#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6i s ILE 2 N 0.00 2.22 -0.35 -1.33 1.01 -1.26 -0.60 121.20 120.89 3k6i s ILE 2 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 3k6i s ILE 2 Cb 0.00 -1.81 0.04 0.00 0.01 0.00 0.00 42.46 40.71 3k6i s ILE 2 CO 0.00 0.57 0.13 -0.22 0.00 0.00 0.00 174.94 175.42 3k6i s LEU 3 N -0.34 4.44 -0.21 2.97 2.96 0.59 -5.00 118.68 124.10 3k6i s LEU 3 Ca 0.02 -1.19 -0.07 0.00 -0.22 0.00 0.00 54.13 52.66 3k6i s LEU 3 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3k6i s LEU 3 CO 0.02 -0.35 0.07 0.00 -1.32 0.00 0.00 176.35 174.76 3k6i s ALA 4 N 1.40 3.32 -0.14 5.97 0.00 -1.26 -1.77 121.76 129.28 3k6i s ALA 4 Ca -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 3k6i s ALA 4 Cb -0.20 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3k6i s ALA 4 CO 0.03 -0.05 -0.04 0.99 0.00 0.00 0.00 175.76 176.69 3k6i s THR 5 N 0.81 3.92 0.46 0.00 2.01 -1.26 -4.98 115.64 116.59 3k6i s THR 5 Ca 0.04 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 3k6i s THR 5 Cb -0.14 -2.70 -0.09 0.00 0.01 0.00 0.00 72.50 69.59 3k6i s THR 5 CO 0.02 0.51 1.04 -2.65 -0.69 0.00 0.00 174.62 172.85 3k6i n PRO 6 N 3.26 1.34 -4.98 4.92 -0.02 -1.26 -4.77 135.00 133.48 3k6i n PRO 6 Ca -0.18 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.47 3k6i n PRO 6 Cb 0.53 -2.12 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 3k6i n PRO 6 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k6i s ILE 7 N -1.32 2.76 -0.12 4.25 1.01 0.05 -5.02 121.20 122.81 3k6i s ILE 7 Ca 0.66 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.49 3k6i s ILE 7 Cb -0.52 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3k6i s ILE 7 CO 0.55 0.57 -0.13 -0.76 0.00 0.00 0.00 174.94 175.17 3k6i s LEU 8 N -0.38 2.74 -0.12 2.97 1.43 -1.26 -0.60 118.68 123.46 3k6i s LEU 8 Ca 0.04 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3k6i s LEU 8 Cb -0.12 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3k6i s LEU 8 CO 0.02 0.18 -0.12 -0.63 0.23 0.00 0.00 176.35 176.04 3k6i s ILE 9 N 0.25 1.31 0.35 -0.59 1.01 -0.08 -4.96 121.20 118.48 3k6i s ILE 9 Ca -0.09 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 3k6i s ILE 9 Cb -0.15 -1.25 -0.11 0.00 0.01 0.00 0.00 42.46 40.95 3k6i s ILE 9 CO 0.05 0.41 1.48 -2.65 0.00 0.00 0.00 174.94 174.23 3k6i n PRO 10 N 4.65 2.57 -1.74 2.79 -0.02 -1.26 -1.12 135.00 140.87 3k6i n PRO 10 Ca -0.16 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 3k6i n PRO 10 Cb 0.50 -2.62 0.01 0.00 -0.02 0.00 0.00 33.50 31.37 3k6i n PRO 10 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3k6i n GLU 11 N 0.94 2.24 -3.37 -0.52 2.13 0.51 -3.90 120.64 118.66 3k6i n GLU 11 Ca 0.04 0.79 -0.18 0.00 0.66 0.00 0.00 57.16 58.47 3k6i n GLU 11 Cb 0.38 -2.54 0.07 0.00 0.27 0.00 0.00 31.44 29.62 3k6i n GLU 11 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3k6i n ASN 12 N 0.16 -4.30 -4.70 4.31 5.15 0.28 -4.91 115.26 111.24 3k6i n ASN 12 Ca 0.05 -0.50 -0.41 0.00 -0.60 0.00 0.00 54.58 53.12 3k6i n ASN 12 Cb 0.40 -4.48 0.02 0.00 -0.53 0.00 0.00 39.78 35.18 3k6i n ASN 12 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k6i n GLN 13 N -4.15 1.91 -1.74 1.20 6.02 -1.25 -4.94 117.38 114.43 3k6i n GLN 13 Ca -0.10 0.68 -0.32 0.00 -0.01 0.00 0.00 57.00 57.25 3k6i n GLN 13 Cb 0.59 -2.40 0.04 0.00 1.02 0.00 0.00 30.24 29.49 3k6i n GLN 13 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k6i s ARG 14 N -2.28 2.95 0.44 -1.09 0.52 -1.26 -4.48 118.95 113.75 3k6i s ARG 14 Ca 0.62 1.16 0.01 0.00 -0.52 0.00 0.00 55.73 56.99 3k6i s ARG 14 Cb -0.50 -1.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 3k6i s ARG 14 CO 0.57 -1.10 0.65 -1.25 0.02 0.00 0.00 175.30 174.20 3k6i s PRO 15 N -4.49 3.09 0.15 3.54 0.04 -1.26 -4.84 135.00 131.22 3k6i s PRO 15 Ca 0.62 -0.51 0.03 0.00 0.04 0.00 0.00 61.00 61.18 3k6i s PRO 15 Cb -0.16 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3k6i s PRO 15 CO 0.46 -0.23 0.24 -1.25 0.04 0.00 0.00 177.00 176.26 3k6i s PRO 16 N -4.52 3.30 0.29 0.56 0.05 -1.26 -5.21 135.00 128.21 3k6i s PRO 16 Ca 0.48 -0.66 0.12 0.00 0.05 0.00 0.00 61.00 60.99 3k6i s PRO 16 Cb -0.10 -2.89 -0.05 0.00 0.05 0.00 0.00 34.50 31.51 3k6i s PRO 16 CO 0.37 0.52 -0.19 -0.06 0.05 0.00 0.00 177.00 177.70 3k6i s PHE 17 N -1.72 2.30 0.71 0.56 0.40 -1.26 -4.51 117.98 114.46 3k6i s PHE 17 Ca 0.34 -0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 56.19 3k6i s PHE 17 Cb -0.11 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.41 3k6i s PHE 17 CO 0.27 0.70 1.10 -1.25 0.70 0.00 0.00 175.22 176.74 3k6i s PRO 18 N -3.52 2.56 -0.07 0.24 0.04 -1.26 -5.07 135.00 127.92 3k6i s PRO 18 Ca 0.30 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.64 3k6i s PRO 18 Cb -0.04 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 3k6i s PRO 18 CO 0.15 -1.42 -0.20 1.03 0.04 0.00 0.00 177.00 176.60 3k6i s ARG 19 N -4.54 2.35 0.26 4.56 0.52 -0.38 -4.95 118.95 116.76 3k6i s ARG 19 Ca 0.63 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 3k6i s ARG 19 Cb -0.18 -1.91 -0.10 0.00 0.52 0.00 0.00 34.95 33.28 3k6i s ARG 19 CO 0.49 0.22 1.31 -1.12 0.02 0.00 0.00 175.30 176.23 3k6i s SER 20 N 0.18 6.85 0.00 0.23 0.01 -1.26 -0.98 113.70 118.73 3k6i s SER 20 Ca -0.10 2.52 0.00 0.00 1.31 0.00 0.00 55.95 59.68 3k6i s SER 20 Cb -0.15 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.46 3k6i s SER 20 CO 0.05 -0.52 0.00 1.33 0.41 0.00 0.00 173.24 174.51 3k6i n VAL 21 N 1.88 0.00 -2.03 3.43 0.24 0.60 -4.92 118.33 117.53 3k6i n VAL 21 Ca 0.04 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3k6i n VAL 21 Cb 0.42 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 3k6i n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k6i n GLY 22 N 1.09 -1.23 3.39 7.63 0.00 -1.15 -4.77 105.19 110.15 3k6i n GLY 22 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 3k6i n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k6i s LYS 23 N -0.74 0.49 0.02 1.61 2.20 -1.26 -0.61 119.74 121.45 3k6i s LYS 23 Ca 0.00 0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 56.44 3k6i s LYS 23 Cb 0.00 0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 3k6i s LYS 23 CO 0.00 -0.16 0.34 0.08 -0.36 0.00 0.00 175.35 175.25 3k6i s VAL 24 N 1.47 5.18 -0.07 4.02 1.01 -0.33 -4.61 120.40 127.06 3k6i s VAL 24 Ca -0.10 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.33 3k6i s VAL 24 Cb -0.07 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3k6i s VAL 24 CO -0.15 0.40 -0.17 -0.63 0.00 0.00 0.00 175.10 174.55 3k6i s ILE 25 N -1.27 1.48 -0.21 2.22 1.01 -0.73 -4.42 121.20 119.27 3k6i s ILE 25 Ca 0.28 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 3k6i s ILE 25 Cb -0.14 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 3k6i s ILE 25 CO 0.15 0.43 0.13 -0.60 0.00 0.00 0.00 174.94 175.06 3k6i s ARG 26 N 0.49 4.14 0.44 2.79 3.52 -1.26 -0.30 118.95 128.76 3k6i s ARG 26 Ca -0.15 -0.24 0.09 0.00 -0.13 0.00 0.00 55.73 55.30 3k6i s ARG 26 Cb -0.16 -3.44 0.96 0.00 -1.56 0.00 0.00 34.95 30.74 3k6i s ARG 26 CO 0.05 0.22 2.08 0.66 -0.81 0.00 0.00 175.30 177.50 3k6i h SER 27 N 6.94 0.35 0.31 -2.12 4.64 -1.24 -0.84 113.55 121.59 3k6i h SER 27 Ca -0.40 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3k6i h SER 27 Cb 1.16 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3k6i h SER 27 CO 0.72 0.26 -0.09 -0.62 -0.87 0.00 0.00 176.83 176.23 3k6i n GLU 28 N -4.48 0.76 0.00 4.77 4.71 -1.26 -4.99 120.64 120.15 3k6i n GLU 28 Ca 0.01 -0.26 0.00 0.00 -0.01 0.00 0.00 57.16 56.91 3k6i n GLU 28 Cb 0.07 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 3k6i n GLU 28 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3k6i n GLY 29 N 1.25 -1.95 2.71 0.62 0.00 -0.32 -4.68 105.19 102.82 3k6i n GLY 29 Ca 0.15 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 3k6i n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k6i s THR 30 N 0.00 0.63 -0.11 2.61 -1.32 -1.26 -4.76 115.64 111.42 3k6i s THR 30 Ca 0.00 -0.99 -0.01 0.00 -1.21 0.00 0.00 61.69 59.47 3k6i s THR 30 Cb 0.00 -1.34 -0.03 0.00 -1.51 0.00 0.00 72.50 69.62 3k6i s THR 30 CO 0.00 -0.49 -0.06 -0.70 -2.21 0.00 0.00 174.62 171.16 3k6i s GLU 31 N 1.77 3.22 -1.77 7.08 2.12 -1.26 -4.77 118.70 125.08 3k6i s GLU 31 Ca 0.05 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.84 3k6i s GLU 31 Cb -0.17 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.47 3k6i s GLU 31 CO -0.20 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 3k6i n GLY 32 N 2.90 -0.01 3.22 -1.50 0.00 -1.26 -4.97 105.19 103.57 3k6i n GLY 32 Ca -0.18 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 3k6i n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6i s ALA 33 N -2.94 -0.27 -0.05 4.61 0.00 -1.26 -3.20 121.76 118.65 3k6i s ALA 33 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3k6i s ALA 33 Cb 0.00 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.66 3k6i s ALA 33 CO 0.00 -0.52 -0.04 0.15 0.00 0.00 0.00 175.76 175.35 3k6i s LYS 34 N -3.86 0.83 0.49 0.00 1.02 0.23 -4.74 119.74 113.71 3k6i s LYS 34 Ca 0.05 -0.09 -0.22 0.00 0.02 0.00 0.00 55.97 55.74 3k6i s LYS 34 Cb 0.05 -0.88 -0.07 0.00 -0.52 0.00 0.00 37.83 36.41 3k6i s LYS 34 CO -0.11 -0.11 1.19 -0.06 -0.92 0.00 0.00 175.35 175.34 3k6i s PHE 35 N 1.06 2.75 -0.02 3.18 0.40 -0.01 -0.65 117.98 124.69 3k6i s PHE 35 Ca -0.09 1.52 -0.00 0.00 -0.60 0.00 0.00 56.93 57.76 3k6i s PHE 35 Cb -0.14 -3.42 0.02 0.00 0.51 0.00 0.00 43.02 39.99 3k6i s PHE 35 CO -0.01 -1.73 0.03 0.50 0.70 0.00 0.00 175.22 174.71 3k6i s ARG 36 N -2.84 -0.02 0.05 0.44 3.52 0.12 -4.45 118.95 115.76 3k6i s ARG 36 Ca 0.67 0.14 0.08 0.00 -0.13 0.00 0.00 55.73 56.48 3k6i s ARG 36 Cb -0.29 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 3k6i s ARG 36 CO 0.35 -0.11 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.36 3k6i s LEU 37 N 0.71 2.52 0.16 -0.88 2.96 -1.26 -1.37 118.68 121.51 3k6i s LEU 37 Ca -0.06 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 3k6i s LEU 37 Cb -0.08 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.15 3k6i s LEU 37 CO -0.02 0.25 0.37 -0.94 -1.32 0.00 0.00 176.35 174.70 3k6i s SER 38 N -1.44 -0.10 0.00 3.68 1.04 -0.20 -4.80 113.70 111.89 3k6i s SER 38 Ca 0.14 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3k6i s SER 38 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3k6i s SER 38 CO 0.05 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.95 3k6i n GLY 39 N -0.24 0.99 3.67 7.32 0.00 -1.26 -0.90 105.19 114.77 3k6i n GLY 39 Ca -0.10 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 3k6i n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k6i s LYS 40 N -1.01 4.19 0.00 1.61 -0.14 -1.26 -0.86 119.74 122.27 3k6i s LYS 40 Ca 0.00 2.25 0.00 0.00 -1.36 0.00 0.00 55.97 56.86 3k6i s LYS 40 Cb 0.00 -3.82 0.00 0.00 -1.68 0.00 0.00 37.83 32.33 3k6i s LYS 40 CO 0.00 -0.79 0.00 0.41 -0.76 0.00 0.00 175.35 174.21 3k6i n GLY 41 N 4.07 1.41 0.00 -3.33 0.00 -0.34 -4.66 105.19 102.34 3k6i n GLY 41 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3k6i n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k6i n VAL 42 N -1.06 0.00 0.43 1.61 0.31 -0.04 -0.81 118.33 118.77 3k6i n VAL 42 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 3k6i n VAL 42 Cb 0.00 -0.24 0.10 0.00 -0.91 0.00 0.00 33.84 32.79 3k6i n VAL 42 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3k6i n ASP 43 N -0.69 2.51 -4.28 4.52 5.75 -0.80 -0.89 116.55 122.67 3k6i n ASP 43 Ca 0.00 -1.72 -0.23 0.00 -0.01 0.00 0.00 54.79 52.83 3k6i n ASP 43 Cb 0.00 -0.07 -0.12 0.00 -1.03 0.00 0.00 41.12 39.89 3k6i n ASP 43 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3k6i s GLN 44 N -1.22 1.10 0.24 0.11 -0.21 -0.88 -4.94 119.66 113.87 3k6i s GLN 44 Ca 0.21 -1.18 -0.31 0.00 0.02 0.00 0.00 55.36 54.10 3k6i s GLN 44 Cb 0.14 -1.29 -0.13 0.00 1.00 0.00 0.00 33.01 32.72 3k6i s GLN 44 CO 0.20 0.29 1.49 -0.25 -2.12 0.00 0.00 175.29 174.90 3k6i n ASP 45 N 0.97 3.12 -4.70 5.90 8.00 -1.26 -1.96 116.55 126.61 3k6i n ASP 45 Ca -0.19 1.13 -0.42 0.00 0.71 0.00 0.00 54.79 56.02 3k6i n ASP 45 Cb 0.54 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 3k6i n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3k6i s PRO 46 N -0.19 4.41 0.41 -0.24 0.04 -1.26 -4.27 135.00 133.90 3k6i s PRO 46 Ca 0.69 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 3k6i s PRO 46 Cb -0.61 -3.50 -0.09 0.00 0.04 0.00 0.00 34.50 30.33 3k6i s PRO 46 CO 0.47 -0.32 0.87 0.15 0.04 0.00 0.00 177.00 178.21 3k6i s LYS 47 N 1.79 4.06 -0.05 4.56 1.02 -1.19 -1.19 119.74 128.74 3k6i s LYS 47 Ca 0.54 0.88 0.00 0.00 0.02 0.00 0.00 55.97 57.41 3k6i s LYS 47 Cb -0.23 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3k6i s LYS 47 CO 0.23 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 3k6i n GLY 48 N -0.80 0.47 0.18 -3.33 0.00 -0.07 -4.85 105.19 96.80 3k6i n GLY 48 Ca 0.05 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 3k6i n GLY 48 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k6i h ILE 49 N 0.00 1.28 -4.05 -0.61 1.08 -1.17 -3.43 117.51 110.61 3k6i h ILE 49 Ca -0.01 -2.43 -0.68 0.00 -0.39 0.00 0.00 64.86 61.35 3k6i h ILE 49 Cb 0.08 2.66 -0.24 0.00 -3.07 0.00 0.00 36.82 36.25 3k6i h ILE 49 CO 0.01 0.74 -0.87 -0.36 -0.69 0.00 0.00 178.15 176.98 3k6i s PHE 50 N -3.02 2.28 0.09 1.37 0.40 -0.62 -1.09 117.98 117.39 3k6i s PHE 50 Ca -0.10 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 3k6i s PHE 50 Cb 0.06 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 3k6i s PHE 50 CO 0.93 0.25 -0.06 1.03 0.70 0.00 0.00 175.22 178.07 3k6i s ARG 51 N -1.74 0.81 -0.00 0.44 0.52 -0.50 -4.66 118.95 113.82 3k6i s ARG 51 Ca 0.13 -1.31 0.05 0.00 -0.52 0.00 0.00 55.73 54.08 3k6i s ARG 51 Cb -0.10 -0.19 -0.02 0.00 0.52 0.00 0.00 34.95 35.17 3k6i s ARG 51 CO 0.04 -0.02 -0.17 -1.50 0.02 0.00 0.00 175.30 173.67 3k6i s ILE 52 N -3.56 1.37 -0.01 1.52 2.07 -1.26 -1.12 121.20 120.21 3k6i s ILE 52 Ca 0.11 -0.81 -0.30 0.00 -1.41 0.00 0.00 60.65 58.24 3k6i s ILE 52 Cb 0.05 -1.15 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 3k6i s ILE 52 CO -0.05 0.33 1.12 0.21 -1.91 0.00 0.00 174.94 174.64 3k6i s ASN 53 N -0.56 7.17 0.37 4.50 2.47 -0.16 -4.94 114.94 123.80 3k6i s ASN 53 Ca 0.06 1.80 0.05 0.00 0.42 0.00 0.00 52.86 55.20 3k6i s ASN 53 Cb -0.07 -2.57 0.75 0.00 -1.45 0.00 0.00 41.25 37.91 3k6i s ASN 53 CO -0.00 -0.45 2.01 -0.33 -3.72 0.00 0.00 177.10 174.60 3k6i h GLU 54 N 7.04 0.70 0.00 0.43 5.08 -1.92 -1.47 114.58 124.44 3k6i h GLU 54 Ca -0.38 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 57.75 3k6i h GLU 54 Cb 1.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3k6i h GLU 54 CO 0.82 0.46 -1.02 0.82 -1.00 0.00 0.00 179.01 179.10 3k6i h ILE 55 N 0.72 1.06 0.00 3.13 2.04 -1.90 0.00 117.51 122.57 3k6i h ILE 55 Ca 0.24 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.91 3k6i h ILE 55 Cb 0.06 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3k6i h ILE 55 CO -0.06 0.36 -1.04 -1.54 0.00 0.00 0.00 178.15 175.86 3k6i n SER 56 N -4.47 0.62 0.00 1.72 3.41 -1.21 -4.71 113.62 108.99 3k6i n SER 56 Ca -0.28 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3k6i n SER 56 Cb 0.64 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 3k6i n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k6i n GLY 57 N 1.31 0.50 3.70 5.00 0.00 -0.56 -4.77 105.19 110.38 3k6i n GLY 57 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3k6i n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k6i s ASP 58 N -2.22 6.72 -0.19 1.61 2.15 -1.26 -1.19 116.67 122.29 3k6i s ASP 58 Ca 0.00 2.39 -0.09 0.00 0.43 0.00 0.00 52.55 55.28 3k6i s ASP 58 Cb 0.00 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 3k6i s ASP 58 CO 0.00 -0.77 0.12 -0.69 -0.17 0.00 0.00 175.17 173.66 3k6i s VAL 59 N 1.80 5.28 0.18 1.11 1.01 0.22 -0.99 120.40 129.00 3k6i s VAL 59 Ca 0.68 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.88 3k6i s VAL 59 Cb -0.38 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3k6i s VAL 59 CO 0.30 0.46 -0.17 -0.94 0.00 0.00 0.00 175.10 174.75 3k6i s SER 60 N 0.28 2.62 0.07 3.32 1.04 -0.28 -0.29 113.70 120.45 3k6i s SER 60 Ca 0.07 -0.92 0.08 0.00 0.48 0.00 0.00 55.95 55.67 3k6i s SER 60 Cb -0.11 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 3k6i s SER 60 CO -0.01 -0.09 -0.19 0.54 0.98 0.00 0.00 173.24 174.47 3k6i s VAL 61 N -2.39 2.75 -1.27 5.02 0.11 -0.15 -1.41 120.40 123.07 3k6i s VAL 61 Ca 0.18 -1.33 0.11 0.00 -2.93 0.00 0.00 61.98 58.01 3k6i s VAL 61 Cb -0.04 -2.19 0.05 0.00 -1.53 0.00 0.00 36.38 32.67 3k6i s VAL 61 CO 0.07 0.24 0.78 0.35 -3.33 0.00 0.00 175.10 173.21 3k6i n THR 62 N 1.27 0.00 -3.77 5.04 -2.24 -0.25 -1.25 114.28 113.07 3k6i n THR 62 Ca -0.16 -0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 61.12 3k6i n THR 62 Cb 0.52 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.93 3k6i n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k6i s ARG 63 N -1.19 1.38 0.61 -0.78 1.70 -1.26 -4.73 118.95 114.68 3k6i s ARG 63 Ca 0.12 -0.75 -0.18 0.00 -0.47 0.00 0.00 55.73 54.44 3k6i s ARG 63 Cb 0.09 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.92 3k6i s ARG 63 CO 0.21 -0.63 1.20 -2.14 -1.08 0.00 0.00 175.30 172.86 3k6i s PRO 64 N -3.50 2.91 -0.09 3.89 0.02 -1.26 -4.92 135.00 132.05 3k6i s PRO 64 Ca 0.11 1.80 0.02 0.00 0.02 0.00 0.00 61.00 62.95 3k6i s PRO 64 Cb -0.03 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 3k6i s PRO 64 CO 0.03 -1.25 -0.14 -0.51 -0.33 0.00 0.00 177.00 174.80 3k6i s LEU 65 N -4.18 2.71 -0.40 -5.54 1.43 -1.26 -4.90 118.68 106.53 3k6i s LEU 65 Ca 0.77 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.47 3k6i s LEU 65 Cb -0.30 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.37 3k6i s LEU 65 CO 0.34 0.25 0.26 -0.62 0.23 0.00 0.00 176.35 176.82 3k6i s ASP 66 N -0.19 5.94 0.54 2.29 2.15 -1.26 -0.55 116.67 125.59 3k6i s ASP 66 Ca -0.00 -0.97 0.24 0.00 0.43 0.00 0.00 52.55 52.25 3k6i s ASP 66 Cb -0.13 -2.10 1.53 0.00 -0.30 0.00 0.00 42.92 41.92 3k6i s ASP 66 CO 0.03 -0.43 2.16 -0.09 -0.17 0.00 0.00 175.17 176.67 3k6i h ARG 67 N 8.54 0.00 -0.03 4.34 2.43 -1.92 -1.08 114.38 126.66 3k6i h ARG 67 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3k6i h ARG 67 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3k6i h ARG 67 CO 0.71 0.05 0.00 0.39 -1.51 0.00 0.00 179.97 179.61 3k6i n GLU 68 N -4.01 1.55 -0.11 0.20 4.71 -1.26 -2.79 120.64 118.92 3k6i n GLU 68 Ca -0.03 -0.80 -0.19 0.00 -0.01 0.00 0.00 57.16 56.14 3k6i n GLU 68 Cb 0.14 -1.47 -0.07 0.00 -1.01 0.00 0.00 31.44 29.03 3k6i n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3k6i n ALA 69 N -0.02 0.96 -3.67 0.62 0.00 -0.47 -4.97 120.51 112.97 3k6i n ALA 69 Ca 0.19 -0.87 -0.20 0.00 0.00 0.00 0.00 53.44 52.57 3k6i n ALA 69 Cb 0.31 0.01 -0.18 0.00 0.00 0.00 0.00 19.45 19.59 3k6i n ALA 69 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k6i s ILE 70 N -2.62 -0.14 -0.14 0.00 1.01 -0.85 -5.05 121.20 113.42 3k6i s ILE 70 Ca -0.32 0.40 0.18 0.00 0.00 0.00 0.00 60.65 60.91 3k6i s ILE 70 Cb 0.09 -0.19 -0.11 0.00 0.01 0.00 0.00 42.46 42.25 3k6i s ILE 70 CO 0.45 0.16 0.86 0.00 0.00 0.00 0.00 174.94 176.41 3k6i n ALA 71 N 5.30 2.03 -3.17 9.38 0.00 -1.12 -4.21 120.51 128.72 3k6i n ALA 71 Ca -0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 3k6i n ALA 71 Cb 0.50 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 3k6i n ALA 71 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k6i s ASN 72 N -5.71 -0.21 0.07 0.00 0.01 -1.26 -0.77 114.94 107.07 3k6i s ASN 72 Ca -0.03 0.30 0.09 0.00 -0.71 0.00 0.00 52.86 52.52 3k6i s ASN 72 Cb 0.09 0.44 -0.03 0.00 0.41 0.00 0.00 41.25 42.15 3k6i s ASN 72 CO 0.81 -0.23 -0.26 -0.31 -1.51 0.00 0.00 177.10 175.60 3k6i s TYR 73 N -0.49 2.23 -0.28 2.20 1.51 0.69 -5.00 117.35 118.21 3k6i s TYR 73 Ca -0.06 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.60 3k6i s TYR 73 Cb -0.04 -1.30 0.08 0.00 -0.11 0.00 0.00 41.96 40.60 3k6i s TYR 73 CO 0.02 0.19 0.05 -2.00 -1.11 0.00 0.00 175.55 172.69 3k6i s GLU 74 N -1.49 0.98 0.34 -0.62 2.12 -1.26 -1.33 118.70 117.43 3k6i s GLU 74 Ca 0.12 -1.04 0.07 0.00 0.36 0.00 0.00 54.97 54.49 3k6i s GLU 74 Cb -0.10 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.99 3k6i s GLU 74 CO 0.03 -0.84 0.30 -0.51 -0.54 0.00 0.00 175.26 173.70 3k6i s LEU 75 N 1.53 3.60 -0.14 2.70 1.43 0.11 -4.61 118.68 123.29 3k6i s LEU 75 Ca 0.05 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3k6i s LEU 75 Cb -0.18 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 3k6i s LEU 75 CO -0.16 -0.37 -0.07 -1.61 0.23 0.00 0.00 176.35 174.37 3k6i s GLU 76 N -4.00 3.51 -0.05 1.70 2.02 -0.08 -0.71 118.70 121.09 3k6i s GLU 76 Ca 0.41 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.87 3k6i s GLU 76 Cb -0.06 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 3k6i s GLU 76 CO 0.27 0.26 -0.21 0.54 0.02 0.00 0.00 175.26 176.15 3k6i s VAL 77 N 0.27 1.71 0.21 2.63 0.11 -0.26 -1.03 120.40 124.03 3k6i s VAL 77 Ca -0.05 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.08 3k6i s VAL 77 Cb -0.15 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 33.22 3k6i s VAL 77 CO 0.04 0.48 0.23 -1.83 -3.33 0.00 0.00 175.10 170.69 3k6i s GLU 78 N -0.03 1.30 -0.05 1.54 -1.05 -0.47 -0.67 118.70 119.26 3k6i s GLU 78 Ca -0.04 -1.53 0.04 0.00 -0.15 0.00 0.00 54.97 53.29 3k6i s GLU 78 Cb -0.13 0.33 -0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3k6i s GLU 78 CO 0.03 -0.46 -0.18 0.08 0.95 0.00 0.00 175.26 175.67 3k6i s VAL 79 N -4.11 1.54 0.33 1.83 1.01 -0.16 -0.70 120.40 120.13 3k6i s VAL 79 Ca 0.34 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.64 3k6i s VAL 79 Cb 0.05 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3k6i s VAL 79 CO 0.11 0.44 0.06 0.42 0.00 0.00 0.00 175.10 176.13 3k6i s THR 80 N 0.07 2.91 0.99 3.92 -4.23 0.18 -0.54 115.64 118.95 3k6i s THR 80 Ca -0.06 -1.86 -0.17 0.00 -1.18 0.00 0.00 61.69 58.43 3k6i s THR 80 Cb -0.13 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 71.09 3k6i s THR 80 CO 0.03 -0.22 0.94 -0.90 -0.54 0.00 0.00 174.62 173.92 3k6i n ASP 81 N -1.02 -1.62 0.27 3.99 5.68 -0.07 -0.60 116.55 123.19 3k6i n ASP 81 Ca -0.04 -1.11 0.16 0.00 -0.50 0.00 0.00 54.79 53.30 3k6i n ASP 81 Cb 0.61 -0.84 0.75 0.00 -1.14 0.00 0.00 41.12 40.51 3k6i n ASP 81 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3k6i h LEU 82 N 0.00 0.00 -0.68 -2.12 3.38 -1.89 -2.24 115.31 111.76 3k6i h LEU 82 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3k6i h LEU 82 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3k6i h LEU 82 CO 0.23 0.08 -0.10 -1.20 0.09 0.00 0.00 178.44 177.53 3k6i n SER 83 N -3.31 1.15 0.00 -0.43 7.64 -1.26 -4.95 113.62 112.46 3k6i n SER 83 Ca -0.01 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.70 3k6i n SER 83 Cb 0.27 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3k6i n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k6i n GLY 84 N 1.23 0.83 3.70 0.23 0.00 -0.84 -5.06 105.19 105.28 3k6i n GLY 84 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3k6i n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k6i s LYS 85 N -0.88 4.47 0.14 1.61 2.20 -1.26 -4.82 119.74 121.20 3k6i s LYS 85 Ca 0.00 1.29 -0.31 0.00 -0.36 0.00 0.00 55.97 56.59 3k6i s LYS 85 Cb 0.00 -3.50 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 3k6i s LYS 85 CO 0.00 -0.15 1.57 0.42 -0.36 0.00 0.00 175.35 176.83 3k6i s ILE 86 N 1.42 2.79 0.00 5.43 1.01 -1.26 -0.89 121.20 129.70 3k6i s ILE 86 Ca 0.47 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.63 3k6i s ILE 86 Cb -0.19 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3k6i s ILE 86 CO 0.22 0.03 0.16 2.30 0.00 0.00 0.00 174.94 177.65 3k6i n ILE 87 N 4.14 0.00 -3.64 2.92 -5.35 0.30 -4.88 119.36 112.84 3k6i n ILE 87 Ca 0.14 -0.47 -0.12 0.00 -0.27 0.00 0.00 62.75 62.03 3k6i n ILE 87 Cb 0.39 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.24 3k6i n ILE 87 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3k6i s ASP 88 N -0.62 -0.78 0.05 7.28 -1.08 -0.89 -4.99 116.67 115.64 3k6i s ASP 88 Ca 0.00 1.44 0.00 0.00 -0.52 0.00 0.00 52.55 53.47 3k6i s ASP 88 Cb 0.00 1.42 0.00 0.00 -1.46 0.00 0.00 42.92 42.88 3k6i s ASP 88 CO 0.00 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.06 3k6i n GLY 89 N 3.07 -1.86 3.79 2.66 0.00 -1.26 -0.99 105.19 110.60 3k6i n GLY 89 Ca -0.15 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 3k6i n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k6i s PRO 90 N 0.00 3.07 0.22 1.61 0.04 -1.26 -4.90 135.00 133.79 3k6i s PRO 90 Ca 0.00 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.36 3k6i s PRO 90 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 3k6i s PRO 90 CO 0.00 -1.01 -0.13 0.14 0.04 0.00 0.00 177.00 176.04 3k6i s VAL 91 N -2.47 1.73 -0.01 -0.36 -7.23 0.15 -4.93 120.40 107.27 3k6i s VAL 91 Ca 0.64 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 3k6i s VAL 91 Cb -0.17 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 3k6i s VAL 91 CO 0.40 -0.53 0.94 -0.60 -0.31 0.00 0.00 175.10 175.01 3k6i s ARG 92 N -3.66 4.54 -0.30 4.82 3.52 -1.26 -1.11 118.95 125.50 3k6i s ARG 92 Ca 0.24 1.34 -0.01 0.00 -0.13 0.00 0.00 55.73 57.18 3k6i s ARG 92 Cb 0.00 -3.46 0.06 0.00 -1.56 0.00 0.00 34.95 29.99 3k6i s ARG 92 CO 0.08 -0.03 -0.00 -1.17 -0.81 0.00 0.00 175.30 173.36 3k6i s LEU 93 N 0.98 3.96 0.02 -0.88 2.96 0.11 -4.81 118.68 121.02 3k6i s LEU 93 Ca 0.50 -1.41 -0.24 0.00 -0.22 0.00 0.00 54.13 52.76 3k6i s LEU 93 Cb -0.21 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3k6i s LEU 93 CO 0.27 -0.27 0.74 -1.81 -1.32 0.00 0.00 176.35 173.95 3k6i s ASP 94 N 1.25 7.15 -0.14 3.68 1.01 -1.26 -0.72 116.67 127.64 3k6i s ASP 94 Ca -0.04 1.38 -0.00 0.00 0.71 0.00 0.00 52.55 54.60 3k6i s ASP 94 Cb -0.20 -2.45 0.03 0.00 1.01 0.00 0.00 42.92 41.31 3k6i s ASP 94 CO -0.03 -0.01 -0.09 -0.63 0.21 0.00 0.00 175.17 174.63 3k6i s ILE 95 N 0.11 1.24 -0.12 0.77 1.01 -0.44 -0.77 121.20 122.99 3k6i s ILE 95 Ca 0.38 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 3k6i s ILE 95 Cb -0.20 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3k6i s ILE 95 CO 0.22 0.34 -0.09 -0.44 0.00 0.00 0.00 174.94 174.96 3k6i s SER 96 N 1.61 4.36 -0.12 3.58 0.01 0.24 -0.23 113.70 123.15 3k6i s SER 96 Ca 0.04 -0.21 -0.21 0.00 1.31 0.00 0.00 55.95 56.88 3k6i s SER 96 Cb -0.13 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 3k6i s SER 96 CO -0.09 0.21 0.59 -0.69 0.41 0.00 0.00 173.24 173.67 3k6i s VAL 97 N 0.11 5.10 0.22 3.43 1.01 0.05 -0.90 120.40 129.42 3k6i s VAL 97 Ca -0.04 1.18 0.10 0.00 0.00 0.00 0.00 61.98 63.22 3k6i s VAL 97 Cb -0.14 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3k6i s VAL 97 CO 0.04 0.25 -0.11 0.27 0.00 0.00 0.00 175.10 175.55 3k6i s ILE 98 N 0.99 3.04 -1.77 2.22 -4.36 -0.27 -4.86 121.20 116.19 3k6i s ILE 98 Ca 0.31 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 3k6i s ILE 98 Cb -0.16 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.00 3k6i s ILE 98 CO 0.13 -0.23 0.44 0.47 0.24 0.00 0.00 174.94 175.99