#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 0.57 -1.78 2.03 2.07 -2.12 -3.40 116.25 113.63 2kgt h VAL 2 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2kgt h VAL 2 Cb 0.00 0.76 -0.21 0.00 -1.52 0.00 0.00 31.29 30.32 2kgt h VAL 2 CO 0.00 0.00 -0.05 -0.94 0.02 0.00 0.00 177.57 176.60 2kgt s SER 3 N -5.89 -1.02 0.37 0.57 1.04 -1.26 -5.03 113.70 102.49 2kgt s SER 3 Ca -0.05 1.40 0.06 0.00 0.48 0.00 0.00 55.95 57.84 2kgt s SER 3 Cb 0.17 2.14 0.73 0.00 0.10 0.00 0.00 66.02 69.15 2kgt s SER 3 CO 0.63 -0.20 1.96 0.08 0.98 0.00 0.00 173.24 176.69 2kgt h ARG 4 N 7.85 0.52 -4.13 4.02 0.11 -2.09 -3.44 114.38 117.22 2kgt h ARG 4 Ca -0.18 -0.07 -0.12 0.00 0.10 0.00 0.00 59.98 59.71 2kgt h ARG 4 Cb 1.11 -0.10 -0.16 0.00 1.11 0.00 0.00 29.97 31.93 2kgt h ARG 4 CO 0.10 0.46 -0.63 0.34 0.10 0.00 0.00 179.97 180.33 2kgt s ASP 5 N -6.72 0.40 -0.33 0.08 2.15 -1.26 -5.04 116.67 105.96 2kgt s ASP 5 Ca -0.08 -0.88 0.08 0.00 0.43 0.00 0.00 52.55 52.10 2kgt s ASP 5 Cb 0.16 0.21 0.45 0.00 -0.30 0.00 0.00 42.92 43.45 2kgt s ASP 5 CO 0.75 -0.58 1.16 1.67 -0.17 0.00 0.00 175.17 177.99 2kgt n GLN 6 N 0.26 3.36 0.13 4.34 -0.06 -1.26 -4.74 117.38 119.41 2kgt n GLN 6 Ca -0.15 -4.19 0.03 0.00 -2.00 0.00 0.00 57.00 50.69 2kgt n GLN 6 Cb 0.60 -2.19 0.02 0.00 -4.06 0.00 0.00 30.24 24.61 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2kgt h ALA 7 N 2.34 0.68 -1.76 1.69 0.00 -1.96 -3.44 119.26 116.82 2kgt h ALA 7 Ca 0.30 -0.47 -0.56 0.00 0.00 0.00 0.00 54.91 54.18 2kgt h ALA 7 Cb 1.34 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2kgt h ALA 7 CO 0.74 0.61 0.99 -1.58 0.00 0.00 0.00 179.25 180.01 2kgt s HIS 8 N -2.98 2.65 -0.13 0.00 5.65 -1.26 -4.84 115.29 114.38 2kgt s HIS 8 Ca 0.03 0.72 0.20 0.00 0.25 0.00 0.00 55.06 56.26 2kgt s HIS 8 Cb 0.08 -4.35 0.44 0.00 -1.18 0.00 0.00 32.58 27.57 2kgt s HIS 8 CO 0.75 -1.57 1.18 1.28 -0.65 0.00 0.00 174.74 175.73 2kgt n LEU 9 N 8.21 1.92 0.00 8.88 4.32 -1.26 -5.11 117.00 133.96 2kgt n LEU 9 Ca 0.14 -2.94 0.00 0.00 -0.02 0.00 0.00 56.01 53.19 2kgt n LEU 9 Cb 0.48 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2kgt n LEU 9 CO 0.71 0.98 0.00 0.61 -1.22 0.00 0.00 177.39 178.47 2kgt n GLY 10 N -0.23 0.34 3.34 -0.72 0.00 -1.26 -4.99 105.19 101.67 2kgt n GLY 10 Ca 0.13 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 1.49 -1.76 1.61 -0.04 -1.26 -4.66 135.00 130.38 2kgt n PRO 11 Ca 0.00 -2.11 -0.30 0.00 -0.04 0.00 0.00 63.50 61.05 2kgt n PRO 11 Cb 0.00 -3.29 0.08 0.00 -0.04 0.00 0.00 33.50 30.25 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 5.77 2.27 -0.08 0.54 3.01 -1.26 -4.68 119.74 125.32 2kgt s LYS 12 Ca 0.63 0.41 0.03 0.00 -1.01 0.00 0.00 55.97 56.03 2kgt s LYS 12 Cb 0.07 -1.96 -0.02 0.00 -1.01 0.00 0.00 37.83 34.92 2kgt s LYS 12 CO 0.14 -1.44 -0.17 0.71 0.51 0.00 0.00 175.35 175.10 2kgt s TYR 13 N -3.35 2.66 0.01 3.18 1.51 0.85 -1.45 117.35 120.76 2kgt s TYR 13 Ca 0.60 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 2kgt s TYR 13 Cb -0.12 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 2kgt s TYR 13 CO 0.52 -0.08 -0.03 0.54 -1.11 0.00 0.00 175.55 175.39 2kgt s VAL 14 N -0.17 0.17 -2.69 0.71 0.11 -1.22 -1.44 120.40 115.87 2kgt s VAL 14 Ca -0.01 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2kgt s VAL 14 Cb -0.14 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 2kgt s VAL 14 CO 0.03 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 2kgt n GLY 15 N 2.39 -0.62 2.82 6.54 0.00 -1.26 -3.52 105.19 111.54 2kgt n GLY 15 Ca -0.17 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 -7.86 -4.58 0.99 4.32 -1.26 -3.86 117.00 104.76 2kgt n LEU 16 Ca 0.00 0.84 -0.41 0.00 -0.02 0.00 0.00 56.01 56.42 2kgt n LEU 16 Cb 0.00 -3.34 -0.03 0.00 -1.62 0.00 0.00 43.42 38.43 2kgt n LEU 16 CO 0.00 -2.62 1.81 0.86 -1.22 0.00 0.00 177.39 176.22 2kgt s TRP 17 N -2.24 1.31 -1.57 -1.77 -0.00 -1.26 -1.91 118.94 111.50 2kgt s TRP 17 Ca 0.16 0.87 -0.03 0.00 -0.00 0.00 0.00 56.10 57.10 2kgt s TRP 17 Cb -0.04 -3.89 0.03 0.00 -0.00 0.00 0.00 33.47 29.57 2kgt s TRP 17 CO 0.77 -3.26 0.13 -0.40 -0.00 0.00 0.00 176.95 174.19 2kgt n ASP 18 N 12.70 0.44 -4.51 5.86 5.75 -1.26 -4.84 116.55 130.68 2kgt n ASP 18 Ca 0.29 -1.24 -0.37 0.00 -0.01 0.00 0.00 54.79 53.46 2kgt n ASP 18 Cb 0.49 -1.78 -0.12 0.00 -1.03 0.00 0.00 41.12 38.68 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kgt s PHE 19 N -4.20 3.15 -0.18 2.11 5.36 -1.19 -4.97 117.98 118.06 2kgt s PHE 19 Ca 0.10 -0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 55.89 2kgt s PHE 19 Cb -0.06 -2.30 0.05 0.00 -0.34 0.00 0.00 43.02 40.37 2kgt s PHE 19 CO 0.99 -0.27 -0.03 0.15 -1.46 0.00 0.00 175.22 174.60 2kgt s LYS 20 N 1.67 1.24 0.40 10.12 -0.14 -1.26 -2.41 119.74 129.35 2kgt s LYS 20 Ca 0.07 -0.52 0.03 0.00 -1.36 0.00 0.00 55.97 54.18 2kgt s LYS 20 Cb -0.15 -2.05 0.07 0.00 -1.68 0.00 0.00 37.83 34.02 2kgt s LYS 20 CO 0.07 -0.49 0.55 0.43 -0.76 0.00 0.00 175.35 175.14 2kgt n SER 21 N 4.90 1.04 -1.10 2.83 7.64 -1.11 -4.98 113.62 122.83 2kgt n SER 21 Ca -0.11 -1.80 0.03 0.00 1.01 0.00 0.00 58.87 58.00 2kgt n SER 21 Cb 0.47 -0.33 0.04 0.00 -1.01 0.00 0.00 64.21 63.38 2kgt n SER 21 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kgt n ARG 22 N -1.95 0.18 -4.08 1.43 1.85 -1.26 -4.72 116.66 108.11 2kgt n ARG 22 Ca 0.10 -1.87 -0.07 0.00 -1.00 0.00 0.00 57.85 55.01 2kgt n ARG 22 Cb 0.36 -0.33 -0.10 0.00 -1.05 0.00 0.00 32.46 31.34 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kgt s THR 23 N -0.39 0.21 0.12 8.89 -4.23 -1.26 -5.03 115.64 113.95 2kgt s THR 23 Ca 0.25 -1.79 0.29 0.00 -1.18 0.00 0.00 61.69 59.27 2kgt s THR 23 Cb 0.28 -1.54 0.32 0.00 1.34 0.00 0.00 72.50 72.90 2kgt s THR 23 CO -0.11 -0.95 1.92 0.44 -0.54 0.00 0.00 174.62 175.38 2kgt h ASP 24 N 3.12 0.00 0.51 3.99 5.19 -1.99 -2.41 116.42 124.83 2kgt h ASP 24 Ca -0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 2kgt h ASP 24 Cb 1.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2kgt h ASP 24 CO 0.65 0.09 0.00 -1.84 -3.12 0.00 0.00 179.24 175.03 2kgt n GLU 25 N -3.23 0.24 -4.08 3.56 0.28 -1.26 -4.13 120.64 112.01 2kgt n GLU 25 Ca 0.00 0.09 -0.08 0.00 -0.16 0.00 0.00 57.16 57.01 2kgt n GLU 25 Cb 0.36 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.62 2kgt n GLU 25 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kgt s GLU 26 N -2.68 0.59 0.24 3.44 2.02 -0.91 -3.86 118.70 117.53 2kgt s GLU 26 Ca 0.18 -1.10 -0.00 0.00 0.02 0.00 0.00 54.97 54.08 2kgt s GLU 26 Cb 0.15 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.43 2kgt s GLU 26 CO 0.36 -0.07 0.43 -0.51 0.02 0.00 0.00 175.26 175.48 2kgt s LEU 27 N -2.59 4.18 -0.42 1.80 1.02 -1.26 -4.54 118.68 116.88 2kgt s LEU 27 Ca 0.02 0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.59 2kgt s LEU 27 Cb 0.03 -3.19 0.12 0.00 0.02 0.00 0.00 46.19 43.17 2kgt s LEU 27 CO -0.07 -0.11 0.19 -0.94 0.02 0.00 0.00 176.35 175.45 2kgt s SER 28 N -3.42 4.03 0.19 2.29 1.04 -1.26 -2.75 113.70 113.82 2kgt s SER 28 Ca 0.39 -2.48 -0.22 0.00 0.48 0.00 0.00 55.95 54.12 2kgt s SER 28 Cb -0.10 -1.23 0.06 0.00 0.10 0.00 0.00 66.02 64.84 2kgt s SER 28 CO 0.30 -0.30 0.64 0.72 0.98 0.00 0.00 173.24 175.58 2kgt s PHE 29 N 0.50 -0.44 0.15 5.02 -0.12 -1.01 -4.92 117.98 117.16 2kgt s PHE 29 Ca 0.15 0.16 -0.07 0.00 -0.05 0.00 0.00 56.93 57.12 2kgt s PHE 29 Cb -0.23 0.60 -0.06 0.00 -0.63 0.00 0.00 43.02 42.70 2kgt s PHE 29 CO -0.05 -0.96 0.43 -0.98 -0.05 0.00 0.00 175.22 173.61 2kgt s ARG 30 N -3.80 3.71 0.44 1.99 1.70 -1.26 -3.32 118.95 118.41 2kgt s ARG 30 Ca 0.04 0.08 -0.23 0.00 -0.47 0.00 0.00 55.73 55.15 2kgt s ARG 30 Cb -0.02 -2.84 -0.11 0.00 -0.57 0.00 0.00 34.95 31.41 2kgt s ARG 30 CO -0.07 0.46 0.80 0.00 -1.08 0.00 0.00 175.30 175.40 2kgt n ALA 31 N 0.26 -0.57 0.00 7.88 0.00 -0.80 -2.83 120.51 124.45 2kgt n ALA 31 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2kgt n ALA 31 Cb 0.52 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 1.47 2.23 3.75 0.00 0.00 -1.26 -4.89 105.19 106.49 2kgt n GLY 32 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2kgt n GLY 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kgt s ASP 33 N -1.48 7.41 -0.07 1.61 -1.08 -1.13 -4.98 116.67 116.95 2kgt s ASP 33 Ca 0.00 2.14 -0.11 0.00 -0.52 0.00 0.00 52.55 54.07 2kgt s ASP 33 Cb 0.00 -2.62 -0.05 0.00 -1.46 0.00 0.00 42.92 38.79 2kgt s ASP 33 CO 0.00 -0.03 0.26 0.68 0.52 0.00 0.00 175.17 176.60 2kgt s VAL 34 N -1.14 5.30 0.10 1.11 -7.23 -1.26 -4.26 120.40 113.02 2kgt s VAL 34 Ca 0.43 0.49 -0.12 0.00 -1.81 0.00 0.00 61.98 60.98 2kgt s VAL 34 Cb -0.30 -3.54 0.01 0.00 0.56 0.00 0.00 36.38 33.11 2kgt s VAL 34 CO 0.37 0.59 0.28 0.72 -0.31 0.00 0.00 175.10 176.75 2kgt s PHE 35 N -0.95 0.00 0.29 2.82 -0.71 -0.52 -4.34 117.98 114.57 2kgt s PHE 35 Ca 0.19 -0.38 0.11 0.00 -1.04 0.00 0.00 56.93 55.81 2kgt s PHE 35 Cb -0.14 0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.69 2kgt s PHE 35 CO 0.08 -0.60 -0.13 -1.58 -1.34 0.00 0.00 175.22 171.64 2kgt s HIS 36 N -3.79 2.40 -0.17 3.49 2.46 -1.23 -0.11 115.29 118.34 2kgt s HIS 36 Ca 0.04 -0.34 -0.09 0.00 0.47 0.00 0.00 55.06 55.14 2kgt s HIS 36 Cb 0.03 -1.11 -0.05 0.00 -0.13 0.00 0.00 32.58 31.33 2kgt s HIS 36 CO -0.11 0.67 0.14 0.14 -2.47 0.00 0.00 174.74 173.10 2kgt s VAL 37 N -2.49 5.44 -0.25 0.89 -7.23 -1.26 -1.55 120.40 113.96 2kgt s VAL 37 Ca 0.31 0.20 0.03 0.00 -1.81 0.00 0.00 61.98 60.71 2kgt s VAL 37 Cb -0.04 -3.45 -0.18 0.00 0.56 0.00 0.00 36.38 33.27 2kgt s VAL 37 CO 0.16 0.50 -0.18 0.00 -0.31 0.00 0.00 175.10 175.28 2kgt n ALA 38 N 2.99 1.42 -3.62 1.32 0.00 -0.92 -4.94 120.51 116.76 2kgt n ALA 38 Ca -0.17 -1.10 -0.27 0.00 0.00 0.00 0.00 53.44 51.89 2kgt n ALA 38 Cb 0.53 -0.13 -0.17 0.00 0.00 0.00 0.00 19.45 19.68 2kgt n ALA 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kgt s ARG 39 N -2.52 2.03 -0.38 0.00 3.52 -1.25 -5.05 118.95 115.29 2kgt s ARG 39 Ca -0.33 -0.50 -0.10 0.00 -0.13 0.00 0.00 55.73 54.67 2kgt s ARG 39 Cb 0.09 -1.74 0.04 0.00 -1.56 0.00 0.00 34.95 31.78 2kgt s ARG 39 CO 0.62 -0.05 0.21 -1.59 -0.81 0.00 0.00 175.30 173.68 2kgt s LYS 40 N 0.96 2.75 0.23 5.12 -2.85 -1.26 -1.88 119.74 122.82 2kgt s LYS 40 Ca -0.08 -1.19 0.08 0.00 -1.00 0.00 0.00 55.97 53.78 2kgt s LYS 40 Cb -0.15 -3.73 -0.04 0.00 -2.06 0.00 0.00 37.83 31.85 2kgt s LYS 40 CO -0.01 -0.77 0.05 -2.00 0.10 0.00 0.00 175.35 172.72 2kgt s GLU 41 N 1.51 2.49 0.25 1.78 2.56 -1.18 -5.01 118.70 121.11 2kgt s GLU 41 Ca 0.02 -1.23 0.25 0.00 0.00 0.00 0.00 54.97 54.00 2kgt s GLU 41 Cb -0.20 -2.32 0.93 0.00 2.00 0.00 0.00 34.13 34.54 2kgt s GLU 41 CO 0.05 0.40 1.74 -0.85 -0.56 0.00 0.00 175.26 176.04 2kgt n GLU 42 N -0.74 0.22 -0.01 4.30 0.28 -1.26 -4.05 120.64 119.39 2kgt n GLU 42 Ca -0.08 0.36 -0.01 0.00 -0.16 0.00 0.00 57.16 57.27 2kgt n GLU 42 Cb 0.58 -1.86 -0.00 0.00 1.43 0.00 0.00 31.44 31.58 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 -2.27 0.08 -4.29 3.44 6.02 -1.26 -5.06 117.38 114.04 2kgt n GLN 43 Ca 0.03 0.12 -0.18 0.00 -0.01 0.00 0.00 57.00 56.96 2kgt n GLN 43 Cb 0.30 -0.73 -0.11 0.00 1.02 0.00 0.00 30.24 30.72 2kgt n GLN 43 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2kgt s TRP 44 N -1.26 1.52 -0.17 1.08 0.52 -1.26 -4.91 118.94 114.47 2kgt s TRP 44 Ca -0.04 -0.59 -0.06 0.00 0.02 0.00 0.00 56.10 55.43 2kgt s TRP 44 Cb 0.01 -0.75 -0.04 0.00 -1.15 0.00 0.00 33.47 31.53 2kgt s TRP 44 CO 0.05 0.22 0.04 -1.58 0.02 0.00 0.00 176.95 175.71 2kgt s TRP 45 N -2.65 3.22 -0.23 -1.98 0.51 -1.24 -3.09 118.94 113.48 2kgt s TRP 45 Ca 0.16 0.04 -0.23 0.00 -2.12 0.00 0.00 56.10 53.95 2kgt s TRP 45 Cb -0.02 -2.03 -0.01 0.00 -0.81 0.00 0.00 33.47 30.60 2kgt s TRP 45 CO 0.04 0.18 0.75 -1.58 -0.51 0.00 0.00 176.95 175.83 2kgt s TRP 46 N 0.21 3.32 0.17 -1.98 0.52 -0.78 -2.50 118.94 117.89 2kgt s TRP 46 Ca 0.03 1.04 0.09 0.00 0.02 0.00 0.00 56.10 57.28 2kgt s TRP 46 Cb -0.13 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.19 2kgt s TRP 46 CO 0.01 -0.34 -0.10 0.00 0.02 0.00 0.00 176.95 176.54 2kgt s ALA 47 N 2.57 2.93 -0.11 0.98 0.00 0.67 -2.17 121.76 126.63 2kgt s ALA 47 Ca 0.32 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 2kgt s ALA 47 Cb -0.16 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.25 2kgt s ALA 47 CO 0.08 0.49 -0.04 0.99 0.00 0.00 0.00 175.76 177.29 2kgt s THR 48 N -1.62 0.77 -0.35 0.00 2.01 -0.59 -2.37 115.64 113.48 2kgt s THR 48 Ca 0.24 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 2kgt s THR 48 Cb -0.09 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2kgt s THR 48 CO 0.15 0.26 1.12 -0.22 -0.69 0.00 0.00 174.62 175.24 2kgt s LEU 49 N 1.80 3.85 0.21 4.42 1.98 0.12 -3.47 118.68 127.59 2kgt s LEU 49 Ca 0.04 0.93 0.08 0.00 -2.89 0.00 0.00 54.13 52.29 2kgt s LEU 49 Cb -0.13 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.13 2kgt s LEU 49 CO -0.07 -1.00 0.02 -0.76 -1.89 0.00 0.00 176.35 172.65 2kgt s LEU 50 N 3.96 3.34 1.09 -0.68 1.43 -1.26 0.12 118.68 126.68 2kgt s LEU 50 Ca 0.48 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 2kgt s LEU 50 Cb -0.12 -1.94 0.24 0.00 0.03 0.00 0.00 46.19 44.40 2kgt s LEU 50 CO 0.20 0.05 1.17 -0.62 0.23 0.00 0.00 176.35 177.38 2kgt s ASP 51 N -3.25 1.94 0.59 2.29 2.15 0.72 -4.79 116.67 116.32 2kgt s ASP 51 Ca 0.29 0.62 0.30 0.00 0.43 0.00 0.00 52.55 54.19 2kgt s ASP 51 Cb -0.08 -0.89 1.75 0.00 -0.30 0.00 0.00 42.92 43.40 2kgt s ASP 51 CO 0.20 -3.49 2.17 1.05 -0.17 0.00 0.00 175.17 174.93 2kgt h GLU 52 N -2.15 0.00 0.00 4.34 4.11 -1.98 0.19 114.58 119.08 2kgt h GLU 52 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kgt h GLU 52 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kgt h GLU 52 CO 0.41 0.00 -0.39 0.00 0.07 0.00 0.00 179.01 179.10 2kgt h ALA 53 N 1.86 0.79 0.00 1.06 0.00 -1.94 -3.38 119.26 117.65 2kgt h ALA 53 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kgt h ALA 53 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 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 1.20 1.07 3.68 0.00 0.00 0.65 -5.07 105.19 106.72 2kgt n GLY 54 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2kgt n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kgt s GLY 55 N -2.08 1.60 0.74 -0.02 0.00 -1.26 -4.50 107.32 101.80 2kgt s GLY 55 Ca 0.00 1.06 -0.16 0.00 0.00 0.00 0.00 44.72 45.62 2kgt s GLY 55 CO 0.00 2.89 0.52 0.00 0.00 0.00 0.00 173.10 176.51 2kgt n ALA 56 N 6.12 -1.57 0.08 3.20 0.00 -1.26 -0.20 120.51 126.89 2kgt n ALA 56 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kgt n ALA 56 Cb 0.42 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2kgt n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kgt n VAL 57 N -2.46 0.00 -4.15 0.00 0.31 0.12 -4.70 118.33 107.44 2kgt n VAL 57 Ca 0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.19 2kgt n VAL 57 Cb 0.50 -0.18 -0.06 0.00 -0.91 0.00 0.00 33.84 33.19 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 -1.87 3.44 0.13 3.52 0.00 -0.62 -4.97 121.76 121.38 2kgt s ALA 58 Ca 0.00 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.60 2kgt s ALA 58 Cb 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2kgt s ALA 58 CO 0.00 0.36 -0.09 -0.65 0.00 0.00 0.00 175.76 175.38 2kgt s GLN 59 N -3.46 0.97 0.00 0.00 -0.21 -1.26 -0.71 119.66 114.99 2kgt s GLN 59 Ca 0.31 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 54.30 2kgt s GLN 59 Cb -0.08 -0.47 0.00 0.00 1.00 0.00 0.00 33.01 33.46 2kgt s GLN 59 CO 0.23 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 2kgt n GLY 60 N -0.10 2.80 3.27 3.09 0.00 -1.00 -4.54 105.19 108.72 2kgt n GLY 60 Ca -0.11 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 2kgt n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kgt s TYR 61 N -2.00 1.60 0.05 1.61 -0.85 -1.25 -0.24 117.35 116.27 2kgt s TYR 61 Ca 0.00 -0.49 -0.06 0.00 -0.52 0.00 0.00 57.07 56.00 2kgt s TYR 61 Cb 0.00 -0.84 -0.01 0.00 0.38 0.00 0.00 41.96 41.49 2kgt s TYR 61 CO 0.00 0.21 0.11 0.14 -1.52 0.00 0.00 175.55 174.49 2kgt s VAL 62 N -1.82 0.14 0.38 -3.49 -7.23 -1.04 -4.18 120.40 103.16 2kgt s VAL 62 Ca 0.10 -1.18 -0.26 0.00 -1.81 0.00 0.00 61.98 58.83 2kgt s VAL 62 Cb -0.07 -1.05 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 2kgt s VAL 62 CO 0.04 -0.65 1.20 -2.16 -0.31 0.00 0.00 175.10 173.22 2kgt s PRO 63 N -2.98 4.15 0.59 4.82 0.04 -1.26 -3.68 135.00 136.67 2kgt s PRO 63 Ca -0.02 1.93 0.35 0.00 0.04 0.00 0.00 61.00 63.30 2kgt s PRO 63 Cb 0.01 -2.80 1.81 0.00 0.04 0.00 0.00 34.50 33.57 2kgt s PRO 63 CO -0.06 -0.27 2.18 1.12 0.04 0.00 0.00 177.00 180.01 2kgt h HIS 64 N 2.87 0.00 0.00 0.56 2.07 -1.91 -1.21 115.15 117.53 2kgt h HIS 64 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2kgt h HIS 64 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2kgt h HIS 64 CO 0.55 0.04 0.00 -0.91 -3.07 0.00 0.00 177.93 174.54 2kgt h ASN 65 N 0.00 0.00 0.00 3.10 -0.26 -2.01 -3.14 115.58 113.27 2kgt h ASN 65 Ca -0.00 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.52 2kgt h ASN 65 Cb 0.22 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.44 2kgt h ASN 65 CO 0.01 0.00 -1.84 0.00 -1.06 0.00 0.00 177.43 174.54 2kgt n TYR 66 N -2.54 0.00 -3.48 1.19 4.19 -0.52 -4.99 117.16 111.01 2kgt n TYR 66 Ca 0.00 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 60.83 2kgt n TYR 66 Cb 0.18 -0.56 -0.06 0.00 0.49 0.00 0.00 39.34 39.39 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 -5.92 4.48 -0.07 2.98 1.98 -0.82 -4.25 118.68 117.06 2kgt s LEU 67 Ca -0.20 0.99 0.05 0.00 -2.89 0.00 0.00 54.13 52.08 2kgt s LEU 67 Cb 0.05 -2.62 -0.00 0.00 0.66 0.00 0.00 46.19 44.28 2kgt s LEU 67 CO 0.33 0.32 -0.22 0.00 -1.89 0.00 0.00 176.35 174.89 2kgt s ALA 68 N -1.06 1.97 0.21 5.97 0.00 -1.23 -4.61 121.76 123.01 2kgt s ALA 68 Ca 0.24 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 2kgt s ALA 68 Cb -0.17 -0.69 -0.09 0.00 0.00 0.00 0.00 23.12 22.17 2kgt s ALA 68 CO 0.14 0.31 1.32 -1.83 0.00 0.00 0.00 175.76 175.70 2kgt s GLU 69 N 0.16 4.37 -0.57 0.00 -1.05 -1.26 -3.40 118.70 116.95 2kgt s GLU 69 Ca -0.11 2.09 0.02 0.00 -0.15 0.00 0.00 54.97 56.82 2kgt s GLU 69 Cb -0.15 -3.18 0.42 0.00 -0.44 0.00 0.00 34.13 30.77 2kgt s GLU 69 CO 0.06 -0.27 1.58 0.54 0.95 0.00 0.00 175.26 178.12 2kgt n ARG 70 N 2.50 3.12 -1.61 -4.83 5.12 -0.53 -4.98 116.66 115.46 2kgt n ARG 70 Ca 0.06 -3.90 -0.43 0.00 -1.93 0.00 0.00 57.85 51.66 2kgt n ARG 70 Cb 0.42 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 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 -0.64 1.43 0.00 5.56 1.02 -1.26 -4.13 120.64 122.62 2kgt n GLU 71 Ca 0.49 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 2kgt n GLU 71 Cb 0.61 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2kgt n GLU 71 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56