca -0.03 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3k6e h ALA 36 Cb 1.56 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 3k6e h ALA 36 CO 0.12 -0.27 -0.31 1.15 0.00 0.00 0.00 179.25 179.94 3k6e h THR 37 N 0.28 0.31 -0.12 0.00 2.02 -1.03 0.46 112.91 114.84 3k6e h THR 37 Ca 0.26 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.48 3k6e h THR 37 Cb 0.34 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 3k6e h THR 37 CO -0.31 0.00 -0.11 0.25 0.37 0.00 0.00 175.52 175.71 3k6e h LEU 38 N -0.40 -0.35 -0.39 2.58 5.85 -1.33 -0.81 115.31 120.46 3k6e h LEU 38 Ca 0.09 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.96 3k6e h LEU 38 Cb 0.53 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 3k6e h LEU 38 CO -0.33 -0.15 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.40 3k6e h LEU 39 N -0.14 -0.54 -0.38 2.25 4.07 0.10 -2.41 115.31 118.27 3k6e h LEU 39 Ca 0.08 0.14 0.05 0.00 0.08 0.00 0.00 57.88 58.23 3k6e h LEU 39 Cb 0.26 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 3k6e h LEU 39 CO -0.20 -0.19 0.11 -0.07 -1.08 0.00 0.00 178.44 177.01 3k6e h LEU 40 N -0.08 0.10 -2.05 1.67 3.38 0.23 -2.31 115.31 116.25 3k6e h LEU 40 Ca 0.19 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3k6e h LEU 40 Cb 0.37 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3k6e h LEU 40 CO -0.45 0.09 0.11 0.77 0.09 0.00 0.00 178.44 179.05 3k6e h SER 41 N 0.25 0.00 -0.97 -0.43 4.64 -0.64 -3.44 113.55 112.97 3k6e h SER 41 Ca 0.17 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.93 3k6e h SER 41 Cb 0.17 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.97 3k6e h SER 41 CO -0.20 0.00 0.68 0.00 -0.87 0.00 0.00 176.83 176.44 3k6e n GLN 42 N -2.66 2.42 0.00 4.77 1.13 -0.87 -5.11 117.38 117.06 3k6e n GLN 42 Ca -0.02 -3.15 0.00 0.00 -1.94 0.00 0.00 57.00 51.89 3k6e n GLN 42 Cb 0.16 -2.21 0.00 0.00 0.11 0.00 0.00 30.24 28.30 3k6e n GLN 42 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3k6e n THR 44 N -1.05 0.00 -2.55 5.09 -2.24 -1.26 -5.13 114.28 107.13 3k6e n THR 44 Ca 0.60 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 62.00 3k6e n THR 44 Cb 1.25 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.97 3k6e n THR 44 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3k6e s TYR 45 N -1.91 3.40 0.11 4.78 2.02 -1.26 -4.98 117.35 119.52 3k6e s TYR 45 Ca 0.00 1.68 -0.09 0.00 -0.37 0.00 0.00 57.07 58.29 3k6e s TYR 45 Cb 0.00 -3.14 -0.12 0.00 -0.40 0.00 0.00 41.96 38.30 3k6e s TYR 45 CO 0.00 -0.50 1.30 1.15 -1.57 0.00 0.00 175.55 175.93 3k6e h THR 46 N 2.48 1.33 -4.50 -0.71 2.02 -1.95 -3.46 112.91 108.11 3k6e h THR 46 Ca -0.48 -2.20 -0.70 0.00 0.77 0.00 0.00 66.41 63.81 3k6e h THR 46 Cb 1.21 2.22 -0.29 0.00 -1.74 0.00 0.00 68.15 69.56 3k6e h THR 46 CO 0.64 0.67 -0.89 -0.13 0.37 0.00 0.00 175.52 176.19 3k6e s ARG 47 N -3.49 1.99 0.04 6.66 0.52 -1.26 -4.35 118.95 119.06 3k6e s ARG 47 Ca -0.08 -0.99 0.05 0.00 -0.52 0.00 0.00 55.73 54.19 3k6e s ARG 47 Cb 0.09 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.52 3k6e s ARG 47 CO 0.89 0.54 -0.16 0.14 0.02 0.00 0.00 175.30 176.73 3k6e s VAL 48 N -0.68 1.26 0.52 3.52 -7.23 -0.50 -4.93 120.40 112.36 3k6e s VAL 48 Ca 0.11 -1.04 -0.19 0.00 -1.81 0.00 0.00 61.98 59.05 3k6e s VAL 48 Cb -0.10 -1.12 -0.07 0.00 0.56 0.00 0.00 36.38 35.65 3k6e s VAL 48 CO 0.00 0.07 1.04 -2.16 -0.31 0.00 0.00 175.10 173.74 3k6e s PRO 49 N -1.11 3.69 -0.06 4.82 0.04 -1.26 -1.35 135.00 139.77 3k6e s PRO 49 Ca 0.03 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.40 3k6e s PRO 49 Cb -0.08 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3k6e s PRO 49 CO 0.01 -0.51 -0.25 0.08 0.04 0.00 0.00 177.00 176.37 3k6e s VAL 50 N -2.18 2.03 0.19 -0.36 1.01 0.28 -2.59 120.40 118.78 3k6e s VAL 50 Ca 0.65 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3k6e s VAL 50 Cb -0.15 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3k6e s VAL 50 CO 0.25 0.56 -0.11 0.68 0.00 0.00 0.00 175.10 176.49 3k6e s VAL 51 N -0.13 1.42 0.80 2.92 -7.23 -0.70 -0.10 120.40 117.37 3k6e s VAL 51 Ca -0.04 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 57.88 3k6e s VAL 51 Cb -0.14 -2.01 0.07 0.00 0.56 0.00 0.00 36.38 34.86 3k6e s VAL 51 CO 0.04 -0.62 1.16 0.42 -0.31 0.00 0.00 175.10 175.79 3k6e s THR 52 N -3.17 2.29 0.29 5.32 -4.23 -0.04 -0.76 115.64 115.33 3k6e s THR 52 Ca 0.21 0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 3k6e s THR 52 Cb 0.02 -3.07 0.28 0.00 1.34 0.00 0.00 72.50 71.07 3k6e s THR 52 CO 0.05 -0.12 1.71 -2.24 -0.54 0.00 0.00 174.62 173.48 3k6e h ASP 53 N -1.02 0.39 -0.67 3.99 2.03 -1.98 0.31 116.42 119.46 3k6e h ASP 53 Ca -0.46 0.14 -0.36 0.00 -0.73 0.00 0.00 57.03 55.61 3k6e h ASP 53 Cb 1.32 0.10 -0.21 0.00 -0.83 0.00 0.00 39.33 39.71 3k6e h ASP 53 CO 0.65 0.05 0.46 -1.84 -1.03 0.00 0.00 179.24 177.54 3k6e n GLU 54 N -5.00 1.88 -1.69 4.15 0.28 -1.26 -4.93 120.64 114.08 3k6e n GLU 54 Ca 0.21 -2.04 -0.17 0.00 -0.16 0.00 0.00 57.16 55.00 3k6e n GLU 54 Cb 0.61 -1.80 -0.06 0.00 1.43 0.00 0.00 31.44 31.62 3k6e n GLU 54 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3k6e n LYS 55 N -0.53 -1.21 -2.14 3.44 5.02 0.11 -4.98 118.16 117.86 3k6e n LYS 55 Ca 0.40 1.03 -0.42 0.00 -2.02 0.00 0.00 58.31 57.30 3k6e n LYS 55 Cb 1.19 -5.29 -0.03 0.00 -0.02 0.00 0.00 35.03 30.88 3k6e n LYS 55 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3k6e s GLN 56 N -3.76 4.34 -0.00 1.97 -1.52 -1.26 -3.29 119.66 116.13 3k6e s GLN 56 Ca 0.00 2.14 -0.30 0.00 -1.95 0.00 0.00 55.36 55.24 3k6e s GLN 56 Cb 0.00 -3.18 -0.06 0.00 -0.22 0.00 0.00 33.01 29.55 3k6e s GLN 56 CO 0.00 -0.35 1.51 0.12 -0.25 0.00 0.00 175.29 176.32 3k6e s PHE 57 N 0.33 2.57 -0.25 0.91 5.36 -0.24 -0.86 117.98 125.79 3k6e s PHE 57 Ca 0.60 0.58 -0.12 0.00 -0.96 0.00 0.00 56.93 57.02 3k6e s PHE 57 Cb -0.38 -3.78 -0.11 0.00 -0.34 0.00 0.00 43.02 38.41 3k6e s PHE 57 CO 0.38 -3.03 -0.32 0.28 -1.46 0.00 0.00 175.22 171.07 3k6e n VAL 58 N 4.89 1.36 -3.41 3.12 0.31 0.86 -4.93 118.33 120.53 3k6e n VAL 58 Ca 0.15 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3k6e n VAL 58 Cb 0.43 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 3k6e n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k6e n GLY 59 N 1.47 -1.24 3.62 2.92 0.00 -1.05 -4.63 105.19 106.28 3k6e n GLY 59 Ca -0.49 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 3k6e n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k6e s THR 60 N -3.00 3.29 -0.07 2.61 -4.23 -0.76 0.10 115.64 113.58 3k6e s THR 60 Ca 0.00 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 3k6e s THR 60 Cb 0.00 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 71.10 3k6e s THR 60 CO 0.00 -0.38 0.19 -0.51 -0.54 0.00 0.00 174.62 173.38 3k6e s ILE 61 N -2.36 -0.01 0.19 2.99 2.07 -0.45 -1.11 121.20 122.52 3k6e s ILE 61 Ca 0.31 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.60 3k6e s ILE 61 Cb -0.06 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.21 3k6e s ILE 61 CO 0.19 0.01 0.02 -0.83 -1.91 0.00 0.00 174.94 172.42 3k6e s GLY 62 N 0.26 1.35 0.47 1.50 0.00 -1.26 -1.41 107.32 108.22 3k6e s GLY 62 Ca -0.01 -1.66 0.17 0.00 0.00 0.00 0.00 44.72 43.22 3k6e s GLY 62 CO -0.01 -1.56 2.00 1.41 0.00 0.00 0.00 173.10 174.95 3k6e h LEU 63 N 2.61 0.22 -0.84 0.66 3.38 -1.97 0.07 115.31 119.45 3k6e h LEU 63 Ca -0.37 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 3k6e h LEU 63 Cb 1.21 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3k6e h LEU 63 CO 0.63 0.13 0.21 -0.09 0.09 0.00 0.00 178.44 179.41 3k6e h ARG 64 N 0.25 1.07 -0.78 1.13 2.43 -1.96 -2.93 114.38 113.59 3k6e h ARG 64 Ca 0.24 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3k6e h ARG 64 Cb 0.62 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 3k6e h ARG 64 CO -0.05 0.92 0.47 -0.44 -1.51 0.00 0.00 179.97 179.36 3k6e h ASP 65 N 1.03 0.94 0.00 -3.80 3.32 -1.38 0.23 116.42 116.75 3k6e h ASP 65 Ca 0.23 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3k6e h ASP 65 Cb 0.30 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3k6e h ASP 65 CO -0.01 0.73 0.00 -0.38 -1.72 0.00 0.00 179.24 177.86 3k6e n ILE 66 N -4.48 0.00 0.00 0.35 5.41 -1.07 -2.10 119.36 117.46 3k6e n ILE 66 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3k6e n ILE 66 Cb 0.06 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3k6e n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k6e n ALA 68 N 0.08 0.00 -0.01 -1.39 0.00 0.80 -0.93 120.51 119.06 3k6e n ALA 68 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3k6e n ALA 68 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 3k6e n ALA 68 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3k6e h TYR 69 N 0.00 -0.09 0.00 0.00 3.20 -1.62 0.22 116.97 118.68 3k6e h TYR 69 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3k6e h TYR 69 Cb 0.00 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3k6e h TYR 69 CO 0.00 0.49 0.00 0.94 -1.64 0.00 0.00 178.16 177.95 3k6e n GLN 70 N -4.80 0.00 0.00 1.82 7.27 -0.10 -0.84 117.38 120.73 3k6e n GLN 70 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3k6e n GLN 70 Cb 0.30 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 31.98 3k6e n GLN 70 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 3k6e n GLU 72 N -0.10 0.00 0.00 3.69 2.13 0.77 0.82 120.64 127.94 3k6e n GLU 72 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3k6e n GLU 72 Cb 0.00 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.79 3k6e n GLU 72 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3k6e n HIS 73 N 0.00 0.00 -3.43 4.31 8.25 -0.02 -4.97 115.22 119.36 3k6e n HIS 73 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 3k6e n HIS 73 Cb 0.00 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.18 3k6e n HIS 73 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3k6e n ASP 74 N 1.06 -5.90 -4.72 0.41 2.03 0.24 -4.93 116.55 104.74 3k6e n ASP 74 Ca 0.12 -0.46 -0.38 0.00 0.52 0.00 0.00 54.79 54.59 3k6e n ASP 74 Cb 0.54 -4.53 -0.06 0.00 -0.72 0.00 0.00 41.12 36.35 3k6e n ASP 74 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k6e s LEU 75 N -6.57 4.29 0.98 -2.67 1.43 -0.83 -5.05 118.68 110.27 3k6e s LEU 75 Ca 0.50 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 3k6e s LEU 75 Cb -0.22 -2.81 0.16 0.00 0.03 0.00 0.00 46.19 43.34 3k6e s LEU 75 CO 0.62 -0.04 0.95 -1.54 0.23 0.00 0.00 176.35 176.58 3k6e n SER 76 N 3.73 -0.58 0.03 2.29 3.41 -1.26 -4.93 113.62 116.30 3k6e n SER 76 Ca -0.05 0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.70 3k6e n SER 76 Cb 0.51 -1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.04 3k6e n SER 76 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3k6e h GLN 77 N -2.02 -0.49 -0.56 4.33 4.15 -2.02 -2.89 115.11 115.62 3k6e h GLN 77 Ca -0.47 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.10 3k6e h GLN 77 Cb 1.29 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.06 3k6e h GLN 77 CO 0.41 -0.33 0.38 1.05 -1.93 0.00 0.00 178.83 178.42 3k6e h GLU 78 N -0.51 0.21 -1.65 1.69 4.11 -2.04 -1.87 114.58 114.53 3k6e h GLU 78 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3k6e h GLU 78 Cb 0.62 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3k6e h GLU 78 CO -0.35 0.14 0.00 -0.89 0.07 0.00 0.00 179.01 177.98 3k6e n ILE 79 N -4.44 0.62 0.00 -1.06 5.41 -1.09 -2.97 119.36 115.83 3k6e n ILE 79 Ca 0.10 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3k6e n ILE 79 Cb 0.47 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 3k6e n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k6e n ALA 81 N 1.04 0.00 0.03 -1.39 0.00 -0.70 -1.74 120.51 117.74 3k6e n ALA 81 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3k6e n ALA 81 Cb 0.24 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.81 3k6e n ALA 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3k6e n ASP 82 N 0.00 2.61 -4.86 0.00 2.03 -1.16 -4.68 116.55 110.49 3k6e n ASP 82 Ca 0.00 -1.83 -0.37 0.00 0.52 0.00 0.00 54.79 53.11 3k6e n ASP 82 Cb 0.00 -0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.18 3k6e n ASP 82 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3k6e s THR 83 N -0.98 5.41 0.05 5.18 2.01 -0.71 -5.00 115.64 121.59 3k6e s THR 83 Ca 0.20 0.33 -0.28 0.00 0.31 0.00 0.00 61.69 62.26 3k6e s THR 83 Cb 0.11 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3k6e s THR 83 CO 0.15 0.60 0.87 -1.81 -0.69 0.00 0.00 174.62 173.75 3k6e s ASP 84 N -0.94 7.33 0.35 3.53 1.11 -1.26 -1.20 116.67 125.58 3k6e s ASP 84 Ca 0.16 1.59 0.17 0.00 0.18 0.00 0.00 52.55 54.66 3k6e s ASP 84 Cb -0.13 -2.53 1.22 0.00 1.07 0.00 0.00 42.92 42.55 3k6e s ASP 84 CO 0.05 -0.08 1.53 -0.38 1.18 0.00 0.00 175.17 177.47 3k6e n ILE 85 N 3.11 -0.41 -0.23 0.77 5.41 -0.35 -1.64 119.36 126.01 3k6e n ILE 85 Ca 0.01 1.99 0.18 0.00 1.00 0.00 0.00 62.75 65.93 3k6e n ILE 85 Cb 0.50 -3.18 0.50 0.00 -0.71 0.00 0.00 39.64 36.76 3k6e n ILE 85 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 3k6e h VAL 86 N 0.00 0.70 0.00 1.39 3.04 -1.41 -2.00 116.25 117.97 3k6e h VAL 86 Ca 0.78 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 66.33 3k6e h VAL 86 Cb 2.02 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3k6e h VAL 86 CO -0.77 0.08 0.00 1.41 -1.01 0.00 0.00 177.57 177.28 3k6e n HIS 87 N -4.51 0.00 -1.16 3.17 8.25 -0.65 -4.83 115.22 115.48 3k6e n HIS 87 Ca 0.19 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3k6e n HIS 87 Cb 0.67 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.68 3k6e n HIS 87 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3k6e n THR 89 N 0.60 -3.40 -3.14 1.59 -1.04 -0.75 -5.14 114.28 103.00 3k6e n THR 89 Ca 0.00 1.50 -0.41 0.00 -2.04 0.00 0.00 64.05 63.10 3k6e n THR 89 Cb 0.13 -2.19 -0.07 0.00 -1.82 0.00 0.00 70.33 66.39 3k6e n THR 89 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3k6e s LYS 90 N -4.60 3.83 -0.04 -2.82 2.20 -0.27 -4.90 119.74 113.14 3k6e s LYS 90 Ca 0.00 0.18 0.09 0.00 -0.36 0.00 0.00 55.97 55.87 3k6e s LYS 90 Cb 0.00 -3.75 -0.13 0.00 -1.51 0.00 0.00 37.83 32.44 3k6e s LYS 90 CO 0.00 -0.60 0.13 0.25 -0.36 0.00 0.00 175.35 174.77 3k6e n THR 91 N 5.42 0.25 -2.33 3.43 -2.24 -1.26 -1.83 114.28 115.72 3k6e n THR 91 Ca -0.02 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.09 3k6e n THR 91 Cb 0.49 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 3k6e n THR 91 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3k6e n ASP 92 N -2.04 4.32 -3.90 3.42 2.03 -1.26 -4.87 116.55 114.25 3k6e n ASP 92 Ca -0.07 -2.85 -0.11 0.00 0.52 0.00 0.00 54.79 52.28 3k6e n ASP 92 Cb 0.47 -1.72 -0.12 0.00 -0.72 0.00 0.00 41.12 39.04 3k6e n ASP 92 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3k6e s VAL 93 N 5.75 0.06 -0.04 5.18 0.11 -1.26 -5.12 120.40 125.08 3k6e s VAL 93 Ca 0.57 -0.49 -0.22 0.00 -2.93 0.00 0.00 61.98 58.91 3k6e s VAL 93 Cb 0.04 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 3k6e s VAL 93 CO 0.08 -0.27 0.64 0.00 -3.33 0.00 0.00 175.10 172.22 3k6e s ALA 94 N -0.84 3.41 0.28 1.54 0.00 -1.26 -5.07 121.76 119.82 3k6e s ALA 94 Ca -0.09 0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.96 3k6e s ALA 94 Cb -0.06 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 3k6e s ALA 94 CO 0.00 0.03 0.06 0.14 0.00 0.00 0.00 175.76 175.99 3k6e s VAL 95 N 0.32 0.91 0.02 0.00 -7.23 -1.26 -4.26 120.40 108.90 3k6e s VAL 95 Ca 0.34 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 3k6e s VAL 95 Cb -0.18 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 3k6e s VAL 95 CO 0.17 -0.07 -0.14 0.68 -0.31 0.00 0.00 175.10 175.42 3k6e s VAL 96 N -3.50 1.14 0.90 1.32 -7.23 -0.37 -4.99 120.40 107.67 3k6e s VAL 96 Ca 0.35 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.55 3k6e s VAL 96 Cb 0.08 -1.00 0.14 0.00 0.56 0.00 0.00 36.38 36.15 3k6e s VAL 96 CO 0.13 0.13 1.15 -0.94 -0.31 0.00 0.00 175.10 175.26 3k6e s SER 97 N -0.85 2.98 0.00 4.85 1.04 -1.19 -1.10 113.70 119.42 3k6e s SER 97 Ca 0.03 2.20 0.07 0.00 0.48 0.00 0.00 55.95 58.73 3k6e s SER 97 Cb -0.07 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 63.90 3k6e s SER 97 CO 0.01 -3.06 0.82 -2.65 0.98 0.00 0.00 173.24 169.33 3k6e n PRO 98 N -4.16 0.31 -1.90 4.02 -0.02 -1.26 -2.37 135.00 129.61 3k6e n PRO 98 Ca 0.12 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 3k6e n PRO 98 Cb 0.52 -1.35 0.03 0.00 -0.02 0.00 0.00 33.50 32.68 3k6e n PRO 98 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k6e n ASP 99 N -0.85 5.64 -4.77 2.55 8.00 -1.26 -5.03 116.55 120.83 3k6e n ASP 99 Ca 0.05 -3.76 -0.40 0.00 0.71 0.00 0.00 54.79 51.39 3k6e n ASP 99 Cb 0.02 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.61 3k6e n ASP 99 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3k6e s PHE 100 N -3.66 2.60 0.43 1.24 -0.71 -1.00 -5.06 117.98 111.82 3k6e s PHE 100 Ca 0.54 1.28 -0.03 0.00 -1.04 0.00 0.00 56.93 57.68 3k6e s PHE 100 Cb 0.43 -3.88 -0.04 0.00 -1.21 0.00 0.00 43.02 38.33 3k6e s PHE 100 CO -0.01 -2.71 0.69 0.95 -1.34 0.00 0.00 175.22 172.81 3k6e s THR 101 N -1.19 4.99 0.08 -4.49 -4.23 -1.26 -4.98 115.64 104.56 3k6e s THR 101 Ca 0.57 -0.05 -0.31 0.00 -1.18 0.00 0.00 61.69 60.72 3k6e s THR 101 Cb -0.43 -3.86 -0.17 0.00 1.34 0.00 0.00 72.50 69.37 3k6e s THR 101 CO 0.56 -0.73 1.64 0.40 -0.54 0.00 0.00 174.62 175.95 3k6e h ILE 102 N 0.45 0.41 -1.04 2.99 1.08 -1.98 -1.26 117.51 118.16 3k6e h ILE 102 Ca -0.48 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.25 3k6e h ILE 102 Cb 1.21 0.41 -0.11 0.00 -3.07 0.00 0.00 36.82 35.27 3k6e h ILE 102 CO 0.62 0.00 0.65 0.71 -0.69 0.00 0.00 178.15 179.43 3k6e h THR 103 N -0.76 0.52 -0.04 -0.27 1.35 -1.99 0.54 112.91 112.25 3k6e h THR 103 Ca -0.07 -0.15 -0.06 0.00 -0.55 0.00 0.00 66.41 65.58 3k6e h THR 103 Cb 0.60 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 3k6e h THR 103 CO 0.10 0.08 -0.21 -0.08 -0.25 0.00 0.00 175.52 175.16 3k6e h GLU 104 N 0.45 0.22 -0.01 4.72 4.81 -1.92 -2.01 114.58 120.83 3k6e h GLU 104 Ca 0.62 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.69 3k6e h GLU 104 Cb 1.44 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.80 3k6e h GLU 104 CO -0.36 0.83 -0.54 0.28 -0.73 0.00 0.00 179.01 178.49 3k6e h VAL 105 N -0.35 0.00 -0.61 0.32 2.07 0.26 -1.38 116.25 116.56 3k6e h VAL 105 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3k6e h VAL 105 Cb 0.87 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3k6e h VAL 105 CO 0.04 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.97 3k6e h LEU 106 N -0.67 0.39 -0.81 2.57 4.07 -1.20 -0.59 115.31 119.07 3k6e h LEU 106 Ca 0.01 0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 3k6e h LEU 106 Cb 0.72 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 3k6e h LEU 106 CO -0.37 0.23 -0.16 -0.74 -1.08 0.00 0.00 178.44 176.33 3k6e h HIS 107 N 0.43 0.80 -0.24 1.13 2.76 -0.83 -3.03 115.15 116.17 3k6e h HIS 107 Ca 0.28 -0.16 -0.20 0.00 -2.20 0.00 0.00 60.37 58.10 3k6e h HIS 107 Cb 0.53 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.29 3k6e h HIS 107 CO -0.00 0.83 -0.63 0.87 -1.30 0.00 0.00 177.93 177.70 3k6e h LYS 108 N 0.65 0.83 -0.23 5.26 1.79 -0.07 -3.05 116.57 121.76 3k6e h LYS 108 Ca 0.10 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3k6e h LYS 108 Cb 0.63 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3k6e h LYS 108 CO 0.04 1.20 0.00 1.28 -1.08 0.00 0.00 179.45 180.90 3k6e n LEU 109 N -3.98 0.23 -0.01 2.94 4.77 -0.42 -2.11 117.00 118.43 3k6e n LEU 109 Ca -0.05 -0.11 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 3k6e n LEU 109 Cb 0.67 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 41.49 3k6e n LEU 109 CO 0.51 0.06 -0.54 0.55 -1.33 0.00 0.00 177.39 176.64 3k6e n VAL 110 N -0.33 0.00 -0.11 4.08 3.14 -1.15 -4.53 118.33 119.43 3k6e n VAL 110 Ca 0.00 -0.35 -0.24 0.00 -2.96 0.00 0.00 64.34 60.79 3k6e n VAL 110 Cb 0.06 0.31 -0.11 0.00 -1.06 0.00 0.00 33.84 33.03 3k6e n VAL 110 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3k6e n ASP 111 N -2.02 1.96 -0.85 6.55 8.00 -0.90 -5.01 116.55 124.27 3k6e n ASP 111 Ca -0.02 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.75 3k6e n ASP 111 Cb 0.49 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3k6e n ASP 111 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3k6e n GLU 112 N -4.02 3.03 0.00 -1.24 0.28 -0.93 -5.10 120.64 112.65 3k6e n GLU 112 Ca -0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 3k6e n GLU 112 Cb 0.87 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.74 3k6e n GLU 112 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3k6e n SER 113 N -0.53 0.01 -4.44 -1.84 3.41 -1.26 -4.36 113.62 104.60 3k6e n SER 113 Ca 0.00 -0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 3k6e n SER 113 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 3k6e n SER 113 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3k6e s PHE 114 N -0.01 3.03 -0.33 7.33 0.40 -1.26 -2.62 117.98 124.51 3k6e s PHE 114 Ca 0.00 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 3k6e s PHE 114 Cb 0.00 -2.06 0.09 0.00 0.51 0.00 0.00 43.02 41.56 3k6e s PHE 114 CO 0.00 -0.23 0.04 -1.17 0.70 0.00 0.00 175.22 174.57 3k6e s LEU 115 N 0.92 4.56 0.51 -0.37 2.96 0.57 -4.89 118.68 122.93 3k6e s LEU 115 Ca 0.01 -1.94 -0.20 0.00 -0.22 0.00 0.00 54.13 51.78 3k6e s LEU 115 Cb -0.14 -1.66 -0.07 0.00 0.50 0.00 0.00 46.19 44.81 3k6e s LEU 115 CO 0.02 -0.37 1.07 -2.84 -1.32 0.00 0.00 176.35 172.91 3k6e s PRO 116 N 1.00 3.64 -0.17 0.98 0.02 -1.26 -0.26 135.00 138.95 3k6e s PRO 116 Ca 0.06 1.43 -0.01 0.00 0.02 0.00 0.00 61.00 62.50 3k6e s PRO 116 Cb -0.20 -2.06 -0.00 0.00 0.02 0.00 0.00 34.50 32.26 3k6e s PRO 116 CO -0.06 -0.57 -0.13 0.08 -0.33 0.00 0.00 177.00 175.98 3k6e s VAL 117 N -1.93 2.78 -0.05 3.83 1.01 0.49 -1.24 120.40 125.29 3k6e s VAL 117 Ca 0.69 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 3k6e s VAL 117 Cb -0.19 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3k6e s VAL 117 CO 0.23 0.50 0.10 -0.69 0.00 0.00 0.00 175.10 175.24 3k6e s VAL 118 N 1.02 -0.04 0.81 2.92 1.01 -0.26 -0.93 120.40 124.93 3k6e s VAL 118 Ca -0.01 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3k6e s VAL 118 Cb -0.15 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.14 3k6e s VAL 118 CO -0.03 0.07 1.09 1.51 0.00 0.00 0.00 175.10 177.74 3k6e s ASP 119 N 0.96 4.24 0.00 3.32 -4.77 -1.24 -3.19 116.67 115.99 3k6e s ASP 119 Ca -0.08 1.53 0.00 0.00 -3.30 0.00 0.00 52.55 50.70 3k6e s ASP 119 Cb -0.10 -2.26 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 3k6e s ASP 119 CO -0.04 -2.16 0.76 0.00 0.70 0.00 0.00 175.17 174.43 3k6e n ALA 120 N -3.58 1.02 -0.04 2.11 0.00 -1.26 -1.45 120.51 117.31 3k6e n ALA 120 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 3k6e n ALA 120 Cb 0.55 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 3k6e n ALA 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k6e h GLU 121 N 0.00 -0.00 0.00 0.00 4.81 -2.05 -3.48 114.58 113.85 3k6e h GLU 121 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3k6e h GLU 121 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3k6e h GLU 121 CO 0.00 0.77 0.00 0.41 -0.73 0.00 0.00 179.01 179.46 3k6e n GLY 122 N 1.00 0.83 3.67 1.92 0.00 -0.53 -5.10 105.19 106.99 3k6e n GLY 122 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3k6e n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k6e s ILE 123 N -1.51 5.30 0.06 -0.61 1.09 -1.26 -1.08 121.20 123.18 3k6e s ILE 123 Ca 0.00 0.41 -0.31 0.00 -1.10 0.00 0.00 60.65 59.66 3k6e s ILE 123 Cb 0.00 -3.60 -0.07 0.00 -1.06 0.00 0.00 42.46 37.73 3k6e s ILE 123 CO 0.00 0.32 1.44 0.12 -0.10 0.00 0.00 174.94 176.71 3k6e s PHE 124 N 1.08 2.95 0.00 3.97 5.36 -1.21 -3.60 117.98 126.52 3k6e s PHE 124 Ca 0.13 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 3k6e s PHE 124 Cb -0.14 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3k6e s PHE 124 CO 0.05 -2.65 0.00 1.04 -1.46 0.00 0.00 175.22 172.20 3k6e n GLN 125 N 4.82 2.90 0.00 10.12 6.02 -0.11 -4.83 117.38 136.31 3k6e n GLN 125 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3k6e n GLN 125 Cb 0.43 -0.67 0.00 0.00 1.02 0.00 0.00 30.24 31.02 3k6e n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k6e n GLY 126 N 1.35 -0.21 3.24 1.08 0.00 -1.18 0.59 105.19 110.06 3k6e n GLY 126 Ca 0.00 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 3k6e n GLY 126 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k6e s ILE 127 N -2.00 1.41 -0.05 -0.61 -5.25 -0.49 0.18 121.20 114.40 3k6e s ILE 127 Ca 0.00 -1.56 0.06 0.00 -0.99 0.00 0.00 60.65 58.16 3k6e s ILE 127 Cb 0.00 -1.42 -0.01 0.00 2.95 0.00 0.00 42.46 43.98 3k6e s ILE 127 CO 0.00 -0.25 -0.22 -0.63 -1.79 0.00 0.00 174.94 172.05 3k6e s ILE 128 N -1.59 1.82 0.17 8.37 1.01 0.64 -1.82 121.20 129.79 3k6e s ILE 128 Ca 0.05 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.84 3k6e s ILE 128 Cb -0.08 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3k6e s ILE 128 CO 0.03 0.51 -0.16 0.42 0.00 0.00 0.00 174.94 175.74 3k6e s THR 129 N -0.13 1.72 0.29 2.92 -4.23 -1.26 -0.31 115.64 114.65 3k6e s THR 129 Ca -0.03 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 3k6e s THR 129 Cb -0.13 -1.86 0.29 0.00 1.34 0.00 0.00 72.50 72.14 3k6e s THR 129 CO 0.03 -0.42 1.81 0.03 -0.54 0.00 0.00 174.62 175.53 3k6e h ARG 130 N 3.07 0.88 -0.58 3.99 3.08 -1.86 0.42 114.38 123.39 3k6e h ARG 130 Ca -0.41 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3k6e h ARG 130 Cb 1.21 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 3k6e h ARG 130 CO 0.54 0.58 0.32 -0.22 -1.07 0.00 0.00 179.97 180.13 3k6e h LYS 131 N 0.91 0.80 0.00 0.04 3.64 -1.95 -1.11 116.57 118.89 3k6e h LYS 131 Ca 0.53 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.70 3k6e h LYS 131 Cb 0.65 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3k6e h LYS 131 CO -0.31 0.61 -0.57 0.66 -2.27 0.00 0.00 179.45 177.56 3k6e h SER 132 N 0.78 0.00 0.37 4.20 4.64 -1.33 -2.22 113.55 119.99 3k6e h SER 132 Ca 0.20 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 3k6e h SER 132 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3k6e h SER 132 CO -0.03 0.57 -0.88 0.40 -0.87 0.00 0.00 176.83 176.02 3k6e h ILE 133 N 0.00 1.42 -0.11 0.95 2.04 -0.75 -2.61 117.51 118.45 3k6e h ILE 133 Ca -0.01 -2.42 0.02 0.00 1.00 0.00 0.00 64.86 63.46 3k6e h ILE 133 Cb 1.08 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 3k6e h ILE 133 CO 0.07 0.72 -0.04 -0.07 0.00 0.00 0.00 178.15 178.83 3k6e h LEU 134 N 0.21 -0.15 -0.85 1.44 3.38 -0.83 -0.43 115.31 118.09 3k6e h LEU 134 Ca -0.06 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.13 3k6e h LEU 134 Cb 1.50 0.09 -0.16 0.00 0.09 0.00 0.00 40.66 42.18 3k6e h LEU 134 CO 0.15 -0.06 -0.14 0.11 0.09 0.00 0.00 178.44 178.59 3k6e h LYS 135 N -0.03 0.02 -0.56 1.13 1.57 -1.41 0.25 116.57 117.55 3k6e h LYS 135 Ca 0.06 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3k6e h LYS 135 Cb 0.11 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3k6e h LYS 135 CO -0.13 0.01 0.29 0.00 -0.57 0.00 0.00 179.45 179.05 3k6e h ALA 136 N 1.84 0.72 0.00 3.86 0.00 -0.72 -1.90 119.26 123.06 3k6e h ALA 136 Ca 0.44 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3k6e h ALA 136 Cb 0.72 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3k6e h ALA 136 CO -0.84 0.25 -0.55 -0.39 0.00 0.00 0.00 179.25 177.72 3k6e h VAL 137 N 0.75 1.17 0.00 0.00 -1.51 -0.36 -2.67 116.25 113.63 3k6e h VAL 137 Ca 0.19 -2.06 0.00 0.00 -1.23 0.00 0.00 66.70 63.60 3k6e h VAL 137 Cb 0.08 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3k6e h VAL 137 CO -0.03 0.54 0.17 0.78 -1.23 0.00 0.00 177.57 177.80 3k6e h ASN 138 N 0.00 0.00 -0.04 4.19 2.35 0.30 0.35 115.58 122.73 3k6e h ASN 138 Ca -0.01 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3k6e h ASN 138 Cb 1.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 3k6e h ASN 138 CO 0.07 0.00 0.04 0.00 -1.65 0.00 0.00 177.43 175.89 3k6e h ALA 139 N 1.62 1.66 -0.00 -0.83 0.00 -1.36 -1.53 119.26 118.82 3k6e h ALA 139 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k6e h ALA 139 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k6e h ALA 139 CO 0.00 -0.06 -0.21 1.28 0.00 0.00 0.00 179.25 180.26 3k6e n LEU 140 N -3.96 0.54 -0.06 0.00 4.77 0.12 -4.35 117.00 114.06 3k6e n LEU 140 Ca -0.02 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 3k6e n LEU 140 Cb 0.13 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 3k6e n LEU 140 CO 0.29 0.11 0.71 0.25 -1.33 0.00 0.00 177.39 177.41 3k6e h LEU 141 N 0.52 0.35 -1.75 2.23 5.85 -1.36 -2.90 115.31 118.24 3k6e h LEU 141 Ca 0.00 -0.36 0.24 0.00 0.84 0.00 0.00 57.88 58.60 3k6e h LEU 141 Cb 0.44 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3k6e h LEU 141 CO 0.00 0.63 0.64 1.12 -0.34 0.00 0.00 178.44 180.49 3k6e h HIS 142 N 0.06 0.27 -0.26 1.25 2.07 -1.76 0.25 115.15 117.03 3k6e h HIS 142 Ca 0.05 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.51 3k6e h HIS 142 Cb 0.48 -0.08 -0.04 0.00 2.57 0.00 0.00 27.41 30.34 3k6e h HIS 142 CO 0.05 0.06 0.08 -0.25 -3.07 0.00 0.00 177.93 174.79 3k6e n ASP 143 N -4.39 2.92 -4.98 3.10 8.00 -1.09 -4.90 116.55 115.21 3k6e n ASP 143 Ca 0.20 -2.42 -0.19 0.00 0.71 0.00 0.00 54.79 53.08 3k6e n ASP 143 Cb 0.87 -0.59 0.03 0.00 -0.02 0.00 0.00 41.12 41.41 3k6e n ASP 143 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3k6e s PHE 144 N -1.51 2.67 -0.05 1.24 0.40 0.88 -5.12 117.98 116.50 3k6e s PHE 144 Ca 0.20 -0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.24 3k6e s PHE 144 Cb 0.16 -2.56 0.01 0.00 0.51 0.00 0.00 43.02 41.14 3k6e s PHE 144 CO 0.05 -0.73 0.13 -1.54 0.70 0.00 0.00 175.22 173.83 3k6e s SER 145 N -4.42 -0.13 0.30 1.36 1.04 -1.26 -5.10 113.70 105.48 3k6e s SER 145 Ca 0.57 0.26 -0.17 0.00 0.48 0.00 0.00 55.95 57.09 3k6e s SER 145 Cb -0.10 0.26 -0.12 0.00 0.10 0.00 0.00 66.02 66.16 3k6e s SER 145 CO 0.36 -0.05 0.10 0.29 0.98 0.00 0.00 173.24 174.92 3k6e n LYS 146 N 3.09 0.00 -0.21 4.02 4.76 -1.26 -4.80 118.16 123.77 3k6e n LYS 146 Ca -0.13 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.28 3k6e n LYS 146 Cb 0.59 -0.79 0.08 0.00 -1.84 0.00 0.00 35.03 33.07 3k6e n LYS 146 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3k6e h GLU 147 N 0.30 0.58 0.00 1.97 4.57 -2.01 -1.18 114.58 118.81 3k6e h GLU 147 Ca -0.28 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3k6e h GLU 147 Cb 1.14 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3k6e h GLU 147 CO 0.38 0.38 0.00 2.48 -1.18 0.00 0.00 179.01 181.07 3k6e n TYR 148 N -4.84 0.00 0.77 0.92 0.18 -1.26 -1.24 117.16 111.69 3k6e n TYR 148 Ca 0.07 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.96 3k6e n TYR 148 Cb 0.17 0.00 0.28 0.00 -0.38 0.00 0.00 39.34 39.41 3k6e n TYR 148 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3k6e n GLU 149 N -0.60 2.15 -4.00 -3.48 1.02 -0.45 -4.94 120.64 110.35 3k6e n GLU 149 Ca 0.03 -1.73 -0.14 0.00 -0.02 0.00 0.00 57.16 55.31 3k6e n GLU 149 Cb 0.02 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 3k6e n GLU 149 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3k6e s ILE 150 N -1.66 0.19 0.00 -3.67 1.09 -0.37 -5.04 121.20 111.74 3k6e s ILE 150 Ca 0.35 -0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.77 3k6e s ILE 150 Cb 0.20 -0.17 0.00 0.00 -1.06 0.00 0.00 42.46 41.43 3k6e s ILE 150 CO 0.29 0.03 0.00 0.54 -0.10 0.00 0.00 174.94 175.70