#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkk s SER 6 N 0.00 3.03 -0.04 3.54 1.04 -1.26 -0.48 113.70 119.53 1qkk s SER 6 Ca 0.00 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 1qkk s SER 6 Cb 0.00 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.94 1qkk s SER 6 CO 0.00 0.10 0.08 -0.69 0.98 0.00 0.00 173.24 173.71 1qkk s VAL 7 N -1.42 -0.02 -0.31 5.02 1.01 -0.25 -1.74 120.40 122.69 1qkk s VAL 7 Ca 0.14 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 1qkk s VAL 7 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1qkk s VAL 7 CO 0.07 0.03 0.19 -0.36 0.00 0.00 0.00 175.10 175.02 1qkk s PHE 8 N 0.47 3.20 -0.18 5.22 0.40 -0.27 -1.26 117.98 125.55 1qkk s PHE 8 Ca -0.04 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1qkk s PHE 8 Cb -0.05 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 1qkk s PHE 8 CO -0.02 -0.37 -0.02 -1.17 0.70 0.00 0.00 175.22 174.33 1qkk s LEU 9 N 1.67 3.18 -0.10 -0.37 2.96 0.45 -0.93 118.68 125.54 1qkk s LEU 9 Ca 0.06 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1qkk s LEU 9 Cb -0.17 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.75 1qkk s LEU 9 CO 0.08 0.10 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.46 1qkk s ILE 10 N 0.80 1.27 -0.14 6.68 1.09 0.14 0.19 121.20 131.23 1qkk s ILE 10 Ca -0.01 -0.49 -0.29 0.00 -1.10 0.00 0.00 60.65 58.77 1qkk s ILE 10 Cb -0.14 -1.20 0.07 0.00 -1.06 0.00 0.00 42.46 40.13 1qkk s ILE 10 CO 0.02 0.40 0.72 -0.62 -0.10 0.00 0.00 174.94 175.35 1qkk s ASP 11 N 1.18 -0.68 0.31 3.58 2.15 -1.10 -1.30 116.67 120.81 1qkk s ASP 11 Ca -0.04 0.99 0.20 0.00 0.43 0.00 0.00 52.55 54.13 1qkk s ASP 11 Cb -0.14 0.90 0.14 0.00 -0.30 0.00 0.00 42.92 43.52 1qkk s ASP 11 CO -0.03 -0.45 1.38 -0.78 -0.17 0.00 0.00 175.17 175.12 1qkk h ASP 12 N 3.78 0.00 -2.83 -0.34 3.58 -1.83 -3.41 116.42 115.38 1qkk h ASP 12 Ca -0.27 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.61 1qkk h ASP 12 Cb 1.15 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.11 1qkk h ASP 12 CO 0.25 0.23 0.92 -0.62 -2.88 0.00 0.00 179.24 177.14 1qkk s ASP 13 N -6.12 6.30 0.21 2.28 -1.08 -1.26 -4.90 116.67 112.09 1qkk s ASP 13 Ca 0.04 -0.26 -0.10 0.00 -0.52 0.00 0.00 52.55 51.71 1qkk s ASP 13 Cb 0.07 -2.53 0.28 0.00 -1.46 0.00 0.00 42.92 39.28 1qkk s ASP 13 CO 0.73 -1.59 1.70 -0.09 0.52 0.00 0.00 175.17 176.44 1qkk h ARG 14 N 9.71 0.24 -0.33 4.34 1.12 -1.99 0.09 114.38 127.55 1qkk h ARG 14 Ca -0.27 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.54 1qkk h ARG 14 Cb 1.06 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.95 1qkk h ARG 14 CO 1.21 0.16 -0.01 -0.44 -3.11 0.00 0.00 179.97 177.78 1qkk h ASP 15 N 0.24 0.58 -0.69 -3.80 3.32 -1.98 -1.92 116.42 112.18 1qkk h ASP 15 Ca 0.31 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1qkk h ASP 15 Cb 0.46 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1qkk h ASP 15 CO -0.41 0.75 0.27 0.25 -1.72 0.00 0.00 179.24 178.39 1qkk h LEU 16 N 0.39 0.95 -0.78 1.55 5.85 -1.88 -1.76 115.31 119.63 1qkk h LEU 16 Ca 0.09 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1qkk h LEU 16 Cb 0.46 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1qkk h LEU 16 CO 0.02 0.86 0.43 -0.09 -0.34 0.00 0.00 178.44 179.32 1qkk h ARG 17 N 0.98 1.09 -0.54 1.25 2.43 -0.88 0.55 114.38 119.25 1qkk h ARG 17 Ca 0.23 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1qkk h ARG 17 Cb 0.21 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1qkk h ARG 17 CO -0.02 0.80 -0.11 0.87 -1.51 0.00 0.00 179.97 180.01 1qkk h LYS 18 N 1.08 1.03 -0.48 0.20 1.79 -1.07 0.30 116.57 119.43 1qkk h LYS 18 Ca 0.28 -0.39 -0.05 0.00 -2.18 0.00 0.00 60.65 58.31 1qkk h LYS 18 Cb 0.03 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1qkk h LYS 18 CO -0.04 1.08 0.11 0.00 -1.08 0.00 0.00 179.45 179.51 1qkk h ALA 19 N 0.93 0.63 -0.54 3.86 0.00 -0.97 -1.18 119.26 121.99 1qkk h ALA 19 Ca 0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1qkk h ALA 19 Cb 0.68 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1qkk h ALA 19 CO 0.05 0.33 0.20 0.52 0.00 0.00 0.00 179.25 180.35 1qkk h MET 20 N 0.65 0.82 -0.57 0.00 2.86 -0.72 -1.45 114.93 116.52 1qkk h MET 20 Ca 0.15 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1qkk h MET 20 Cb 0.35 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1qkk h MET 20 CO 0.00 0.73 0.28 0.37 1.06 0.00 0.00 176.91 179.36 1qkk h GLN 21 N 0.74 0.81 -0.46 1.72 4.15 -0.72 -1.08 115.11 120.27 1qkk h GLN 21 Ca 0.18 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1qkk h GLN 21 Cb 0.23 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1qkk h GLN 21 CO -0.01 0.65 0.18 1.96 -1.93 0.00 0.00 178.83 179.68 1qkk h GLN 22 N 0.77 0.69 -0.26 1.69 4.20 -1.02 -0.12 115.11 121.06 1qkk h GLN 22 Ca 0.20 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1qkk h GLN 22 Cb 0.10 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1qkk h GLN 22 CO -0.03 0.63 0.17 1.15 -0.67 0.00 0.00 178.83 180.08 1qkk h THR 23 N 0.60 1.07 -0.55 -0.54 2.02 -1.06 -0.45 112.91 114.00 1qkk h THR 23 Ca 0.15 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 1qkk h THR 23 Cb 0.20 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1qkk h THR 23 CO -0.01 0.07 0.09 -0.07 0.37 0.00 0.00 175.52 175.97 1qkk h LEU 24 N 0.35 0.87 -0.89 2.58 3.38 -1.03 -2.14 115.31 118.43 1qkk h LEU 24 Ca 0.10 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1qkk h LEU 24 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1qkk h LEU 24 CO -0.02 0.91 0.21 -0.33 0.09 0.00 0.00 178.44 179.31 1qkk h GLU 25 N 0.80 1.03 0.00 1.13 5.08 -0.76 -0.54 114.58 121.31 1qkk h GLU 25 Ca 0.17 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1qkk h GLU 25 Cb 0.41 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1qkk h GLU 25 CO 0.01 0.88 0.00 1.28 -1.00 0.00 0.00 179.01 180.18 1qkk n LEU 26 N -4.27 0.70 -0.89 1.33 4.77 -0.20 -1.43 117.00 117.00 1qkk n LEU 26 Ca 0.05 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.79 1qkk n LEU 26 Cb 0.22 -0.52 0.28 0.00 -2.33 0.00 0.00 43.42 41.07 1qkk n LEU 26 CO 0.41 -0.47 0.73 0.00 -1.33 0.00 0.00 177.39 176.73 1qkk n ALA 27 N -1.77 2.46 -0.23 -1.18 0.00 -0.50 -4.94 120.51 114.35 1qkk n ALA 27 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1qkk n ALA 27 Cb 0.28 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1qkk n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qkk n GLY 28 N 1.33 0.75 3.87 0.00 0.00 -0.52 -5.05 105.19 105.57 1qkk n GLY 28 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1qkk n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qkk s PHE 29 N -2.23 3.42 -0.29 1.61 0.40 -0.33 -4.38 117.98 116.17 1qkk s PHE 29 Ca 0.00 0.95 -0.13 0.00 -0.60 0.00 0.00 56.93 57.15 1qkk s PHE 29 Cb 0.00 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1qkk s PHE 29 CO 0.00 0.19 0.28 0.99 0.70 0.00 0.00 175.22 177.38 1qkk s THR 30 N -1.92 5.24 -0.08 0.64 2.01 0.37 -4.00 115.64 117.90 1qkk s THR 30 Ca 0.49 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.75 1qkk s THR 30 Cb -0.11 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1qkk s THR 30 CO 0.22 0.14 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.50 1qkk s VAL 31 N 1.90 3.39 -0.25 3.82 1.01 -1.26 -1.09 120.40 127.93 1qkk s VAL 31 Ca 0.10 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1qkk s VAL 31 Cb -0.16 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1qkk s VAL 31 CO 0.11 0.57 -0.11 -0.44 0.00 0.00 0.00 175.10 175.23 1qkk s SER 32 N -0.45 4.19 -0.12 3.32 0.01 -0.39 -4.99 113.70 115.27 1qkk s SER 32 Ca 0.06 -1.13 -0.05 0.00 1.31 0.00 0.00 55.95 56.13 1qkk s SER 32 Cb -0.12 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1qkk s SER 32 CO 0.02 -0.15 0.08 -0.94 0.41 0.00 0.00 173.24 172.67 1qkk s SER 33 N 1.20 5.91 0.06 2.44 1.04 -1.26 -0.42 113.70 122.67 1qkk s SER 33 Ca -0.04 0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.74 1qkk s SER 33 Cb -0.18 -1.86 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 1qkk s SER 33 CO -0.06 0.36 -0.13 -0.36 0.98 0.00 0.00 173.24 174.03 1qkk s PHE 34 N -0.78 1.14 -1.90 5.02 0.40 0.13 -4.95 117.98 117.05 1qkk s PHE 34 Ca 0.13 -0.45 0.23 0.00 -0.60 0.00 0.00 56.93 56.24 1qkk s PHE 34 Cb -0.12 -0.65 0.18 0.00 0.51 0.00 0.00 43.02 42.94 1qkk s PHE 34 CO 0.03 0.04 1.20 0.00 0.70 0.00 0.00 175.22 177.19 1qkk n ALA 35 N 1.37 3.51 -3.40 5.36 0.00 -1.26 -2.69 120.51 123.39 1qkk n ALA 35 Ca -0.21 -0.58 -0.16 0.00 0.00 0.00 0.00 53.44 52.49 1qkk n ALA 35 Cb 0.54 -0.88 -0.16 0.00 0.00 0.00 0.00 19.45 18.96 1qkk n ALA 35 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qkk s SER 36 N -2.52 0.42 0.35 0.00 1.04 -1.26 -4.68 113.70 107.06 1qkk s SER 36 Ca 0.19 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.64 1qkk s SER 36 Cb 0.18 -0.17 0.66 0.00 0.10 0.00 0.00 66.02 66.79 1qkk s SER 36 CO 0.58 -0.05 1.88 0.00 0.98 0.00 0.00 173.24 176.63 1qkk h ALA 37 N 6.84 1.40 -0.46 5.32 0.00 -1.90 -2.66 119.26 127.80 1qkk h ALA 37 Ca -0.37 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1qkk h ALA 37 Cb 1.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1qkk h ALA 37 CO 0.49 0.41 0.28 1.15 0.00 0.00 0.00 179.25 181.58 1qkk h THR 38 N 0.41 1.14 -0.69 0.00 2.02 -1.95 -0.07 112.91 113.76 1qkk h THR 38 Ca 0.09 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1qkk h THR 38 Cb 0.36 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1qkk h THR 38 CO 0.02 0.15 0.15 -0.08 0.37 0.00 0.00 175.52 176.12 1qkk h GLU 39 N 0.61 1.12 -0.16 6.66 4.81 -1.93 -2.61 114.58 123.09 1qkk h GLU 39 Ca 0.17 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1qkk h GLU 39 Cb -0.00 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1qkk h GLU 39 CO -0.03 1.00 0.05 0.00 -0.73 0.00 0.00 179.01 179.31 1qkk h ALA 40 N 1.09 0.21 -0.73 2.92 0.00 -1.14 -2.91 119.26 118.71 1qkk h ALA 40 Ca 0.22 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1qkk h ALA 40 Cb 0.40 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1qkk h ALA 40 CO 0.01 -0.18 0.48 1.25 0.00 0.00 0.00 179.25 180.81 1qkk h LEU 41 N 0.09 0.53 -2.11 0.00 5.85 -0.88 -1.27 115.31 117.52 1qkk h LEU 41 Ca 0.05 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1qkk h LEU 41 Cb 0.21 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1qkk h LEU 41 CO -0.00 0.31 0.14 0.00 -0.34 0.00 0.00 178.44 178.55 1qkk h ALA 42 N 1.64 2.02 -0.13 1.25 0.00 -1.25 -1.36 119.26 121.41 1qkk h ALA 42 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1qkk h ALA 42 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1qkk h ALA 42 CO -0.12 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.31 1qkk n GLY 43 N -1.50 0.81 3.89 0.00 0.00 -0.48 -4.95 105.19 102.96 1qkk n GLY 43 Ca 0.01 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1qkk n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qkk s LEU 44 N -1.81 4.30 0.29 0.99 1.43 -0.52 -4.97 118.68 118.40 1qkk s LEU 44 Ca 0.34 0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 53.83 1qkk s LEU 44 Cb 0.20 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 43.32 1qkk s LEU 44 CO 0.31 0.11 0.71 -0.94 0.23 0.00 0.00 176.35 176.77 1qkk s SER 45 N -2.22 -0.19 0.11 2.29 1.04 -1.26 -5.01 113.70 108.45 1qkk s SER 45 Ca 0.37 -0.73 0.14 0.00 0.48 0.00 0.00 55.95 56.22 1qkk s SER 45 Cb -0.13 0.74 0.65 0.00 0.10 0.00 0.00 66.02 67.38 1qkk s SER 45 CO 0.23 -1.38 1.45 0.00 0.98 0.00 0.00 173.24 174.51 1qkk n ALA 46 N -0.47 1.43 0.92 5.32 0.00 -1.26 -1.58 120.51 124.88 1qkk n ALA 46 Ca -0.04 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1qkk n ALA 46 Cb 0.59 -1.23 0.25 0.00 0.00 0.00 0.00 19.45 19.06 1qkk n ALA 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qkk n ASP 47 N -1.79 0.51 -4.68 0.00 10.43 -1.26 -4.90 116.55 114.86 1qkk n ASP 47 Ca 0.02 -0.16 -0.43 0.00 2.57 0.00 0.00 54.79 56.79 1qkk n ASP 47 Cb 0.13 0.22 -0.03 0.00 1.84 0.00 0.00 41.12 43.27 1qkk n ASP 47 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1qkk n PHE 48 N -1.61 2.55 1.03 1.24 7.35 -0.61 -4.87 117.46 122.53 1qkk n PHE 48 Ca 0.05 -0.15 0.10 0.00 -0.76 0.00 0.00 57.45 56.69 1qkk n PHE 48 Cb 0.35 -2.72 0.31 0.00 0.35 0.00 0.00 39.48 37.77 1qkk n PHE 48 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qkk n ALA 49 N 5.96 2.49 -2.63 3.13 0.00 -1.26 -4.93 120.51 123.26 1qkk n ALA 49 Ca 0.19 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1qkk n ALA 49 Cb 0.36 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1qkk n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qkk n GLY 50 N 1.16 5.34 3.48 0.00 0.00 -1.26 -4.69 105.19 109.23 1qkk n GLY 50 Ca 0.16 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 1qkk n GLY 50 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qkk s ILE 51 N 1.55 1.48 -0.06 -0.61 -4.36 -0.71 -4.63 121.20 113.87 1qkk s ILE 51 Ca 0.00 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.42 1qkk s ILE 51 Cb 0.00 -2.75 -0.01 0.00 1.25 0.00 0.00 42.46 40.95 1qkk s ILE 51 CO 0.00 -0.08 -0.25 -0.69 0.24 0.00 0.00 174.94 174.16 1qkk s VAL 52 N -3.09 2.05 -0.19 8.37 1.01 -0.39 -1.12 120.40 127.04 1qkk s VAL 52 Ca 0.34 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1qkk s VAL 52 Cb 0.08 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.77 1qkk s VAL 52 CO 0.15 0.57 -0.07 -0.63 0.00 0.00 0.00 175.10 175.12 1qkk s ILE 53 N -0.16 1.38 0.01 2.22 1.01 -0.11 -0.41 121.20 125.15 1qkk s ILE 53 Ca -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1qkk s ILE 53 Cb -0.14 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1qkk s ILE 53 CO 0.04 0.12 -0.08 -0.55 0.00 0.00 0.00 174.94 174.47 1qkk s SER 54 N 1.51 0.92 0.50 3.58 0.15 -0.29 -0.69 113.70 119.38 1qkk s SER 54 Ca -0.01 -0.28 -0.22 0.00 0.70 0.00 0.00 55.95 56.14 1qkk s SER 54 Cb -0.16 -0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.03 1qkk s SER 54 CO -0.08 -0.00 1.19 -0.62 1.20 0.00 0.00 173.24 174.92 1qkk s ASP 55 N -0.68 5.90 0.32 5.45 -1.08 -0.42 -0.33 116.67 125.83 1qkk s ASP 55 Ca -0.01 2.35 0.16 0.00 -0.52 0.00 0.00 52.55 54.52 1qkk s ASP 55 Cb -0.05 -2.60 0.46 0.00 -1.46 0.00 0.00 42.92 39.27 1qkk s ASP 55 CO 0.00 -1.11 1.64 -0.29 0.52 0.00 0.00 175.17 175.93 1qkk h ILE 56 N 1.62 1.06 -3.48 4.11 2.10 -1.35 -3.24 117.51 118.33 1qkk h ILE 56 Ca -0.50 -1.88 -0.66 0.00 1.08 0.00 0.00 64.86 62.90 1qkk h ILE 56 Cb 1.26 2.11 -0.22 0.00 -1.09 0.00 0.00 36.82 38.88 1qkk h ILE 56 CO 0.59 0.48 -0.70 -0.13 -1.08 0.00 0.00 178.15 177.31 1qkk s ARG 57 N -3.46 3.21 -0.03 2.19 0.52 -1.26 -0.70 118.95 119.42 1qkk s ARG 57 Ca 0.00 -0.57 -0.10 0.00 -0.52 0.00 0.00 55.73 54.54 1qkk s ARG 57 Cb 0.11 -2.71 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1qkk s ARG 57 CO 0.72 0.42 0.22 -1.64 0.02 0.00 0.00 175.30 175.04 1qkk s MET 58 N -0.15 0.50 0.57 3.54 -1.94 -1.26 -4.69 119.30 115.86 1qkk s MET 58 Ca 0.02 -0.16 0.31 0.00 -1.71 0.00 0.00 55.69 54.15 1qkk s MET 58 Cb -0.13 0.22 1.70 0.00 2.01 0.00 0.00 34.83 38.63 1qkk s MET 58 CO 0.03 -0.12 2.17 -1.00 -0.01 0.00 0.00 175.02 176.09 1qkk h PRO 59 N 4.49 0.00 0.00 2.03 0.13 -1.99 -3.40 132.00 133.27 1qkk h PRO 59 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1qkk h PRO 59 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1qkk h PRO 59 CO 0.39 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 1qkk n GLY 60 N -0.90 0.94 3.66 1.56 0.00 -1.26 -4.97 105.19 104.21 1qkk n GLY 60 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1qkk n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qkk s MET 61 N 2.84 4.15 0.91 1.61 -2.45 -1.26 -4.97 119.30 120.12 1qkk s MET 61 Ca 0.00 2.26 -0.14 0.00 -1.25 0.00 0.00 55.69 56.56 1qkk s MET 61 Cb 0.00 -4.03 0.15 0.00 1.25 0.00 0.00 34.83 32.20 1qkk s MET 61 CO 0.00 -0.90 1.24 0.16 1.05 0.00 0.00 175.02 176.56 1qkk s ASP 62 N 3.67 3.61 0.39 1.11 -4.77 -1.26 -4.49 116.67 114.92 1qkk s ASP 62 Ca 0.77 0.56 0.07 0.00 -3.30 0.00 0.00 52.55 50.65 1qkk s ASP 62 Cb -0.35 -0.85 0.77 0.00 -1.09 0.00 0.00 42.92 41.40 1qkk s ASP 62 CO 0.32 -2.45 1.98 1.23 0.70 0.00 0.00 175.17 176.95 1qkk h GLY 63 N -1.44 0.52 1.93 2.12 0.00 -0.94 -1.94 103.07 103.32 1qkk h GLY 63 Ca -0.46 -0.24 -0.19 0.00 0.00 0.00 0.00 47.33 46.45 1qkk h GLY 63 CO 0.52 0.23 -0.86 1.41 0.00 0.00 0.00 176.54 177.83 1qkk h LEU 64 N 0.48 0.08 -0.46 3.11 3.38 -1.87 -1.12 115.31 118.91 1qkk h LEU 64 Ca 0.12 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1qkk h LEU 64 Cb 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1qkk h LEU 64 CO -0.01 0.90 -0.02 0.00 0.09 0.00 0.00 178.44 179.40 1qkk h ALA 65 N 1.09 0.63 -0.66 1.53 0.00 -1.83 -0.71 119.26 119.32 1qkk h ALA 65 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1qkk h ALA 65 Cb 1.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1qkk h ALA 65 CO 0.12 0.45 0.11 1.25 0.00 0.00 0.00 179.25 181.18 1qkk h LEU 66 N 0.68 1.03 -0.08 0.00 5.85 -1.31 -2.31 115.31 119.18 1qkk h LEU 66 Ca 0.13 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1qkk h LEU 66 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1qkk h LEU 66 CO 0.03 1.03 -0.05 0.15 -0.34 0.00 0.00 178.44 179.26 1qkk h PHE 67 N 1.00 -0.11 -0.71 1.25 3.57 -0.82 -0.35 116.94 120.77 1qkk h PHE 67 Ca 0.20 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1qkk h PHE 67 Cb 0.43 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1qkk h PHE 67 CO 0.03 -0.08 0.47 0.00 -2.23 0.00 0.00 178.31 176.51 1qkk h ARG 68 N -0.05 0.84 -0.51 1.11 3.08 -0.96 0.14 114.38 118.04 1qkk h ARG 68 Ca 0.05 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1qkk h ARG 68 Cb 0.12 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1qkk h ARG 68 CO -0.11 0.56 -0.07 0.87 -1.07 0.00 0.00 179.97 180.15 1qkk h LYS 69 N 0.87 0.95 -0.51 0.04 1.79 -0.84 -2.59 116.57 116.27 1qkk h LYS 69 Ca 0.28 -0.34 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 1qkk h LYS 69 Cb 0.06 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1qkk h LYS 69 CO -0.08 1.00 -0.17 0.82 -1.08 0.00 0.00 179.45 179.94 1qkk h ILE 70 N 0.81 1.27 -1.00 1.86 2.04 -0.22 -2.51 117.51 119.76 1qkk h ILE 70 Ca 0.14 -1.33 0.09 0.00 1.00 0.00 0.00 64.86 64.76 1qkk h ILE 70 Cb 0.62 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 1qkk h ILE 70 CO 0.04 0.46 0.64 0.25 0.00 0.00 0.00 178.15 179.55 1qkk h LEU 71 N 0.87 0.99 -0.64 1.44 5.85 -0.61 0.51 115.31 123.72 1qkk h LEU 71 Ca 0.12 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 1qkk h LEU 71 Cb 0.74 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1qkk h LEU 71 CO 0.06 0.59 -0.38 0.00 -0.34 0.00 0.00 178.44 178.37 1qkk h ALA 72 N 1.49 0.82 -0.12 1.25 0.00 -1.22 -2.99 119.26 118.50 1qkk h ALA 72 Ca 0.46 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1qkk h ALA 72 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qkk h ALA 72 CO -0.21 0.65 -0.17 -0.07 0.00 0.00 0.00 179.25 179.45 1qkk h LEU 73 N 0.53 0.35 -6.00 0.00 3.38 -0.83 -3.45 115.31 109.29 1qkk h LEU 73 Ca 0.05 -0.52 0.16 0.00 0.09 0.00 0.00 57.88 57.65 1qkk h LEU 73 Cb 0.89 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.34 1qkk h LEU 73 CO 0.08 0.80 -0.10 -0.62 0.09 0.00 0.00 178.44 178.69 1qkk s ASP 74 N -6.14 -0.89 0.45 -0.43 -1.08 0.06 -4.53 116.67 104.10 1qkk s ASP 74 Ca -0.14 0.34 0.30 0.00 -0.52 0.00 0.00 52.55 52.53 1qkk s ASP 74 Cb 0.04 1.66 1.62 0.00 -1.46 0.00 0.00 42.92 44.78 1qkk s ASP 74 CO 0.75 -0.17 1.92 1.55 0.52 0.00 0.00 175.17 179.74 1qkk h PRO 75 N 7.82 0.00 -0.64 4.34 0.13 -1.69 -1.68 132.00 140.27 1qkk h PRO 75 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1qkk h PRO 75 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1qkk h PRO 75 CO 0.03 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.55 1qkk n ASP 76 N -2.56 4.13 -4.40 1.44 8.00 -1.26 -4.72 116.55 117.18 1qkk n ASP 76 Ca -0.02 -2.33 -0.44 0.00 0.71 0.00 0.00 54.79 52.71 1qkk n ASP 76 Cb 0.06 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 1qkk n ASP 76 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1qkk s LEU 77 N -1.56 5.38 0.21 0.64 0.20 -0.63 -4.72 118.68 118.19 1qkk s LEU 77 Ca 0.45 -1.25 -0.32 0.00 0.69 0.00 0.00 54.13 53.69 1qkk s LEU 77 Cb 0.28 -2.32 -0.13 0.00 -0.43 0.00 0.00 46.19 43.59 1qkk s LEU 77 CO 0.23 -0.89 1.65 -2.65 -0.29 0.00 0.00 176.35 174.40 1qkk n PRO 78 N 5.89 2.56 -4.67 0.98 -0.02 -1.26 -4.90 135.00 133.58 1qkk n PRO 78 Ca -0.10 0.92 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 1qkk n PRO 78 Cb 0.44 -2.73 -0.16 0.00 -0.02 0.00 0.00 33.50 31.02 1qkk n PRO 78 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1qkk s MET 79 N 0.78 3.07 -0.18 -0.52 1.75 -1.26 -1.26 119.30 121.69 1qkk s MET 79 Ca 0.74 -0.83 -0.03 0.00 -1.25 0.00 0.00 55.69 54.32 1qkk s MET 79 Cb -0.56 -2.48 -0.02 0.00 2.84 0.00 0.00 34.83 34.62 1qkk s MET 79 CO 0.37 0.01 -0.05 0.42 -0.65 0.00 0.00 175.02 175.12 1qkk s ILE 80 N 0.79 3.59 -0.14 10.11 1.01 0.45 -1.20 121.20 135.82 1qkk s ILE 80 Ca -0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 1qkk s ILE 80 Cb -0.16 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1qkk s ILE 80 CO -0.01 0.46 0.32 -0.76 0.00 0.00 0.00 174.94 174.95 1qkk s LEU 81 N 0.85 4.28 -0.22 2.97 1.43 -0.60 -1.13 118.68 126.25 1qkk s LEU 81 Ca -0.01 0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.56 1qkk s LEU 81 Cb -0.15 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 1qkk s LEU 81 CO 0.01 0.13 0.24 -0.69 0.23 0.00 0.00 176.35 176.27 1qkk s VAL 82 N 0.22 5.31 0.03 -1.59 1.01 0.55 -0.46 120.40 125.48 1qkk s VAL 82 Ca 0.18 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1qkk s VAL 82 Cb -0.14 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1qkk s VAL 82 CO 0.06 0.32 -0.04 0.28 0.00 0.00 0.00 175.10 175.72 1qkk s THR 83 N 1.09 0.22 0.67 3.92 -1.32 -0.35 -0.85 115.64 119.02 1qkk s THR 83 Ca 0.11 -1.19 -0.10 0.00 -1.21 0.00 0.00 61.69 59.30 1qkk s THR 83 Cb -0.14 -0.67 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 1qkk s THR 83 CO 0.05 -0.62 1.04 -0.83 -2.21 0.00 0.00 174.62 172.05 1qkk s GLY 84 N -1.90 1.62 0.26 6.08 0.00 -1.26 -0.21 107.32 111.92 1qkk s GLY 84 Ca -0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.19 1qkk s GLY 84 CO -0.03 -0.08 1.82 0.45 0.00 0.00 0.00 173.10 175.25 1qkk h HIS 85 N -0.49 0.96 -0.38 1.90 -0.00 -1.97 -2.30 115.15 112.86 1qkk h HIS 85 Ca -0.45 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.04 1qkk h HIS 85 Cb 1.25 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.34 1qkk h HIS 85 CO 0.50 0.39 0.27 0.78 -0.00 0.00 0.00 177.93 179.87 1qkk h GLY 86 N 0.87 0.17 -2.07 2.45 0.00 -1.96 -2.38 103.07 100.15 1qkk h GLY 86 Ca 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1qkk h GLY 86 CO -0.25 0.04 0.00 1.22 0.00 0.00 0.00 176.54 177.54 1qkk n ASP 87 N -4.46 3.15 -0.25 0.19 8.00 -0.87 -4.53 116.55 117.79 1qkk n ASP 87 Ca 0.06 -1.95 0.04 0.00 0.71 0.00 0.00 54.79 53.65 1qkk n ASP 87 Cb 0.36 -0.26 0.17 0.00 -0.02 0.00 0.00 41.12 41.37 1qkk n ASP 87 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1qkk h ILE 88 N 3.94 0.69 -0.82 0.53 2.04 -1.38 -0.65 117.51 121.87 1qkk h ILE 88 Ca 0.00 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.80 1qkk h ILE 88 Cb 0.88 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1qkk h ILE 88 CO 0.00 0.08 0.53 -0.65 0.00 0.00 0.00 178.15 178.12 1qkk h PRO 89 N 0.46 0.74 -0.30 2.37 0.11 -1.82 0.17 132.00 133.73 1qkk h PRO 89 Ca 0.40 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.34 1qkk h PRO 89 Cb 0.57 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1qkk h PRO 89 CO -0.38 0.49 -0.33 0.52 -0.21 0.00 0.00 178.00 178.10 1qkk h MET 90 N 0.76 0.64 -0.42 1.05 2.86 -1.47 -1.97 114.93 116.39 1qkk h MET 90 Ca 0.38 -0.29 -0.15 0.00 -2.06 0.00 0.00 59.70 57.58 1qkk h MET 90 Cb 0.44 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1qkk h MET 90 CO -0.15 0.88 -0.31 0.00 1.06 0.00 0.00 176.91 178.39 1qkk h ALA 91 N 1.09 0.65 -0.76 6.32 0.00 -0.31 -1.19 119.26 125.07 1qkk h ALA 91 Ca 0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1qkk h ALA 91 Cb 0.82 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1qkk h ALA 91 CO 0.07 0.67 0.32 0.28 0.00 0.00 0.00 179.25 180.60 1qkk h VAL 92 N 0.78 1.25 -0.44 0.00 2.07 -0.61 -1.04 116.25 118.26 1qkk h VAL 92 Ca 0.08 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1qkk h VAL 92 Cb 0.89 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1qkk h VAL 92 CO 0.08 0.31 -0.11 -0.61 0.02 0.00 0.00 177.57 177.27 1qkk h GLN 93 N 1.08 0.80 -0.83 1.57 5.75 -1.19 -2.08 115.11 120.21 1qkk h GLN 93 Ca 0.25 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1qkk h GLN 93 Cb 0.18 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1qkk h GLN 93 CO -0.02 0.87 0.45 0.00 -2.65 0.00 0.00 178.83 177.47 1qkk h ALA 94 N 1.15 1.23 -0.58 3.38 0.00 -0.51 -0.15 119.26 123.79 1qkk h ALA 94 Ca 0.12 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1qkk h ALA 94 Cb 0.59 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1qkk h ALA 94 CO 0.04 0.62 0.09 0.82 0.00 0.00 0.00 179.25 180.82 1qkk h ILE 95 N 1.16 1.26 -0.01 0.00 2.04 -0.84 0.19 117.51 121.32 1qkk h ILE 95 Ca 0.29 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1qkk h ILE 95 Cb 0.04 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1qkk h ILE 95 CO -0.05 0.36 -0.10 1.56 0.00 0.00 0.00 178.15 179.93 1qkk h GLN 96 N 0.87 0.01 -0.00 2.37 4.20 -0.69 -1.26 115.11 120.60 1qkk h GLN 96 Ca 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1qkk h GLN 96 Cb 0.42 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1qkk h GLN 96 CO 0.01 0.10 -0.11 -0.25 -0.67 0.00 0.00 178.83 177.91 1qkk n ASP 97 N -4.42 0.29 0.00 1.46 8.00 -0.13 -4.90 116.55 116.84 1qkk n ASP 97 Ca -0.03 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1qkk n ASP 97 Cb 0.17 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1qkk n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qkk n GLY 98 N 1.35 1.15 3.75 0.44 0.00 -0.48 -5.06 105.19 106.34 1qkk n GLY 98 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1qkk n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkk s ALA 99 N -0.99 2.50 -0.05 4.61 0.00 -0.08 -4.90 121.76 122.86 1qkk s ALA 99 Ca 0.00 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 1qkk s ALA 99 Cb 0.00 -3.47 -0.21 0.00 0.00 0.00 0.00 23.12 19.44 1qkk s ALA 99 CO 0.00 -1.26 1.13 -0.92 0.00 0.00 0.00 175.76 174.71 1qkk h TYR 100 N 0.77 -0.02 -2.46 0.00 3.20 -1.49 -3.39 116.97 113.57 1qkk h TYR 100 Ca -0.50 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.50 1qkk h TYR 100 Cb 1.30 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 1qkk h TYR 100 CO 0.46 0.56 0.51 -3.47 -1.64 0.00 0.00 178.16 174.58 1qkk n ASP 101 N -4.82 -1.56 -3.94 -2.11 -0.08 -1.20 -5.02 116.55 97.82 1qkk n ASP 101 Ca -0.09 -1.83 -0.09 0.00 -1.51 0.00 0.00 54.79 51.27 1qkk n ASP 101 Cb 0.30 2.54 -0.09 0.00 2.34 0.00 0.00 41.12 46.20 1qkk n ASP 101 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1qkk s PHE 102 N -2.57 0.22 -0.08 -0.67 -0.12 -1.26 -1.56 117.98 111.94 1qkk s PHE 102 Ca 0.20 -0.56 0.01 0.00 -0.05 0.00 0.00 56.93 56.54 1qkk s PHE 102 Cb -0.03 -0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.22 1qkk s PHE 102 CO 0.05 -0.38 -0.11 0.42 -0.05 0.00 0.00 175.22 175.16 1qkk s ILE 103 N -2.78 1.08 0.07 -4.49 1.01 0.39 -4.91 121.20 111.57 1qkk s ILE 103 Ca -0.03 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 1qkk s ILE 103 Cb -0.00 -1.02 -0.07 0.00 0.01 0.00 0.00 42.46 41.38 1qkk s ILE 103 CO -0.05 0.35 0.57 0.00 0.00 0.00 0.00 174.94 175.81 1qkk s ALA 104 N 0.95 3.59 0.02 9.38 0.00 -1.26 -1.21 121.76 133.23 1qkk s ALA 104 Ca -0.09 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 1qkk s ALA 104 Cb -0.15 -2.63 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 1qkk s ALA 104 CO 0.00 0.40 0.50 0.15 0.00 0.00 0.00 175.76 176.81 1qkk s LYS 105 N -1.11 4.11 0.34 0.00 1.02 0.71 -3.34 119.74 121.47 1qkk s LYS 105 Ca 0.29 0.58 -0.23 0.00 0.02 0.00 0.00 55.97 56.63 1qkk s LYS 105 Cb -0.19 -3.26 -0.10 0.00 -0.52 0.00 0.00 37.83 33.76 1qkk s LYS 105 CO 0.19 0.60 0.90 -1.25 -0.92 0.00 0.00 175.35 174.87 1qkk s PRO 106 N -0.87 4.41 0.12 -1.68 0.04 -1.26 -4.15 135.00 131.61 1qkk s PRO 106 Ca 0.27 1.17 0.06 0.00 0.04 0.00 0.00 61.00 62.53 1qkk s PRO 106 Cb -0.18 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1qkk s PRO 106 CO 0.16 0.20 -0.14 -0.59 0.04 0.00 0.00 177.00 176.67 1qkk s PHE 107 N -1.78 1.38 0.34 0.56 -0.12 -1.21 -5.14 117.98 112.00 1qkk s PHE 107 Ca 0.53 -0.57 -0.16 0.00 -0.05 0.00 0.00 56.93 56.67 1qkk s PHE 107 Cb -0.15 -0.72 -0.09 0.00 -0.63 0.00 0.00 43.02 41.42 1qkk s PHE 107 CO 0.20 0.14 0.78 0.00 -0.05 0.00 0.00 175.22 176.29 1qkk s ALA 108 N -2.23 3.28 0.21 1.99 0.00 -1.26 -4.97 121.76 118.77 1qkk s ALA 108 Ca 0.09 0.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 1qkk s ALA 108 Cb -0.04 -2.85 0.28 0.00 0.00 0.00 0.00 23.12 20.51 1qkk s ALA 108 CO 0.03 0.29 1.75 0.00 0.00 0.00 0.00 175.76 177.83 1qkk h ALA 109 N 2.28 0.80 0.00 0.00 0.00 -2.00 -1.39 119.26 118.95 1qkk h ALA 109 Ca -0.48 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1qkk h ALA 109 Cb 1.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1qkk h ALA 109 CO 0.65 -0.17 -0.17 0.38 0.00 0.00 0.00 179.25 179.93 1qkk h ASP 110 N 0.43 0.00 0.15 0.00 3.04 -1.99 -2.02 116.42 116.04 1qkk h ASP 110 Ca 0.31 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.86 1qkk h ASP 110 Cb 0.36 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.66 1qkk h ASP 110 CO -0.29 0.17 -0.94 0.03 -2.04 0.00 0.00 179.24 176.17 1qkk h ARG 111 N 0.00 0.56 -0.84 4.15 2.47 -1.67 -1.78 114.38 117.27 1qkk h ARG 111 Ca -0.00 -0.58 -0.03 0.00 -1.26 0.00 0.00 59.98 58.12 1qkk h ARG 111 Cb 0.40 0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 1qkk h ARG 111 CO 0.02 1.20 0.43 1.25 0.56 0.00 0.00 179.97 183.43 1qkk h LEU 112 N 0.33 1.08 -0.39 3.04 5.85 -0.97 -2.00 115.31 122.25 1qkk h LEU 112 Ca -0.09 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1qkk h LEU 112 Cb 1.58 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1qkk h LEU 112 CO 0.18 0.90 0.10 0.58 -0.34 0.00 0.00 178.44 179.85 1qkk h VAL 113 N 1.19 1.22 -0.37 1.05 2.07 -1.25 -1.26 116.25 118.90 1qkk h VAL 113 Ca 0.29 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1qkk h VAL 113 Cb 0.08 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1qkk h VAL 113 CO -0.04 0.26 -0.11 1.56 0.02 0.00 0.00 177.57 179.27 1qkk h GLN 114 N 0.49 0.65 -0.22 1.57 4.20 -1.08 0.12 115.11 120.84 1qkk h GLN 114 Ca 0.12 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1qkk h GLN 114 Cb 0.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1qkk h GLN 114 CO 0.00 0.74 -0.09 1.03 -0.67 0.00 0.00 178.83 179.84 1qkk h SER 115 N 0.59 0.46 -0.79 1.46 0.87 -1.23 -2.51 113.55 112.40 1qkk h SER 115 Ca 0.11 -0.40 -0.04 0.00 -1.23 0.00 0.00 61.79 60.22 1qkk h SER 115 Cb 0.53 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1qkk h SER 115 CO 0.03 0.75 0.32 0.00 -0.53 0.00 0.00 176.83 177.41 1qkk h ALA 116 N 0.72 1.02 -0.46 6.23 0.00 -1.02 -2.57 119.26 123.19 1qkk h ALA 116 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1qkk h ALA 116 Cb 0.57 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1qkk h ALA 116 CO 0.03 0.65 0.08 0.00 0.00 0.00 0.00 179.25 180.00 1qkk h ARG 117 N 1.14 0.71 -0.51 0.00 3.08 -0.90 0.60 114.38 118.50 1qkk h ARG 117 Ca 0.26 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1qkk h ARG 117 Cb 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1qkk h ARG 117 CO -0.02 0.67 -0.07 0.00 -1.07 0.00 0.00 179.97 179.48 1qkk h ARG 118 N 0.68 0.95 -0.50 0.04 3.08 -1.18 -1.16 114.38 116.29 1qkk h ARG 118 Ca 0.15 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 1qkk h ARG 118 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1qkk h ARG 118 CO 0.00 1.00 -0.09 0.00 -1.07 0.00 0.00 179.97 179.82 1qkk h ALA 119 N 0.92 0.69 -0.61 0.04 0.00 -1.06 -2.02 119.26 117.21 1qkk h ALA 119 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1qkk h ALA 119 Cb 0.62 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1qkk h ALA 119 CO 0.04 0.58 0.16 1.49 0.00 0.00 0.00 179.25 181.51 1qkk h GLU 120 N 0.81 0.94 -0.39 0.00 4.22 -0.78 -1.68 114.58 117.69 1qkk h GLU 120 Ca 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1qkk h GLU 120 Cb 0.64 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1qkk h GLU 120 CO 0.04 0.83 0.21 1.49 -2.18 0.00 0.00 179.01 179.41 1qkk h GLU 121 N 0.91 0.54 -0.22 1.92 4.81 -0.94 0.18 114.58 121.77 1qkk h GLU 121 Ca 0.20 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1qkk h GLU 121 Cb 0.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1qkk h GLU 121 CO -0.00 0.44 0.14 -0.22 -0.73 0.00 0.00 179.01 178.64 1qkk h LYS 122 N 0.50 0.29 -0.80 1.92 3.64 -0.99 -1.22 116.57 119.91 1qkk h LYS 122 Ca 0.14 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1qkk h LYS 122 Cb 0.06 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1qkk h LYS 122 CO -0.02 0.20 0.41 -0.09 -2.27 0.00 0.00 179.45 177.68 1qkk h ARG 123 N 0.29 1.14 -0.60 1.90 9.65 -0.96 -0.13 114.38 125.68 1qkk h ARG 123 Ca 0.08 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1qkk h ARG 123 Cb -0.02 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.31 1qkk h ARG 123 CO -0.02 0.87 0.37 -0.09 2.80 0.00 0.00 179.97 183.90 1qkk h ARG 124 N 1.13 0.81 -0.56 0.20 2.43 -0.38 -0.28 114.38 117.72 1qkk h ARG 124 Ca 0.28 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1qkk h ARG 124 Cb 0.08 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1qkk h ARG 124 CO -0.04 0.57 0.05 -0.07 -1.51 0.00 0.00 179.97 178.97 1qkk h LEU 125 N 0.81 0.93 -0.45 3.80 3.38 -0.81 -0.86 115.31 122.11 1qkk h LEU 125 Ca 0.22 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1qkk h LEU 125 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1qkk h LEU 125 CO -0.04 0.98 0.17 0.58 0.09 0.00 0.00 178.44 180.22 1qkk h VAL 126 N 0.85 1.21 -0.22 1.22 2.07 -0.66 0.15 116.25 120.87 1qkk h VAL 126 Ca 0.17 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 1qkk h VAL 126 Cb 0.48 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1qkk h VAL 126 CO 0.02 0.25 -0.34 0.24 0.02 0.00 0.00 177.57 177.75 1qkk h MET 127 N 0.59 0.47 -0.55 1.57 2.86 -0.94 -1.29 114.93 117.65 1qkk h MET 127 Ca 0.15 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 1qkk h MET 127 Cb 0.22 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1qkk h MET 127 CO -0.01 0.75 -0.09 0.93 1.06 0.00 0.00 176.91 179.55 1qkk h GLU 128 N 0.40 1.03 -0.40 1.72 5.08 -0.90 -0.52 114.58 120.99 1qkk h GLU 128 Ca 0.05 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1qkk h GLU 128 Cb 0.79 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1qkk h GLU 128 CO 0.06 1.06 0.21 -0.97 -1.00 0.00 0.00 179.01 178.38 1qkk h ASN 129 N 0.91 0.51 -0.68 1.42 -0.73 -0.67 -0.65 115.58 115.69 1qkk h ASN 129 Ca 0.14 -0.10 -0.07 0.00 1.87 0.00 0.00 56.30 58.14 1qkk h ASN 129 Cb 0.66 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 1qkk h ASN 129 CO 0.05 0.46 0.14 0.03 -0.37 0.00 0.00 177.43 177.73 1qkk h ARG 130 N 0.51 1.10 -0.76 6.67 3.08 -1.07 -1.44 114.38 122.47 1qkk h ARG 130 Ca 0.14 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1qkk h ARG 130 Cb 0.07 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1qkk h ARG 130 CO -0.02 0.99 0.36 1.03 -1.07 0.00 0.00 179.97 181.27 1qkk h SER 131 N 1.03 0.99 -0.51 7.04 0.87 -0.79 -0.43 113.55 121.74 1qkk h SER 131 Ca 0.21 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 1qkk h SER 131 Cb 0.41 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1qkk h SER 131 CO 0.01 0.85 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.02 1qkk h LEU 132 N 1.07 0.94 -0.80 2.23 3.38 -0.84 -2.03 115.31 119.27 1qkk h LEU 132 Ca 0.26 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1qkk h LEU 132 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1qkk h LEU 132 CO -0.03 1.06 -0.13 0.03 0.09 0.00 0.00 178.44 179.46 1qkk h ARG 133 N 0.81 0.77 -0.37 1.13 3.08 -0.97 -1.27 114.38 117.55 1qkk h ARG 133 Ca 0.14 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1qkk h ARG 133 Cb 0.62 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1qkk h ARG 133 CO 0.04 0.86 0.22 0.00 -1.07 0.00 0.00 179.97 180.02 1qkk h ARG 134 N 0.69 0.50 -0.83 0.04 -0.00 -0.91 -1.68 114.38 112.19 1qkk h ARG 134 Ca 0.11 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.98 59.51 1qkk h ARG 134 Cb 0.61 -0.10 -0.04 0.00 0.00 0.00 0.00 29.97 30.44 1qkk h ARG 134 CO 0.04 0.39 0.37 0.00 0.00 0.00 0.00 179.97 180.77 1qkk h ALA 135 N 1.09 1.08 -0.46 0.04 0.00 -1.09 -0.07 119.26 119.84 1qkk h ALA 135 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1qkk h ALA 135 Cb 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1qkk h ALA 135 CO -0.02 0.67 0.15 0.00 0.00 0.00 0.00 179.25 180.05 1qkk h ALA 136 N 1.20 0.60 -0.30 0.00 0.00 -0.94 -0.51 119.26 119.31 1qkk h ALA 136 Ca 0.28 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1qkk h ALA 136 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qkk h ALA 136 CO -0.03 0.25 -0.34 0.93 0.00 0.00 0.00 179.25 180.06 1qkk h GLU 137 N 0.61 0.67 -0.67 0.00 5.08 -1.09 0.14 114.58 119.32 1qkk h GLU 137 Ca 0.15 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1qkk h GLU 137 Cb 0.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1qkk h GLU 137 CO -0.01 0.91 0.16 0.00 -1.00 0.00 0.00 179.01 179.07 1qkk h ALA 138 N 1.06 0.88 -0.25 3.43 0.00 -0.77 0.20 119.26 123.81 1qkk h ALA 138 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1qkk h ALA 138 Cb 0.85 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1qkk h ALA 138 CO 0.07 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.66 1qkk h ALA 139 N 1.06 0.37 -0.82 0.00 0.00 -0.91 -2.13 119.26 116.83 1qkk h ALA 139 Ca 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1qkk h ALA 139 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1qkk h ALA 139 CO 0.00 0.37 0.49 1.03 0.00 0.00 0.00 179.25 181.14 1qkk h SER 140 N 0.34 0.99 -0.44 0.00 0.87 -0.75 -1.82 113.55 112.75 1qkk h SER 140 Ca 0.04 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 1qkk h SER 140 Cb 0.83 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1qkk h SER 140 CO 0.06 0.77 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.59 1qkk h GLU 141 N 1.13 0.92 -0.90 2.24 5.08 -0.93 -0.43 114.58 121.68 1qkk h GLU 141 Ca 0.29 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1qkk h GLU 141 Cb -0.04 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1qkk h GLU 141 CO -0.05 1.06 0.58 0.78 -1.00 0.00 0.00 179.01 180.37 1qkk h GLY 142 N 0.75 1.28 0.27 -3.84 0.00 -1.06 -3.21 103.07 97.26 1qkk h GLY 142 Ca 0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1qkk h GLY 142 CO 0.06 0.49 -0.10 1.41 0.00 0.00 0.00 176.54 178.40 1qkk h LEU 143 N 1.23 -0.23 0.00 3.11 3.38 -1.23 -3.51 115.31 118.05 1qkk h LEU 143 Ca 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qkk h LEU 143 Cb -0.11 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1qkk h LEU 143 CO -0.07 0.29 0.00 1.17 0.09 0.00 0.00 178.44 179.92