#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6p s GLN 2 N 0.00 3.35 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.72 1k6p s GLN 2 Ca 0.00 -0.67 -0.05 0.00 0.05 0.00 0.00 55.36 54.69 1k6p s GLN 2 Cb 0.00 -2.79 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 1k6p s GLN 2 CO 0.00 0.00 0.01 0.42 -0.55 0.00 0.00 175.29 175.17 1k6p s ILE 3 N 0.91 3.92 0.50 -2.34 -1.09 -1.26 -5.11 121.20 116.74 1k6p s ILE 3 Ca -0.02 -0.32 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 1k6p s ILE 3 Cb -0.15 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 1k6p s ILE 3 CO -0.00 0.41 0.84 0.42 -1.23 0.00 0.00 174.94 175.38 1k6p s THR 4 N 1.20 4.85 -0.22 2.92 -4.23 -1.26 -5.01 115.64 113.89 1k6p s THR 4 Ca 0.03 0.41 0.15 0.00 -1.18 0.00 0.00 61.69 61.10 1k6p s THR 4 Cb -0.15 -3.85 0.69 0.00 1.34 0.00 0.00 72.50 70.53 1k6p s THR 4 CO 0.01 -0.87 1.61 0.18 -0.54 0.00 0.00 174.62 175.01 1k6p n LEU 5 N -2.24 4.94 0.04 4.79 4.77 -1.26 -4.45 117.00 123.58 1k6p n LEU 5 Ca 0.02 -3.01 0.02 0.00 -0.03 0.00 0.00 56.01 53.01 1k6p n LEU 5 Cb 0.55 -0.63 0.37 0.00 -2.33 0.00 0.00 43.42 41.37 1k6p n LEU 5 CO 0.54 0.67 0.99 -0.50 -1.33 0.00 0.00 177.39 177.75 1k6p h TRP 6 N 2.90 0.44 -2.36 -1.77 4.06 -2.06 -3.43 115.95 113.73 1k6p h TRP 6 Ca 0.02 -0.03 -0.54 0.00 2.06 0.00 0.00 58.89 60.40 1k6p h TRP 6 Cb 1.77 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 29.66 1k6p h TRP 6 CO 0.85 0.42 -0.66 0.15 -3.56 0.00 0.00 178.44 175.63 1k6p s LYS 7 N -5.04 1.68 0.21 0.49 -0.14 -1.26 -5.09 119.74 110.58 1k6p s LYS 7 Ca -0.07 -1.87 -0.32 0.00 -1.36 0.00 0.00 55.97 52.35 1k6p s LYS 7 Cb 0.16 -1.34 -0.13 0.00 -1.68 0.00 0.00 37.83 34.83 1k6p s LYS 7 CO 0.74 0.04 1.54 0.54 -0.76 0.00 0.00 175.35 177.46 1k6p n ARG 8 N -0.69 2.26 -1.99 1.68 1.74 -1.26 -4.81 116.66 113.59 1k6p n ARG 8 Ca -0.05 0.81 -0.34 0.00 -0.77 0.00 0.00 57.85 57.50 1k6p n ARG 8 Cb 0.64 -2.55 -0.05 0.00 -1.02 0.00 0.00 32.46 29.48 1k6p n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1k6p n PRO 9 N 2.84 1.91 -3.42 5.56 -0.04 -1.26 -4.92 135.00 135.66 1k6p n PRO 9 Ca 0.14 -2.51 -0.37 0.00 -0.04 0.00 0.00 63.50 60.71 1k6p n PRO 9 Cb 0.31 -3.54 -0.07 0.00 -0.04 0.00 0.00 33.50 30.17 1k6p n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k6p s LEU 10 N 7.86 4.21 0.18 1.53 1.43 -1.26 -1.11 118.68 131.52 1k6p s LEU 10 Ca 0.63 0.58 0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1k6p s LEU 10 Cb 0.03 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1k6p s LEU 10 CO 0.12 0.00 -0.09 0.68 0.23 0.00 0.00 176.35 177.29 1k6p s VAL 11 N 0.87 1.24 -0.01 -1.59 -7.23 -0.12 -4.93 120.40 108.64 1k6p s VAL 11 Ca 0.20 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 58.06 1k6p s VAL 11 Cb -0.14 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1k6p s VAL 11 CO 0.07 -0.63 0.67 -0.89 -0.31 0.00 0.00 175.10 174.01 1k6p s THR 12 N -3.28 4.90 0.21 5.32 2.01 -1.26 -0.66 115.64 122.86 1k6p s THR 12 Ca 0.20 1.40 0.09 0.00 0.31 0.00 0.00 61.69 63.69 1k6p s THR 12 Cb 0.03 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1k6p s THR 12 CO 0.03 0.36 -0.16 0.27 -0.69 0.00 0.00 174.62 174.43 1k6p s ILE 13 N 0.10 1.87 -0.14 1.82 -4.36 0.92 -0.97 121.20 120.44 1k6p s ILE 13 Ca 0.35 -2.17 -0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1k6p s ILE 13 Cb -0.19 -2.04 0.03 0.00 1.25 0.00 0.00 42.46 41.52 1k6p s ILE 13 CO 0.19 -0.50 -0.10 -0.60 0.24 0.00 0.00 174.94 174.17 1k6p s ARG 14 N -3.43 1.86 -0.09 0.37 3.52 0.10 -0.64 118.95 120.64 1k6p s ARG 14 Ca 0.22 -0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 55.31 1k6p s ARG 14 Cb -0.03 -1.90 0.03 0.00 -1.56 0.00 0.00 34.95 31.50 1k6p s ARG 14 CO 0.08 -0.29 0.23 -1.50 -0.81 0.00 0.00 175.30 173.01 1k6p s ILE 15 N 1.59 -0.02 -1.57 4.11 2.07 -0.44 -1.23 121.20 125.72 1k6p s ILE 15 Ca 0.04 0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1k6p s ILE 15 Cb -0.13 -0.34 0.01 0.00 0.13 0.00 0.00 42.46 42.13 1k6p s ILE 15 CO -0.09 0.03 0.45 0.61 -1.91 0.00 0.00 174.94 174.03 1k6p n GLY 16 N 3.53 -0.52 3.49 1.50 0.00 -1.26 -1.15 105.19 110.78 1k6p n GLY 16 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1k6p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6p n GLY 17 N -1.36 1.27 3.84 -0.02 0.00 -1.26 -4.99 105.19 102.68 1k6p n GLY 17 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1k6p n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k6p s GLN 18 N -0.18 3.29 -0.04 1.61 -0.21 -0.30 -5.10 119.66 118.74 1k6p s GLN 18 Ca 0.00 -0.33 -0.14 0.00 0.02 0.00 0.00 55.36 54.91 1k6p s GLN 18 Cb 0.00 -3.03 -0.05 0.00 1.00 0.00 0.00 33.01 30.93 1k6p s GLN 18 CO 0.00 0.70 0.38 -0.51 -2.12 0.00 0.00 175.29 173.74 1k6p s LEU 19 N -1.56 4.43 0.19 2.90 1.43 -1.26 -1.33 118.68 123.48 1k6p s LEU 19 Ca 0.22 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 54.12 1k6p s LEU 19 Cb -0.12 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 1k6p s LEU 19 CO 0.12 0.28 0.26 -0.54 0.23 0.00 0.00 176.35 176.70 1k6p s LYS 20 N -0.75 1.23 -0.16 1.70 1.02 0.19 -4.97 119.74 118.00 1k6p s LYS 20 Ca 0.23 -1.33 -0.06 0.00 0.02 0.00 0.00 55.97 54.82 1k6p s LYS 20 Cb -0.16 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1k6p s LYS 20 CO 0.11 -0.44 0.06 -1.21 -0.92 0.00 0.00 175.35 172.95 1k6p s GLU 21 N -4.03 3.74 0.02 1.68 0.41 -1.26 -0.05 118.70 119.20 1k6p s GLU 21 Ca 0.24 -0.32 0.01 0.00 -0.41 0.00 0.00 54.97 54.49 1k6p s GLU 21 Cb 0.04 -3.14 -0.01 0.00 -1.78 0.00 0.00 34.13 29.23 1k6p s GLU 21 CO 0.05 0.42 -0.03 0.00 -0.49 0.00 0.00 175.26 175.20 1k6p s ALA 22 N -0.04 0.21 -0.11 5.21 0.00 0.16 -4.45 121.76 122.74 1k6p s ALA 22 Ca 0.06 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1k6p s ALA 22 Cb -0.12 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1k6p s ALA 22 CO 0.01 -0.07 0.70 -1.17 0.00 0.00 0.00 175.76 175.23 1k6p s LEU 23 N -0.99 4.26 -0.52 0.00 2.96 -0.34 -0.95 118.68 123.10 1k6p s LEU 23 Ca -0.09 1.10 -0.28 0.00 -0.22 0.00 0.00 54.13 54.63 1k6p s LEU 23 Cb -0.07 -3.05 0.03 0.00 0.50 0.00 0.00 46.19 43.60 1k6p s LEU 23 CO -0.00 -0.19 1.15 -0.76 -1.32 0.00 0.00 176.35 175.23 1k6p s LEU 24 N 1.23 3.57 -0.34 -0.68 1.43 -0.27 -1.14 118.68 122.48 1k6p s LEU 24 Ca 0.35 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1k6p s LEU 24 Cb -0.17 -3.36 0.08 0.00 0.03 0.00 0.00 46.19 42.78 1k6p s LEU 24 CO 0.15 -1.35 0.07 -0.62 0.23 0.00 0.00 176.35 174.84 1k6p s ASP 25 N 2.68 4.95 0.26 2.29 -1.08 -0.54 -4.77 116.67 120.45 1k6p s ASP 25 Ca 0.45 -1.77 0.24 0.00 -0.52 0.00 0.00 52.55 50.96 1k6p s ASP 25 Cb -0.07 -1.72 0.96 0.00 -1.46 0.00 0.00 42.92 40.63 1k6p s ASP 25 CO 0.29 -0.38 1.73 0.35 0.52 0.00 0.00 175.17 177.67 1k6p n THR 26 N 4.50 0.78 1.27 1.71 -2.24 -1.26 -2.74 114.28 116.30 1k6p n THR 26 Ca -0.05 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1k6p n THR 26 Cb 0.42 -1.07 0.36 0.00 -2.10 0.00 0.00 70.33 67.95 1k6p n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k6p n GLY 27 N 0.22 -0.36 3.67 3.38 0.00 -1.26 -4.80 105.19 106.04 1k6p n GLY 27 Ca 0.03 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1k6p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6p s ALA 28 N -2.38 3.62 0.11 4.61 0.00 -1.11 -4.97 121.76 121.64 1k6p s ALA 28 Ca 0.27 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1k6p s ALA 28 Cb 0.20 -2.33 -0.14 0.00 0.00 0.00 0.00 23.12 20.84 1k6p s ALA 28 CO 0.48 -0.14 1.33 -0.44 0.00 0.00 0.00 175.76 176.99 1k6p h ASP 29 N 7.34 0.95 -0.66 0.00 3.32 -1.88 0.68 116.42 126.17 1k6p h ASP 29 Ca -0.38 -0.60 -0.58 0.00 0.02 0.00 0.00 57.03 55.49 1k6p h ASP 29 Cb 1.17 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.39 1k6p h ASP 29 CO 0.68 1.39 -0.32 -1.81 -1.72 0.00 0.00 179.24 177.47 1k6p s ASP 30 N -7.05 4.64 -0.19 6.45 1.01 -1.26 -2.92 116.67 117.35 1k6p s ASP 30 Ca -0.11 -1.22 -0.04 0.00 0.71 0.00 0.00 52.55 51.89 1k6p s ASP 30 Cb 0.09 0.33 -0.02 0.00 1.01 0.00 0.00 42.92 44.32 1k6p s ASP 30 CO 0.90 -1.06 -0.02 -0.89 0.21 0.00 0.00 175.17 174.32 1k6p s THR 31 N -2.75 3.88 -0.14 -1.27 2.01 -1.26 -2.62 115.64 113.49 1k6p s THR 31 Ca 0.35 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1k6p s THR 31 Cb -0.02 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.77 1k6p s THR 31 CO 0.21 0.45 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.75 1k6p s VAL 32 N 0.84 1.59 0.14 3.82 1.01 -0.01 -0.52 120.40 127.27 1k6p s VAL 32 Ca 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1k6p s VAL 32 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1k6p s VAL 32 CO 0.02 0.46 -0.06 -0.76 0.00 0.00 0.00 175.10 174.76 1k6p s LEU 33 N 1.29 3.16 0.74 3.92 1.43 0.78 0.05 118.68 130.04 1k6p s LEU 33 Ca 0.01 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1k6p s LEU 33 Cb -0.14 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1k6p s LEU 33 CO -0.08 0.14 1.24 -1.61 0.23 0.00 0.00 176.35 176.27 1k6p s GLU 34 N -2.57 2.06 -0.09 1.70 2.02 -1.26 -1.98 118.70 118.57 1k6p s GLU 34 Ca 0.24 1.86 -0.40 0.00 0.02 0.00 0.00 54.97 56.70 1k6p s GLU 34 Cb -0.10 -1.81 -0.18 0.00 0.10 0.00 0.00 34.13 32.13 1k6p s GLU 34 CO 0.16 -1.92 1.34 -1.91 0.02 0.00 0.00 175.26 172.94 1k6p n GLU 35 N -2.70 0.54 -3.63 1.61 4.07 -0.62 -4.55 120.64 115.36 1k6p n GLU 35 Ca 0.14 0.20 -0.14 0.00 -0.06 0.00 0.00 57.16 57.30 1k6p n GLU 35 Cb 0.50 -1.77 -0.07 0.00 -0.06 0.00 0.00 31.44 30.04 1k6p n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k6p s MET 36 N 1.13 0.83 -1.18 5.31 0.23 -1.26 -5.01 119.30 119.34 1k6p s MET 36 Ca 0.92 0.91 -0.13 0.00 -1.03 0.00 0.00 55.69 56.36 1k6p s MET 36 Cb -1.17 0.40 0.19 0.00 -1.53 0.00 0.00 34.83 32.72 1k6p s MET 36 CO 0.59 -0.11 1.37 1.21 -2.03 0.00 0.00 175.02 176.04 1k6p s ASN 37 N 0.25 7.11 0.33 -1.18 3.04 -1.26 -5.00 114.94 118.23 1k6p s ASN 37 Ca -0.01 -3.08 -0.26 0.00 0.04 0.00 0.00 52.86 49.54 1k6p s ASN 37 Cb -0.05 -2.37 -0.09 0.00 -1.54 0.00 0.00 41.25 37.20 1k6p s ASN 37 CO 0.02 -0.67 1.01 -0.76 -3.04 0.00 0.00 177.10 173.66 1k6p s LEU 38 N 1.09 4.34 0.69 3.21 1.43 -1.26 -5.03 118.68 123.15 1k6p s LEU 38 Ca 0.40 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 1k6p s LEU 38 Cb -0.04 -3.95 0.01 0.00 0.03 0.00 0.00 46.19 42.23 1k6p s LEU 38 CO -0.02 -0.21 1.06 -2.16 0.23 0.00 0.00 176.35 175.25 1k6p s PRO 39 N -2.00 2.93 0.00 1.29 0.04 -1.26 -4.95 135.00 131.05 1k6p s PRO 39 Ca 0.51 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1k6p s PRO 39 Cb -0.23 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1k6p s PRO 39 CO 0.30 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1k6p n GLY 40 N -1.89 2.26 3.86 0.56 0.00 -1.26 -5.05 105.19 103.68 1k6p n GLY 40 Ca 0.08 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 1k6p n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k6p s ARG 41 N -2.33 3.77 0.14 1.61 3.00 -1.26 -5.08 118.95 118.79 1k6p s ARG 41 Ca 0.00 0.77 -0.15 0.00 0.00 0.00 0.00 55.73 56.35 1k6p s ARG 41 Cb 0.00 -2.16 0.02 0.00 0.00 0.00 0.00 34.95 32.82 1k6p s ARG 41 CO 0.00 -0.36 0.38 1.67 0.00 0.00 0.00 175.30 177.00 1k6p s TRP 42 N -2.82 -0.08 0.02 -0.53 1.48 -1.26 -4.67 118.94 111.08 1k6p s TRP 42 Ca 0.56 -0.26 0.08 0.00 -1.06 0.00 0.00 56.10 55.41 1k6p s TRP 42 Cb -0.10 0.21 -0.03 0.00 -1.16 0.00 0.00 33.47 32.39 1k6p s TRP 42 CO 0.41 -0.72 -0.23 -1.59 -4.06 0.00 0.00 176.95 170.76 1k6p s LYS 43 N -3.84 2.02 0.55 3.25 -2.85 -0.93 -4.91 119.74 113.04 1k6p s LYS 43 Ca 0.06 -0.99 -0.19 0.00 -1.00 0.00 0.00 55.97 53.85 1k6p s LYS 43 Cb 0.02 -2.08 -0.06 0.00 -2.06 0.00 0.00 37.83 33.65 1k6p s LYS 43 CO -0.09 0.54 1.14 -1.25 0.10 0.00 0.00 175.35 175.80 1k6p s PRO 44 N -1.05 3.30 0.14 1.78 0.04 -1.26 -1.19 135.00 136.76 1k6p s PRO 44 Ca 0.12 1.65 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 1k6p s PRO 44 Cb -0.10 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1k6p s PRO 44 CO 0.02 -0.90 0.54 0.21 0.04 0.00 0.00 177.00 176.91 1k6p s LYS 45 N -3.28 1.20 -0.08 4.56 2.20 -0.45 -4.86 119.74 119.03 1k6p s LYS 45 Ca 0.73 -0.49 0.05 0.00 -0.36 0.00 0.00 55.97 55.90 1k6p s LYS 45 Cb -0.25 0.55 -0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1k6p s LYS 45 CO 0.28 -0.50 -0.24 -1.64 -0.36 0.00 0.00 175.35 172.89 1k6p s MET 46 N -3.58 2.85 0.00 4.03 -1.94 -1.26 -0.55 119.30 118.85 1k6p s MET 46 Ca 0.01 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.14 1k6p s MET 46 Cb -0.00 -2.25 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 1k6p s MET 46 CO -0.11 0.26 -0.12 0.96 -0.01 0.00 0.00 175.02 175.99 1k6p s ILE 47 N 0.14 0.98 -0.12 2.53 -4.36 -1.05 -4.98 121.20 114.33 1k6p s ILE 47 Ca -0.13 -0.62 -0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1k6p s ILE 47 Cb -0.16 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.68 1k6p s ILE 47 CO 0.07 0.21 0.00 -0.83 0.24 0.00 0.00 174.94 174.63 1k6p s GLY 48 N -0.48 1.83 0.05 6.27 0.00 -1.26 -1.68 107.32 112.05 1k6p s GLY 48 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1k6p s GLY 48 CO -0.00 -0.31 0.01 0.61 0.00 0.00 0.00 173.10 173.41 1k6p n GLY 49 N 2.78 4.03 3.77 0.20 0.00 0.06 -4.99 105.19 111.05 1k6p n GLY 49 Ca -0.18 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1k6p n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6p s ILE 50 N -1.65 2.49 0.00 -0.61 -1.09 -1.26 -2.30 121.20 116.78 1k6p s ILE 50 Ca 0.02 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1k6p s ILE 50 Cb 0.00 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1k6p s ILE 50 CO 0.01 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.45 1k6p n GLY 51 N 0.68 2.79 0.00 6.18 0.00 -1.26 -4.95 105.19 108.63 1k6p n GLY 51 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1k6p n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6p n GLY 52 N 0.00 -0.23 3.81 -0.02 0.00 -0.97 -5.13 105.19 102.64 1k6p n GLY 52 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1k6p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k6p s PHE 53 N -2.96 3.30 0.05 1.61 0.40 -1.26 -0.76 117.98 118.36 1k6p s PHE 53 Ca 0.00 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.54 1k6p s PHE 53 Cb 0.00 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 1k6p s PHE 53 CO 0.00 0.55 -0.13 0.96 0.70 0.00 0.00 175.22 177.30 1k6p s ILE 54 N -1.36 0.98 -0.01 0.64 -4.36 -0.68 -4.97 121.20 111.46 1k6p s ILE 54 Ca 0.29 -1.04 -0.25 0.00 -0.26 0.00 0.00 60.65 59.38 1k6p s ILE 54 Cb -0.12 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 1k6p s ILE 54 CO 0.21 -0.11 0.77 -0.75 0.24 0.00 0.00 174.94 175.30 1k6p s LYS 55 N -1.30 4.48 0.18 0.37 2.20 -1.26 -2.54 119.74 121.87 1k6p s LYS 55 Ca -0.01 1.05 0.02 0.00 -0.36 0.00 0.00 55.97 56.67 1k6p s LYS 55 Cb -0.08 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1k6p s LYS 55 CO 0.01 0.14 -0.00 0.14 -0.36 0.00 0.00 175.35 175.28 1k6p s VAL 56 N 0.46 0.73 -0.21 4.02 -7.23 0.29 -4.55 120.40 113.90 1k6p s VAL 56 Ca 0.40 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 1k6p s VAL 56 Cb -0.19 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1k6p s VAL 56 CO 0.22 -0.48 0.02 -0.13 -0.31 0.00 0.00 175.10 174.42 1k6p s ARG 57 N -3.90 3.66 -0.23 4.82 0.52 0.12 -1.34 118.95 122.60 1k6p s ARG 57 Ca 0.24 -0.49 -0.17 0.00 -0.52 0.00 0.00 55.73 54.79 1k6p s ARG 57 Cb 0.06 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1k6p s ARG 57 CO 0.04 -0.00 0.45 -1.14 0.02 0.00 0.00 175.30 174.66 1k6p s GLN 58 N 1.07 4.12 -0.08 3.54 0.74 -0.33 -0.39 119.66 128.32 1k6p s GLN 58 Ca 0.03 0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.70 1k6p s GLN 58 Cb -0.14 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 1k6p s GLN 58 CO 0.02 -0.18 -0.12 0.71 -0.55 0.00 0.00 175.29 175.17 1k6p s TYR 59 N 1.76 2.80 0.22 1.67 1.51 -0.29 -2.18 117.35 122.84 1k6p s TYR 59 Ca 0.20 -0.27 0.06 0.00 -1.01 0.00 0.00 57.07 56.05 1k6p s TYR 59 Cb -0.15 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1k6p s TYR 59 CO 0.09 0.08 0.18 -0.51 -1.11 0.00 0.00 175.55 174.29 1k6p s ASP 60 N -0.36 5.57 -1.34 2.29 1.01 -1.26 -1.04 116.67 121.55 1k6p s ASP 60 Ca 0.04 -0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.07 1k6p s ASP 60 Cb -0.12 -1.44 -0.00 0.00 1.01 0.00 0.00 42.92 42.36 1k6p s ASP 60 CO 0.02 -0.00 0.54 0.00 0.21 0.00 0.00 175.17 175.95 1k6p n GLN 61 N -0.89 -3.28 -3.57 8.23 1.13 -1.20 -4.92 117.38 112.89 1k6p n GLN 61 Ca -0.08 0.46 -0.36 0.00 -1.94 0.00 0.00 57.00 55.08 1k6p n GLN 61 Cb 0.57 -4.60 -0.08 0.00 0.11 0.00 0.00 30.24 26.24 1k6p n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1k6p s ILE 62 N -3.81 5.32 0.02 5.09 -1.09 -0.64 -4.79 121.20 121.30 1k6p s ILE 62 Ca 0.09 0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 58.64 1k6p s ILE 62 Cb -0.03 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 1k6p s ILE 62 CO 0.87 0.36 1.19 -2.84 -1.23 0.00 0.00 174.94 173.29 1k6p s PRO 63 N 0.73 4.42 -0.04 2.79 0.02 -1.26 -2.13 135.00 139.52 1k6p s PRO 63 Ca 0.14 1.72 -0.02 0.00 0.02 0.00 0.00 61.00 62.86 1k6p s PRO 63 Cb -0.13 -3.42 0.03 0.00 0.02 0.00 0.00 34.50 30.99 1k6p s PRO 63 CO 0.04 -0.30 0.09 -1.50 -0.33 0.00 0.00 177.00 175.00 1k6p s ILE 64 N 1.42 -0.04 -0.27 2.83 2.07 -0.30 -4.52 121.20 122.39 1k6p s ILE 64 Ca 0.58 0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.86 1k6p s ILE 64 Cb -0.27 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 1k6p s ILE 64 CO 0.27 0.05 0.11 -0.70 -1.91 0.00 0.00 174.94 172.77 1k6p s GLU 65 N 0.77 3.62 -0.31 3.50 2.12 -0.36 -1.20 118.70 126.83 1k6p s GLU 65 Ca -0.06 -0.52 -0.09 0.00 0.36 0.00 0.00 54.97 54.67 1k6p s GLU 65 Cb -0.08 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.87 1k6p s GLU 65 CO -0.03 -0.25 0.13 0.42 -0.54 0.00 0.00 175.26 174.99 1k6p s ILE 66 N 1.64 4.32 -1.68 -3.70 1.01 0.24 -0.72 121.20 122.30 1k6p s ILE 66 Ca 0.06 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 1k6p s ILE 66 Cb -0.16 -3.25 0.13 0.00 0.01 0.00 0.00 42.46 39.20 1k6p s ILE 66 CO 0.06 0.02 0.57 0.00 0.00 0.00 0.00 174.94 175.59 1k6p n GLY 68 N -1.57 3.25 3.80 0.00 0.00 -1.26 -5.04 105.19 104.37 1k6p n GLY 68 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1k6p n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k6p s HIS 69 N -2.35 3.63 0.25 1.61 4.02 0.15 -5.06 115.29 117.55 1k6p s HIS 69 Ca 0.00 0.87 -0.18 0.00 1.02 0.00 0.00 55.06 56.77 1k6p s HIS 69 Cb 0.00 -2.31 -0.08 0.00 -1.02 0.00 0.00 32.58 29.16 1k6p s HIS 69 CO 0.00 0.50 0.72 0.15 1.02 0.00 0.00 174.74 177.13 1k6p s LYS 70 N -0.51 4.15 0.22 1.40 1.02 -1.26 0.81 119.74 125.57 1k6p s LYS 70 Ca 0.22 0.78 -0.15 0.00 0.02 0.00 0.00 55.97 56.83 1k6p s LYS 70 Cb -0.15 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1k6p s LYS 70 CO 0.10 0.32 0.51 0.00 -0.92 0.00 0.00 175.35 175.36 1k6p s ALA 71 N -1.68 -0.63 -0.23 5.17 0.00 -0.34 -4.74 121.76 119.31 1k6p s ALA 71 Ca 0.47 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 1k6p s ALA 71 Cb -0.14 0.93 0.07 0.00 0.00 0.00 0.00 23.12 23.98 1k6p s ALA 71 CO 0.20 -0.84 0.57 -1.50 0.00 0.00 0.00 175.76 174.19 1k6p s ILE 72 N -3.94 -0.01 0.00 0.00 2.07 -1.26 -1.15 121.20 116.91 1k6p s ILE 72 Ca 0.15 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1k6p s ILE 72 Cb -0.01 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.75 1k6p s ILE 72 CO 0.03 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1k6p n GLY 73 N 4.26 0.56 3.74 1.50 0.00 -0.91 -4.87 105.19 109.47 1k6p n GLY 73 Ca -0.21 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1k6p n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k6p s THR 74 N -2.02 3.61 -0.04 2.61 2.01 -1.26 -1.63 115.64 118.92 1k6p s THR 74 Ca 0.00 1.34 0.02 0.00 0.31 0.00 0.00 61.69 63.36 1k6p s THR 74 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1k6p s THR 74 CO 0.00 0.21 -0.08 0.68 -0.69 0.00 0.00 174.62 174.74 1k6p s VAL 75 N 0.03 0.77 -0.17 3.82 -7.23 -0.20 -4.49 120.40 112.93 1k6p s VAL 75 Ca 0.53 -0.29 -0.09 0.00 -1.81 0.00 0.00 61.98 60.33 1k6p s VAL 75 Cb -0.32 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 1k6p s VAL 75 CO 0.36 0.27 0.12 -0.76 -0.31 0.00 0.00 175.10 174.78 1k6p s LEU 76 N 0.64 4.21 -0.10 1.32 1.43 0.32 -1.14 118.68 125.35 1k6p s LEU 76 Ca -0.10 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1k6p s LEU 76 Cb -0.13 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1k6p s LEU 76 CO 0.01 0.25 -0.12 -0.69 0.23 0.00 0.00 176.35 176.04 1k6p s VAL 77 N -0.10 3.22 -0.02 -1.59 1.01 0.47 -0.16 120.40 123.24 1k6p s VAL 77 Ca 0.10 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1k6p s VAL 77 Cb -0.11 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1k6p s VAL 77 CO 0.00 0.55 0.36 0.61 0.00 0.00 0.00 175.10 176.62 1k6p n GLY 78 N 3.00 0.40 2.87 4.51 0.00 -0.84 0.15 105.19 115.28 1k6p n GLY 78 Ca -0.18 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1k6p n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k6p n PRO 79 N -0.26 2.79 -4.01 1.61 -0.04 -1.26 -1.58 135.00 132.25 1k6p n PRO 79 Ca 0.02 -2.63 -0.34 0.00 -0.04 0.00 0.00 63.50 60.50 1k6p n PRO 79 Cb 0.16 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 1k6p n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k6p s THR 80 N 3.53 5.11 -0.67 0.52 -1.32 -1.26 -4.99 115.64 116.56 1k6p s THR 80 Ca 0.49 -0.18 0.20 0.00 -1.21 0.00 0.00 61.69 60.99 1k6p s THR 80 Cb 0.13 -3.32 0.20 0.00 -1.51 0.00 0.00 72.50 68.00 1k6p s THR 80 CO -0.05 0.42 1.62 -0.81 -2.21 0.00 0.00 174.62 173.58 1k6p n PRO 81 N 1.34 0.12 -3.54 7.08 -0.04 -1.26 -4.65 135.00 134.06 1k6p n PRO 81 Ca -0.14 0.36 -0.15 0.00 -0.04 0.00 0.00 63.50 63.53 1k6p n PRO 81 Cb 0.53 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 1k6p n PRO 81 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k6p s THR 82 N -3.20 0.02 0.06 0.52 -1.32 -1.26 -5.07 115.64 105.39 1k6p s THR 82 Ca 0.05 -0.14 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 1k6p s THR 82 Cb 0.09 -0.98 -0.05 0.00 -1.51 0.00 0.00 72.50 70.05 1k6p s THR 82 CO 0.34 -0.08 1.08 0.20 -2.21 0.00 0.00 174.62 173.95 1k6p s ASN 83 N -1.91 7.26 -0.10 8.08 0.01 -1.26 -4.58 114.94 122.44 1k6p s ASN 83 Ca -0.06 1.88 0.02 0.00 -0.71 0.00 0.00 52.86 53.99 1k6p s ASN 83 Cb -0.01 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1k6p s ASN 83 CO -0.01 -0.31 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.44 1k6p s VAL 84 N 0.71 1.43 -0.37 1.60 1.01 0.11 -1.20 120.40 123.69 1k6p s VAL 84 Ca 0.53 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1k6p s VAL 84 Cb -0.26 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1k6p s VAL 84 CO 0.30 0.43 0.32 -0.63 0.00 0.00 0.00 175.10 175.52 1k6p s ILE 85 N 0.88 5.21 0.60 2.22 -1.09 -0.30 -0.83 121.20 127.90 1k6p s ILE 85 Ca -0.09 -0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 1k6p s ILE 85 Cb -0.15 -3.86 0.12 0.00 -1.58 0.00 0.00 42.46 36.99 1k6p s ILE 85 CO 0.00 -0.18 0.82 0.61 -1.23 0.00 0.00 174.94 174.96 1k6p n GLY 86 N 5.08 0.49 0.29 6.18 0.00 -1.08 -1.47 105.19 114.68 1k6p n GLY 86 Ca -0.10 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.04 1k6p n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k6p h ARG 87 N 0.00 0.02 -0.21 1.61 3.08 -0.91 -1.99 114.38 115.98 1k6p h ARG 87 Ca -0.27 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.84 1k6p h ARG 87 Cb 0.97 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1k6p h ARG 87 CO 0.28 0.01 0.16 -2.95 -1.07 0.00 0.00 179.97 176.40 1k6p h ASN 88 N 0.02 0.00 0.00 7.04 -1.07 -1.80 -2.03 115.58 117.74 1k6p h ASN 88 Ca 0.07 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.10 1k6p h ASN 88 Cb 0.27 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.46 1k6p h ASN 88 CO -0.00 0.00 -2.27 0.18 0.07 0.00 0.00 177.43 175.40 1k6p n LEU 89 N -4.33 0.38 0.07 6.14 4.77 -0.94 -4.44 117.00 118.66 1k6p n LEU 89 Ca 0.02 -0.02 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1k6p n LEU 89 Cb 0.30 0.29 0.43 0.00 -2.33 0.00 0.00 43.42 42.11 1k6p n LEU 89 CO 0.34 0.51 1.05 -0.07 -1.33 0.00 0.00 177.39 177.88 1k6p h LEU 90 N 0.00 0.34 -1.07 2.23 3.38 -1.02 -1.36 115.31 117.81 1k6p h LEU 90 Ca -0.50 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 1k6p h LEU 90 Cb 2.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 1k6p h LEU 90 CO 0.01 0.33 -0.25 0.71 0.09 0.00 0.00 178.44 179.33 1k6p h THR 91 N 0.38 0.60 -0.01 0.22 1.35 -1.60 -1.54 112.91 112.31 1k6p h THR 91 Ca 0.09 -1.19 -0.14 0.00 -0.55 0.00 0.00 66.41 64.63 1k6p h THR 91 Cb 0.11 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1k6p h THR 91 CO -0.01 0.24 -0.63 1.56 -0.25 0.00 0.00 175.52 176.43 1k6p h GLN 92 N 0.00 0.05 -0.64 4.72 4.20 -1.46 -2.93 115.11 119.04 1k6p h GLN 92 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1k6p h GLN 92 Cb 0.78 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1k6p h GLN 92 CO 0.03 0.66 0.00 0.44 -0.67 0.00 0.00 178.83 179.30 1k6p n ILE 93 N -3.80 1.26 -2.57 2.54 -5.35 -1.17 -4.93 119.36 105.33 1k6p n ILE 93 Ca -0.01 -0.95 -0.15 0.00 -0.27 0.00 0.00 62.75 61.36 1k6p n ILE 93 Cb 0.63 0.24 0.01 0.00 -1.74 0.00 0.00 39.64 38.78 1k6p n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k6p n GLY 94 N 1.27 -0.20 3.74 3.28 0.00 -1.11 -4.98 105.19 107.19 1k6p n GLY 94 Ca 0.22 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1k6p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6p s THR 96 N -0.06 1.12 -0.20 0.00 -4.23 -1.26 -4.76 115.64 106.25 1k6p s THR 96 Ca 0.52 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 1k6p s THR 96 Cb -0.32 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1k6p s THR 96 CO 0.36 -0.69 0.07 -0.22 -0.54 0.00 0.00 174.62 173.60 1k6p s LEU 97 N -2.98 3.75 -0.04 4.79 2.96 -1.26 -5.09 118.68 120.81 1k6p s LEU 97 Ca 0.14 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1k6p s LEU 97 Cb 0.01 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1k6p s LEU 97 CO 0.00 0.12 -0.11 0.20 -1.32 0.00 0.00 176.35 175.24 1k6p s ASN 98 N 0.71 1.47 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.37 1k6p s ASN 98 Ca 0.04 -0.23 0.00 0.00 -1.57 0.00 0.00 52.86 51.09 1k6p s ASN 98 Cb -0.13 -0.47 0.00 0.00 -0.02 0.00 0.00 41.25 40.63 1k6p s ASN 98 CO 0.02 0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.84