#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgt h VAL 2 N 0.00 1.03 -3.57 3.17 -1.51 -2.07 -3.44 116.25 109.86 2kgt h VAL 2 Ca 0.00 -2.61 -0.66 0.00 -1.23 0.00 0.00 66.70 62.20 2kgt h VAL 2 Cb 0.00 2.46 -0.25 0.00 -2.13 0.00 0.00 31.29 31.37 2kgt h VAL 2 CO 0.00 0.58 -0.65 -0.44 -1.23 0.00 0.00 177.57 175.84 2kgt s SER 3 N -6.31 4.93 0.12 4.19 0.01 -1.26 -4.98 113.70 110.40 2kgt s SER 3 Ca -0.00 -0.42 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 2kgt s SER 3 Cb 0.09 -1.86 -0.09 0.00 0.21 0.00 0.00 66.02 64.36 2kgt s SER 3 CO 0.80 -0.08 1.40 0.03 0.41 0.00 0.00 173.24 175.79 2kgt h ARG 4 N 8.21 0.84 -1.14 12.44 3.08 -1.90 -3.43 114.38 132.47 2kgt h ARG 4 Ca -0.37 -0.53 0.04 0.00 0.07 0.00 0.00 59.98 59.20 2kgt h ARG 4 Cb 1.16 0.06 -0.22 0.00 0.08 0.00 0.00 29.97 31.04 2kgt h ARG 4 CO 0.59 1.16 -0.33 0.34 -1.07 0.00 0.00 179.97 180.67 2kgt s ASP 5 N -6.87 -1.16 0.06 7.04 2.15 -1.26 -4.74 116.67 111.88 2kgt s ASP 5 Ca -0.11 0.63 0.18 0.00 0.43 0.00 0.00 52.55 53.68 2kgt s ASP 5 Cb 0.10 1.97 -0.14 0.00 -0.30 0.00 0.00 42.92 44.55 2kgt s ASP 5 CO 0.88 -0.28 0.79 1.67 -0.17 0.00 0.00 175.17 178.06 2kgt n GLN 6 N 5.42 0.62 0.24 4.34 7.27 -1.26 -3.98 117.38 130.03 2kgt n GLN 6 Ca -0.00 0.18 0.08 0.00 0.07 0.00 0.00 57.00 57.33 2kgt n GLN 6 Cb 0.51 -1.78 0.59 0.00 2.41 0.00 0.00 30.24 31.98 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kgt h ALA 7 N 1.48 1.50 -3.25 1.69 0.00 -2.00 -3.40 119.26 115.29 2kgt h ALA 7 Ca -0.16 -0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.06 2kgt h ALA 7 Cb 1.54 -0.03 -0.37 0.00 0.00 0.00 0.00 17.79 18.93 2kgt h ALA 7 CO 0.04 0.21 -0.80 -1.01 0.00 0.00 0.00 179.25 177.69 2kgt s HIS 8 N -4.43 1.58 -0.37 0.00 3.76 -1.26 -5.04 115.29 109.54 2kgt s HIS 8 Ca -0.03 -0.90 -0.09 0.00 -0.15 0.00 0.00 55.06 53.88 2kgt s HIS 8 Cb 0.15 -1.27 0.04 0.00 1.11 0.00 0.00 32.58 32.60 2kgt s HIS 8 CO 0.65 -0.56 0.17 -0.51 -0.85 0.00 0.00 174.74 173.64 2kgt s LEU 9 N 1.67 4.62 0.00 0.89 1.02 -1.26 -4.81 118.68 120.81 2kgt s LEU 9 Ca 0.03 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.08 2kgt s LEU 9 Cb -0.14 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.11 2kgt s LEU 9 CO -0.08 -0.38 0.00 0.61 0.02 0.00 0.00 176.35 176.52 2kgt n GLY 10 N 4.92 2.68 0.30 -3.19 0.00 -1.26 -5.12 105.19 103.53 2kgt n GLY 10 Ca -0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 2kgt n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kgt n PRO 11 N -1.03 -1.21 -1.91 1.61 -0.04 -1.26 -5.04 135.00 126.12 2kgt n PRO 11 Ca 0.00 -0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 2kgt n PRO 11 Cb 0.00 -0.14 0.06 0.00 -0.04 0.00 0.00 33.50 33.38 2kgt n PRO 11 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kgt s LYS 12 N -3.21 2.56 -0.04 0.54 3.01 -1.26 -4.88 119.74 116.46 2kgt s LYS 12 Ca 0.06 0.32 0.04 0.00 -1.01 0.00 0.00 55.97 55.39 2kgt s LYS 12 Cb -0.01 -2.01 -0.00 0.00 -1.01 0.00 0.00 37.83 34.80 2kgt s LYS 12 CO 0.05 -1.21 -0.16 0.71 0.51 0.00 0.00 175.35 175.25 2kgt s TYR 13 N -3.42 1.54 0.06 3.18 2.02 -0.53 -4.04 117.35 116.16 2kgt s TYR 13 Ca 0.59 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.85 2kgt s TYR 13 Cb -0.11 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 2kgt s TYR 13 CO 0.51 -0.13 0.04 0.54 -1.57 0.00 0.00 175.55 174.94 2kgt s VAL 14 N 0.00 0.19 0.00 0.71 0.11 -1.25 -1.61 120.40 118.55 2kgt s VAL 14 Ca -0.02 -1.54 0.00 0.00 -2.93 0.00 0.00 61.98 57.49 2kgt s VAL 14 Cb -0.10 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 2kgt s VAL 14 CO 0.01 -0.85 0.00 0.61 -3.33 0.00 0.00 175.10 171.54 2kgt n GLY 15 N 0.17 -0.14 2.13 6.54 0.00 -1.26 -2.97 105.19 109.66 2kgt n GLY 15 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 2kgt n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kgt n LEU 16 N 0.00 5.64 -4.50 0.99 7.99 -1.26 -4.61 117.00 121.26 2kgt n LEU 16 Ca 0.00 -3.42 -0.47 0.00 -0.01 0.00 0.00 56.01 52.11 2kgt n LEU 16 Cb 0.00 -1.34 -0.06 0.00 -0.11 0.00 0.00 43.42 41.91 2kgt n LEU 16 CO 0.00 1.67 1.85 -2.67 -1.51 0.00 0.00 177.39 176.73 2kgt n TRP 17 N 1.93 1.66 -3.26 -1.77 2.14 -1.26 -3.02 117.44 113.86 2kgt n TRP 17 Ca 0.43 0.15 -0.21 0.00 2.07 0.00 0.00 57.50 59.94 2kgt n TRP 17 Cb 0.79 -2.59 0.02 0.00 -0.81 0.00 0.00 31.31 28.71 2kgt n TRP 17 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 2kgt n ASP 18 N 10.83 -6.58 -3.66 -0.67 2.03 -1.26 -4.83 116.55 112.41 2kgt n ASP 18 Ca 0.39 -0.02 -0.17 0.00 0.52 0.00 0.00 54.79 55.51 2kgt n ASP 18 Cb 0.31 -3.46 -0.15 0.00 -0.72 0.00 0.00 41.12 37.09 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kgt s PHE 19 N -2.29 -0.20 -0.27 -0.67 5.36 -1.17 -5.00 117.98 113.75 2kgt s PHE 19 Ca 0.23 0.62 -0.02 0.00 -0.96 0.00 0.00 56.93 56.80 2kgt s PHE 19 Cb -0.04 -0.25 0.09 0.00 -0.34 0.00 0.00 43.02 42.48 2kgt s PHE 19 CO 0.83 -0.30 0.07 0.15 -1.46 0.00 0.00 175.22 174.51 2kgt s LYS 20 N 2.31 0.68 0.62 10.12 -0.14 -1.26 -2.02 119.74 130.04 2kgt s LYS 20 Ca 0.03 -0.80 -0.02 0.00 -1.36 0.00 0.00 55.97 53.81 2kgt s LYS 20 Cb -0.12 -1.96 0.13 0.00 -1.68 0.00 0.00 37.83 34.19 2kgt s LYS 20 CO -0.06 -0.86 0.85 0.43 -0.76 0.00 0.00 175.35 174.94 2kgt n SER 21 N 4.95 0.92 -0.34 2.83 7.64 -1.19 -4.98 113.62 123.44 2kgt n SER 21 Ca -0.05 -1.82 0.04 0.00 1.01 0.00 0.00 58.87 58.05 2kgt n SER 21 Cb 0.44 -0.57 0.06 0.00 -1.01 0.00 0.00 64.21 63.13 2kgt n SER 21 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kgt n ARG 22 N -2.61 0.53 -3.85 1.43 5.12 -1.26 -4.73 116.66 111.28 2kgt n ARG 22 Ca 0.13 -1.67 -0.09 0.00 -1.93 0.00 0.00 57.85 54.29 2kgt n ARG 22 Cb 0.47 -0.91 -0.08 0.00 -1.16 0.00 0.00 32.46 30.78 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2kgt s THR 23 N -1.20 0.13 0.55 0.55 -4.23 -1.26 -5.02 115.64 105.16 2kgt s THR 23 Ca 0.14 -1.06 0.42 0.00 -1.18 0.00 0.00 61.69 60.01 2kgt s THR 23 Cb 0.12 -1.16 0.42 0.00 1.34 0.00 0.00 72.50 73.22 2kgt s THR 23 CO 0.01 -0.58 2.29 -2.24 -0.54 0.00 0.00 174.62 173.55 2kgt h ASP 24 N 3.04 0.00 0.18 3.99 2.03 -1.98 -1.15 116.42 122.54 2kgt h ASP 24 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 2kgt h ASP 24 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2kgt h ASP 24 CO 0.53 0.00 0.00 1.05 -1.03 0.00 0.00 179.24 179.79 2kgt h GLU 25 N 0.00 0.00 -3.75 4.15 4.11 -1.90 -3.34 114.58 113.85 2kgt h GLU 25 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 2kgt h GLU 25 Cb 0.03 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.13 2kgt h GLU 25 CO 0.00 0.00 -0.41 -1.21 0.07 0.00 0.00 179.01 177.46 2kgt s GLU 26 N -3.82 0.76 0.34 1.06 2.02 -0.43 -3.60 118.70 115.03 2kgt s GLU 26 Ca -0.03 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.07 2kgt s GLU 26 Cb 0.10 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.59 2kgt s GLU 26 CO 0.35 -0.23 0.61 -0.51 0.02 0.00 0.00 175.26 175.51 2kgt s LEU 27 N -2.55 3.97 -0.62 1.80 1.02 -1.26 -4.53 118.68 116.51 2kgt s LEU 27 Ca 0.01 0.75 0.03 0.00 0.02 0.00 0.00 54.13 54.94 2kgt s LEU 27 Cb 0.03 -3.60 0.15 0.00 0.02 0.00 0.00 46.19 42.79 2kgt s LEU 27 CO -0.08 -0.29 0.40 -0.94 0.02 0.00 0.00 176.35 175.46 2kgt s SER 28 N -3.44 4.73 0.18 2.29 1.04 -1.26 -3.16 113.70 114.08 2kgt s SER 28 Ca 0.45 -3.30 -0.17 0.00 0.48 0.00 0.00 55.95 53.40 2kgt s SER 28 Cb -0.10 -1.69 0.03 0.00 0.10 0.00 0.00 66.02 64.35 2kgt s SER 28 CO 0.33 -0.20 0.48 -0.36 0.98 0.00 0.00 173.24 174.47 2kgt s PHE 29 N -0.70 -0.11 0.52 5.02 0.08 -0.86 -4.94 117.98 116.99 2kgt s PHE 29 Ca 0.20 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.04 2kgt s PHE 29 Cb -0.17 0.33 0.02 0.00 -0.57 0.00 0.00 43.02 42.63 2kgt s PHE 29 CO -0.06 -0.85 0.73 -0.98 -0.10 0.00 0.00 175.22 173.96 2kgt s ARG 30 N -3.86 2.69 0.82 0.44 1.70 -1.26 -3.16 118.95 116.31 2kgt s ARG 30 Ca 0.08 -0.75 -0.15 0.00 -0.47 0.00 0.00 55.73 54.45 2kgt s ARG 30 Cb 0.00 -2.53 -0.02 0.00 -0.57 0.00 0.00 34.95 31.83 2kgt s ARG 30 CO -0.05 -0.57 0.37 0.00 -1.08 0.00 0.00 175.30 173.97 2kgt n ALA 31 N -2.24 -2.23 0.00 7.88 0.00 -1.21 -2.78 120.51 119.92 2kgt n ALA 31 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2kgt n ALA 31 Cb 0.59 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2kgt n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kgt n GLY 32 N 1.74 3.06 3.74 0.00 0.00 -1.26 -4.95 105.19 107.53 2kgt n GLY 32 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2kgt n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kgt s ASP 33 N -0.15 6.68 0.14 1.61 1.01 -1.12 -5.02 116.67 119.83 2kgt s ASP 33 Ca 0.00 2.61 0.03 0.00 0.71 0.00 0.00 52.55 55.90 2kgt s ASP 33 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2kgt s ASP 33 CO 0.00 -0.70 0.24 0.68 0.21 0.00 0.00 175.17 175.60 2kgt s VAL 34 N 0.25 5.10 0.16 -1.27 -7.23 -1.26 -4.47 120.40 111.67 2kgt s VAL 34 Ca 0.61 -0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 59.94 2kgt s VAL 34 Cb -0.41 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 32.91 2kgt s VAL 34 CO 0.40 -0.07 0.24 -0.36 -0.31 0.00 0.00 175.10 175.00 2kgt s PHE 35 N -1.72 0.47 -0.08 2.82 0.40 -0.63 -4.44 117.98 114.80 2kgt s PHE 35 Ca 0.33 -0.83 0.05 0.00 -0.60 0.00 0.00 56.93 55.88 2kgt s PHE 35 Cb -0.11 -0.13 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 2kgt s PHE 35 CO 0.27 -0.68 -0.24 -1.01 0.70 0.00 0.00 175.22 174.26 2kgt s HIS 36 N -3.98 2.51 -0.13 0.36 3.76 -0.26 -1.45 115.29 116.10 2kgt s HIS 36 Ca 0.18 -0.87 -0.28 0.00 -0.15 0.00 0.00 55.06 53.94 2kgt s HIS 36 Cb 0.04 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 2kgt s HIS 36 CO -0.00 -0.31 0.95 0.14 -0.85 0.00 0.00 174.74 174.67 2kgt s VAL 37 N 0.09 4.81 -0.11 -0.90 -7.23 -1.26 -1.51 120.40 114.29 2kgt s VAL 37 Ca -0.11 1.90 0.17 0.00 -1.81 0.00 0.00 61.98 62.13 2kgt s VAL 37 Cb -0.16 -4.25 -0.25 0.00 0.56 0.00 0.00 36.38 32.28 2kgt s VAL 37 CO 0.06 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.07 2kgt n ALA 38 N 5.14 2.04 -3.67 1.32 0.00 -0.86 -4.86 120.51 119.62 2kgt n ALA 38 Ca 0.07 -0.88 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 2kgt n ALA 38 Cb 0.49 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 2kgt n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kgt s ARG 39 N -2.81 0.31 -0.27 0.00 1.81 -1.26 -5.01 118.95 111.72 2kgt s ARG 39 Ca -0.08 0.92 -0.07 0.00 -1.72 0.00 0.00 55.73 54.77 2kgt s ARG 39 Cb 0.08 0.17 -0.01 0.00 -0.45 0.00 0.00 34.95 34.75 2kgt s ARG 39 CO 0.76 -0.23 0.08 -1.59 -0.68 0.00 0.00 175.30 173.64 2kgt s LYS 40 N 2.23 3.39 0.47 3.54 -2.85 -1.26 -1.62 119.74 123.64 2kgt s LYS 40 Ca -0.04 -0.66 0.07 0.00 -1.00 0.00 0.00 55.97 54.34 2kgt s LYS 40 Cb -0.11 -3.36 -0.01 0.00 -2.06 0.00 0.00 37.83 32.29 2kgt s LYS 40 CO -0.12 -0.32 0.32 -1.21 0.10 0.00 0.00 175.35 174.13 2kgt s GLU 41 N 1.57 2.33 0.20 1.78 8.01 -1.19 -5.01 118.70 126.38 2kgt s GLU 41 Ca 0.05 -1.83 0.23 0.00 0.01 0.00 0.00 54.97 53.43 2kgt s GLU 41 Cb -0.16 -2.14 0.91 0.00 -4.31 0.00 0.00 34.13 28.43 2kgt s GLU 41 CO 0.03 -0.34 1.71 -0.85 0.01 0.00 0.00 175.26 175.83 2kgt n GLU 42 N -1.53 0.17 0.00 1.61 0.28 -1.26 -4.29 120.64 115.62 2kgt n GLU 42 Ca -0.00 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 2kgt n GLU 42 Cb 0.64 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 31.72 2kgt n GLU 42 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2kgt n GLN 43 N -2.10 0.00 -4.28 3.44 1.13 -1.26 -5.10 117.38 109.20 2kgt n GLN 43 Ca 0.03 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.93 2kgt n GLN 43 Cb 0.28 -0.15 -0.10 0.00 0.11 0.00 0.00 30.24 30.37 2kgt n GLN 43 CO 0.00 0.00 0.00 1.67 -1.44 0.00 0.00 177.06 177.29 2kgt s TRP 44 N -0.53 1.46 0.15 1.08 -2.14 -1.26 -4.23 118.94 113.47 2kgt s TRP 44 Ca 0.00 -0.64 0.09 0.00 2.66 0.00 0.00 56.10 58.21 2kgt s TRP 44 Cb 0.00 -0.72 -0.04 0.00 -3.10 0.00 0.00 33.47 29.61 2kgt s TRP 44 CO 0.00 0.20 -0.15 1.67 -2.66 0.00 0.00 176.95 176.01 2kgt s TRP 45 N -2.87 2.56 -0.43 1.66 -2.14 -1.16 -3.15 118.94 113.41 2kgt s TRP 45 Ca 0.17 -0.25 -0.22 0.00 2.66 0.00 0.00 56.10 58.45 2kgt s TRP 45 Cb -0.01 -1.30 0.02 0.00 -3.10 0.00 0.00 33.47 29.09 2kgt s TRP 45 CO 0.03 0.46 0.74 -1.58 -2.66 0.00 0.00 176.95 173.95 2kgt s TRP 46 N -1.47 3.04 -0.08 1.66 0.52 -0.64 -1.07 118.94 120.90 2kgt s TRP 46 Ca 0.22 0.18 -0.08 0.00 0.02 0.00 0.00 56.10 56.44 2kgt s TRP 46 Cb -0.09 -3.52 -0.04 0.00 -1.15 0.00 0.00 33.47 28.66 2kgt s TRP 46 CO 0.13 -0.90 0.20 0.00 0.02 0.00 0.00 176.95 176.39 2kgt s ALA 47 N 3.12 3.85 -0.09 0.98 0.00 -0.95 -2.03 121.76 126.63 2kgt s ALA 47 Ca 0.28 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2kgt s ALA 47 Cb -0.13 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 20.97 2kgt s ALA 47 CO 0.20 0.60 -0.05 0.99 0.00 0.00 0.00 175.76 177.51 2kgt s THR 48 N -1.07 0.76 -0.36 0.00 2.01 -0.57 -0.23 115.64 116.18 2kgt s THR 48 Ca 0.18 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 2kgt s THR 48 Cb -0.13 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.57 2kgt s THR 48 CO 0.07 0.32 1.11 -0.22 -0.69 0.00 0.00 174.62 175.21 2kgt s LEU 49 N 1.78 3.85 0.17 4.42 0.20 -0.47 -1.11 118.68 127.53 2kgt s LEU 49 Ca 0.04 0.91 0.05 0.00 0.69 0.00 0.00 54.13 55.83 2kgt s LEU 49 Cb -0.12 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.05 2kgt s LEU 49 CO -0.07 -0.99 0.15 -0.76 -0.29 0.00 0.00 176.35 174.39 2kgt s LEU 50 N 3.91 3.82 1.13 -0.68 1.43 -1.26 -0.00 118.68 127.03 2kgt s LEU 50 Ca 0.47 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.25 2kgt s LEU 50 Cb -0.11 -2.42 0.27 0.00 0.03 0.00 0.00 46.19 43.95 2kgt s LEU 50 CO 0.20 0.06 1.24 -0.62 0.23 0.00 0.00 176.35 177.46 2kgt s ASP 51 N -3.16 1.62 0.62 2.29 2.15 -1.26 -4.79 116.67 114.13 2kgt s ASP 51 Ca 0.31 0.32 0.34 0.00 0.43 0.00 0.00 52.55 53.95 2kgt s ASP 51 Cb -0.10 -0.35 1.93 0.00 -0.30 0.00 0.00 42.92 44.10 2kgt s ASP 51 CO 0.24 -3.66 2.19 1.05 -0.17 0.00 0.00 175.17 174.82 2kgt h GLU 52 N -2.28 0.00 0.00 4.34 4.11 -2.01 0.23 114.58 118.97 2kgt h GLU 52 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kgt h GLU 52 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2kgt h GLU 52 CO 0.29 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.37 2kgt h ALA 53 N 1.83 1.00 0.00 1.06 0.00 -2.01 -3.47 119.26 117.67 2kgt h ALA 53 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kgt h ALA 53 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kgt h ALA 53 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2kgt n GLY 54 N 0.84 0.63 0.00 0.00 0.00 0.80 -4.89 105.19 102.57 2kgt n GLY 54 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2kgt n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgt n GLY 55 N -2.62 1.72 3.64 -0.02 0.00 -1.26 -4.72 105.19 101.92 2kgt n GLY 55 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2kgt n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgt s ALA 56 N -3.90 -2.12 0.01 4.61 0.00 -1.26 -4.75 121.76 114.36 2kgt s ALA 56 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2kgt s ALA 56 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.84 2kgt s ALA 56 CO 0.00 -0.29 0.00 0.28 0.00 0.00 0.00 175.76 175.75 2kgt n VAL 57 N 0.44 0.01 -4.46 0.00 0.31 1.00 -4.61 118.33 111.03 2kgt n VAL 57 Ca -0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 2kgt n VAL 57 Cb 0.58 -0.15 -0.10 0.00 -0.91 0.00 0.00 33.84 33.27 2kgt n VAL 57 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kgt s ALA 58 N -2.00 2.77 -0.05 3.52 0.00 -1.09 -4.98 121.76 119.92 2kgt s ALA 58 Ca 0.00 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.12 2kgt s ALA 58 Cb 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2kgt s ALA 58 CO 0.00 0.29 -0.06 -0.65 0.00 0.00 0.00 175.76 175.34 2kgt s GLN 59 N -3.47 1.03 -0.30 0.00 -0.21 -1.26 -1.37 119.66 114.09 2kgt s GLN 59 Ca 0.30 -0.17 -0.15 0.00 0.02 0.00 0.00 55.36 55.35 2kgt s GLN 59 Cb -0.05 -0.99 0.16 0.00 1.00 0.00 0.00 33.01 33.13 2kgt s GLN 59 CO 0.15 -0.07 0.99 0.20 -2.12 0.00 0.00 175.29 174.44 2kgt s GLY 60 N 0.91 -0.08 0.61 3.09 0.00 0.68 -4.79 107.32 107.74 2kgt s GLY 60 Ca -0.11 3.12 -0.16 0.00 0.00 0.00 0.00 44.72 47.57 2kgt s GLY 60 CO 0.01 2.93 1.08 -2.52 0.00 0.00 0.00 173.10 174.60 2kgt s TYR 61 N 1.90 2.81 0.03 1.90 -0.85 -1.24 -2.25 117.35 119.65 2kgt s TYR 61 Ca -0.06 1.53 0.01 0.00 -0.52 0.00 0.00 57.07 58.04 2kgt s TYR 61 Cb -0.05 -3.10 -0.02 0.00 0.38 0.00 0.00 41.96 39.17 2kgt s TYR 61 CO -0.16 -1.37 -0.06 0.14 -1.52 0.00 0.00 175.55 172.58 2kgt s VAL 62 N -2.31 0.36 0.61 -3.49 -7.23 -0.23 -4.12 120.40 104.00 2kgt s VAL 62 Ca 0.66 -0.84 -0.17 0.00 -1.81 0.00 0.00 61.98 59.83 2kgt s VAL 62 Cb -0.19 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 2kgt s VAL 62 CO 0.37 -0.32 1.12 -2.16 -0.31 0.00 0.00 175.10 173.80 2kgt s PRO 63 N -1.23 3.02 0.00 4.82 0.04 -1.26 -2.98 135.00 137.40 2kgt s PRO 63 Ca -0.09 1.47 0.19 0.00 0.04 0.00 0.00 61.00 62.61 2kgt s PRO 63 Cb -0.08 -1.97 0.84 0.00 0.04 0.00 0.00 34.50 33.33 2kgt s PRO 63 CO -0.00 -1.09 1.60 -2.39 0.04 0.00 0.00 177.00 175.16 2kgt n HIS 64 N -1.99 0.00 1.19 0.56 1.44 -1.26 -1.67 115.22 113.49 2kgt n HIS 64 Ca 0.11 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.92 2kgt n HIS 64 Cb 0.52 -0.45 0.37 0.00 0.12 0.00 0.00 29.99 30.54 2kgt n HIS 64 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2kgt n ASN 65 N -1.45 1.76 0.00 4.39 6.94 -1.26 -4.24 115.26 121.40 2kgt n ASN 65 Ca 0.06 -1.72 0.00 0.00 -0.02 0.00 0.00 54.58 52.90 2kgt n ASN 65 Cb 0.21 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 2kgt n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kgt n TYR 66 N 0.39 0.00 -3.47 -2.53 4.19 -0.94 -5.07 117.16 109.72 2kgt n TYR 66 Ca 0.16 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 61.00 2kgt n TYR 66 Cb 0.35 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.12 2kgt n TYR 66 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 2kgt s LEU 67 N -3.58 4.46 -0.13 2.98 1.98 -0.67 -4.38 118.68 119.34 2kgt s LEU 67 Ca 0.00 1.00 -0.08 0.00 -2.89 0.00 0.00 54.13 52.16 2kgt s LEU 67 Cb 0.00 -2.73 0.05 0.00 0.66 0.00 0.00 46.19 44.17 2kgt s LEU 67 CO 0.00 0.28 0.32 0.00 -1.89 0.00 0.00 176.35 175.07 2kgt s ALA 68 N -1.15 -0.80 0.31 5.97 0.00 -1.16 -4.69 121.76 120.24 2kgt s ALA 68 Ca 0.27 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 2kgt s ALA 68 Cb -0.17 -0.71 -0.12 0.00 0.00 0.00 0.00 23.12 22.12 2kgt s ALA 68 CO 0.15 -0.21 1.54 -0.85 0.00 0.00 0.00 175.76 176.40 2kgt n GLU 69 N 3.91 2.62 -1.37 0.00 0.28 -1.26 -3.90 120.64 120.92 2kgt n GLU 69 Ca -0.22 0.93 -0.32 0.00 -0.16 0.00 0.00 57.16 57.40 2kgt n GLU 69 Cb 0.55 -2.68 0.09 0.00 1.43 0.00 0.00 31.44 30.83 2kgt n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kgt n ARG 70 N 1.71 2.70 -1.34 3.44 5.12 -1.26 -4.99 116.66 122.04 2kgt n ARG 70 Ca 0.07 -3.34 -0.36 0.00 -1.93 0.00 0.00 57.85 52.29 2kgt n ARG 70 Cb 0.37 -2.26 0.07 0.00 -1.16 0.00 0.00 32.46 29.47 2kgt n ARG 70 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kgt n GLU 71 N -0.94 0.42 0.00 5.56 1.02 -1.26 -4.95 120.64 120.49 2kgt n GLU 71 Ca 0.60 0.18 0.01 0.00 -0.02 0.00 0.00 57.16 57.93 2kgt n GLU 71 Cb 0.83 -1.90 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 2kgt n GLU 71 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72