#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgt s VAL 2 N 0.00 0.45 -0.14 3.17 1.01 -1.26 -5.13 120.40 118.50 2kgt s VAL 2 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 2kgt s VAL 2 Cb 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2kgt s VAL 2 CO 0.00 0.06 0.47 -0.44 0.00 0.00 0.00 175.10 175.20 2kgt s SER 3 N 1.92 6.64 0.14 3.32 0.01 -1.26 -4.97 113.70 119.50 2kgt s SER 3 Ca 0.03 0.76 -0.10 0.00 1.31 0.00 0.00 55.95 57.95 2kgt s SER 3 Cb -0.14 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2kgt s SER 3 CO -0.07 -0.03 1.45 0.08 0.41 0.00 0.00 173.24 175.08 2kgt h ARG 4 N 6.89 0.84 -7.29 12.44 0.11 -2.05 -3.44 114.38 121.88 2kgt h ARG 4 Ca -0.39 -0.50 -0.49 0.00 0.10 0.00 0.00 59.98 58.69 2kgt h ARG 4 Cb 1.17 0.05 0.16 0.00 1.11 0.00 0.00 29.97 32.46 2kgt h ARG 4 CO 0.75 1.14 0.23 -0.51 0.10 0.00 0.00 179.97 181.67 2kgt s ASP 5 N -6.92 3.23 -0.55 0.08 1.01 -1.26 -4.81 116.67 107.44 2kgt s ASP 5 Ca -0.10 1.72 -0.31 0.00 0.71 0.00 0.00 52.55 54.57 2kgt s ASP 5 Cb 0.11 -2.35 -0.12 0.00 1.01 0.00 0.00 42.92 41.57 2kgt s ASP 5 CO 0.88 -2.83 2.40 0.00 0.21 0.00 0.00 175.17 175.83 2kgt n GLN 6 N -4.03 0.84 0.07 8.23 10.64 -1.26 -4.78 117.38 127.09 2kgt n GLN 6 Ca 0.08 0.12 -0.04 0.00 -1.83 0.00 0.00 57.00 55.33 2kgt n GLN 6 Cb 0.54 -2.62 -0.08 0.00 -0.86 0.00 0.00 30.24 27.22 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kgt h ALA 7 N 15.05 0.54 -2.29 2.61 0.00 -1.87 -3.42 119.26 129.87 2kgt h ALA 7 Ca -0.21 -0.86 -0.74 0.00 0.00 0.00 0.00 54.91 53.09 2kgt h ALA 7 Cb 1.30 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.86 2kgt h ALA 7 CO 1.16 1.09 -0.31 -1.01 0.00 0.00 0.00 179.25 180.18 2kgt s HIS 8 N -2.79 3.26 -0.17 0.00 3.76 -1.26 -4.86 115.29 113.24 2kgt s HIS 8 Ca 0.01 -1.14 0.15 0.00 -0.15 0.00 0.00 55.06 53.92 2kgt s HIS 8 Cb 0.09 -3.38 -0.21 0.00 1.11 0.00 0.00 32.58 30.19 2kgt s HIS 8 CO 0.80 -0.88 0.06 1.28 -0.85 0.00 0.00 174.74 175.14 2kgt n LEU 9 N 5.18 0.01 -3.67 0.89 7.99 -1.26 -5.08 117.00 121.06 2kgt n LEU 9 Ca -0.13 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 2kgt n LEU 9 Cb 0.42 0.41 -0.00 0.00 -0.11 0.00 0.00 43.42 44.14 2kgt n LEU 9 CO 0.49 0.41 0.98 -0.83 -1.51 0.00 0.00 177.39 176.93 2kgt s GLY 10 N -5.06 -0.35 0.72 -0.72 0.00 -1.26 -5.17 107.32 95.48 2kgt s GLY 10 Ca -0.08 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.02 2kgt s GLY 10 CO 0.68 0.44 1.10 2.56 0.00 0.00 0.00 173.10 177.89 2kgt s PRO 11 N -2.58 2.52 0.75 2.90 0.04 -1.26 -5.04 135.00 132.33 2kgt s PRO 11 Ca 0.15 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 2kgt s PRO 11 Cb 0.03 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.69 2kgt s PRO 11 CO -0.02 -1.45 1.12 0.15 0.04 0.00 0.00 177.00 176.84 2kgt s LYS 12 N -4.50 2.49 -0.04 4.56 3.01 -1.26 -4.89 119.74 119.10 2kgt s LYS 12 Ca 0.64 0.38 0.04 0.00 -1.01 0.00 0.00 55.97 56.02 2kgt s LYS 12 Cb -0.19 -1.99 -0.00 0.00 -1.01 0.00 0.00 37.83 34.64 2kgt s LYS 12 CO 0.49 -1.28 -0.17 0.71 0.51 0.00 0.00 175.35 175.61 2kgt s TYR 13 N -3.40 1.69 0.04 3.18 1.51 -1.04 -2.15 117.35 117.18 2kgt s TYR 13 Ca 0.60 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 56.16 2kgt s TYR 13 Cb -0.11 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 2kgt s TYR 13 CO 0.51 -0.16 0.02 0.54 -1.11 0.00 0.00 175.55 175.35 2kgt s VAL 14 N 0.01 0.17 0.00 0.71 0.11 -0.45 -1.78 120.40 119.17 2kgt s VAL 14 Ca -0.03 -1.37 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 2kgt s VAL 14 Cb -0.11 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 2kgt s VAL 14 CO 0.02 -0.76 0.00 0.61 -3.33 0.00 0.00 175.10 171.64 2kgt n GLY 15 N 0.62 0.00 2.72 6.54 0.00 -1.26 -0.10 105.19 113.70 2kgt n GLY 15 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 4.64 -4.55 0.99 7.99 -1.26 -3.88 117.00 120.93 2kgt n LEU 16 Ca 0.00 -5.53 -0.23 0.00 -0.01 0.00 0.00 56.01 50.24 2kgt n LEU 16 Cb 0.00 -0.71 -0.07 0.00 -0.11 0.00 0.00 43.42 42.53 2kgt n LEU 16 CO 0.00 2.17 1.59 1.87 -1.51 0.00 0.00 177.39 181.51 2kgt n TRP 17 N 0.30 1.17 -3.09 -1.77 -0.00 -1.26 -0.37 117.44 112.43 2kgt n TRP 17 Ca 0.32 0.05 -0.10 0.00 -0.00 0.00 0.00 57.50 57.77 2kgt n TRP 17 Cb 0.38 -2.50 0.01 0.00 -0.00 0.00 0.00 31.31 29.20 2kgt n TRP 17 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kgt n ASP 18 N 16.73 -6.93 -3.76 5.87 2.03 -1.26 -4.87 116.55 124.36 2kgt n ASP 18 Ca 0.45 0.58 -0.23 0.00 0.52 0.00 0.00 54.79 56.11 2kgt n ASP 18 Cb 0.44 -3.14 -0.17 0.00 -0.72 0.00 0.00 41.12 37.53 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 -1.50 0.69 -0.30 -0.67 5.36 -1.17 -4.97 117.98 115.42 2kgt s PHE 19 Ca 0.12 -0.23 -0.02 0.00 -0.96 0.00 0.00 56.93 55.84 2kgt s PHE 19 Cb -0.02 -0.82 0.10 0.00 -0.34 0.00 0.00 43.02 41.94 2kgt s PHE 19 CO 0.51 -0.36 0.10 0.15 -1.46 0.00 0.00 175.22 174.16 2kgt s LYS 20 N 1.97 0.58 0.41 10.12 -0.14 -1.26 -1.57 119.74 129.84 2kgt s LYS 20 Ca 0.04 -0.89 0.08 0.00 -1.36 0.00 0.00 55.97 53.84 2kgt s LYS 20 Cb -0.13 -1.79 -0.02 0.00 -1.68 0.00 0.00 37.83 34.22 2kgt s LYS 20 CO -0.06 -0.97 0.40 -1.12 -0.76 0.00 0.00 175.35 172.84 2kgt s SER 21 N 1.76 5.15 -0.21 2.83 0.01 -1.13 -5.00 113.70 117.11 2kgt s SER 21 Ca 0.09 -0.68 0.12 0.00 1.31 0.00 0.00 55.95 56.79 2kgt s SER 21 Cb -0.17 -0.62 0.43 0.00 0.21 0.00 0.00 66.02 65.87 2kgt s SER 21 CO -0.27 -0.64 1.21 -2.11 0.41 0.00 0.00 173.24 171.84 2kgt n ARG 22 N -1.57 1.79 -4.05 12.44 -4.01 -1.26 -4.62 116.66 115.39 2kgt n ARG 22 Ca 0.04 -3.34 -0.11 0.00 -1.04 0.00 0.00 57.85 53.39 2kgt n ARG 22 Cb 0.61 -1.58 -0.11 0.00 -3.04 0.00 0.00 32.46 28.34 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 2kgt s THR 23 N -3.18 0.41 0.18 8.89 -4.23 -1.26 -5.02 115.64 111.43 2kgt s THR 23 Ca 0.40 -1.15 0.35 0.00 -1.18 0.00 0.00 61.69 60.11 2kgt s THR 23 Cb 0.38 -0.66 0.38 0.00 1.34 0.00 0.00 72.50 73.94 2kgt s THR 23 CO -0.06 -0.50 2.05 0.44 -0.54 0.00 0.00 174.62 176.01 2kgt h ASP 24 N 4.32 0.00 0.16 3.99 3.32 -1.96 -1.46 116.42 124.79 2kgt h ASP 24 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2kgt h ASP 24 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2kgt h ASP 24 CO 0.44 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 176.12 2kgt n GLU 25 N -2.93 0.82 -4.03 3.56 0.28 -1.26 -3.22 120.64 113.85 2kgt n GLU 25 Ca -0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 2kgt n GLU 25 Cb 0.21 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.48 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 -2.16 0.57 0.31 3.44 0.41 -0.55 -3.36 118.70 117.36 2kgt s GLU 26 Ca 0.41 -1.04 -0.03 0.00 -0.41 0.00 0.00 54.97 53.91 2kgt s GLU 26 Cb 0.21 0.21 -0.04 0.00 -1.78 0.00 0.00 34.13 32.72 2kgt s GLU 26 CO 0.38 -0.12 0.55 -0.51 -0.49 0.00 0.00 175.26 175.08 2kgt s LEU 27 N -2.56 4.04 -0.60 1.80 2.01 -1.26 -4.56 118.68 117.54 2kgt s LEU 27 Ca 0.01 0.63 0.04 0.00 0.01 0.00 0.00 54.13 54.83 2kgt s LEU 27 Cb 0.04 -3.46 0.17 0.00 0.01 0.00 0.00 46.19 42.94 2kgt s LEU 27 CO -0.08 -0.23 0.43 -0.94 1.01 0.00 0.00 176.35 176.54 2kgt s SER 28 N -3.45 3.75 0.21 2.29 1.04 -1.26 -2.83 113.70 113.45 2kgt s SER 28 Ca 0.43 -3.53 -0.22 0.00 0.48 0.00 0.00 55.95 53.10 2kgt s SER 28 Cb -0.10 -1.25 0.05 0.00 0.10 0.00 0.00 66.02 64.81 2kgt s SER 28 CO 0.32 -0.12 0.65 0.12 0.98 0.00 0.00 173.24 175.19 2kgt s PHE 29 N -0.88 -0.39 0.18 5.02 5.36 -0.61 -4.94 117.98 121.72 2kgt s PHE 29 Ca 0.27 0.08 -0.08 0.00 -0.96 0.00 0.00 56.93 56.23 2kgt s PHE 29 Cb -0.04 0.62 -0.06 0.00 -0.34 0.00 0.00 43.02 43.20 2kgt s PHE 29 CO -0.16 -1.01 0.47 -0.98 -1.46 0.00 0.00 175.22 172.07 2kgt s ARG 30 N -3.82 3.73 1.02 10.12 1.70 -1.26 -3.03 118.95 127.41 2kgt s ARG 30 Ca 0.05 0.13 -0.15 0.00 -0.47 0.00 0.00 55.73 55.29 2kgt s ARG 30 Cb -0.03 -2.76 0.05 0.00 -0.57 0.00 0.00 34.95 31.64 2kgt s ARG 30 CO -0.05 0.40 0.20 0.00 -1.08 0.00 0.00 175.30 174.77 2kgt n ALA 31 N 0.06 -3.31 0.00 7.88 0.00 0.50 -3.55 120.51 122.09 2kgt n ALA 31 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2kgt n ALA 31 Cb 0.52 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.78 3.21 3.83 0.00 0.00 -1.26 -4.92 105.19 107.83 2kgt n GLY 32 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.00 6.65 0.02 1.61 1.11 -1.23 -5.05 116.67 119.79 2kgt s ASP 33 Ca 0.00 1.67 -0.17 0.00 0.18 0.00 0.00 52.55 54.22 2kgt s ASP 33 Cb 0.00 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.40 2kgt s ASP 33 CO 0.00 -0.56 0.49 0.68 1.18 0.00 0.00 175.17 176.96 2kgt s VAL 34 N -2.39 4.91 0.05 -1.27 -7.23 -1.26 -4.71 120.40 108.50 2kgt s VAL 34 Ca 0.61 1.03 0.04 0.00 -1.81 0.00 0.00 61.98 61.85 2kgt s VAL 34 Cb -0.11 -3.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 2kgt s VAL 34 CO 0.24 0.55 -0.12 -0.36 -0.31 0.00 0.00 175.10 175.09 2kgt s PHE 35 N -0.95 1.04 -0.05 2.82 0.08 -0.73 -4.24 117.98 115.94 2kgt s PHE 35 Ca 0.26 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 56.95 2kgt s PHE 35 Cb -0.18 -0.60 -0.01 0.00 -0.57 0.00 0.00 43.02 41.66 2kgt s PHE 35 CO 0.16 0.01 -0.24 -1.58 -0.10 0.00 0.00 175.22 173.47 2kgt s HIS 36 N -1.14 2.45 -0.05 0.36 2.46 -1.17 -2.50 115.29 115.70 2kgt s HIS 36 Ca -0.03 -0.60 -0.22 0.00 0.47 0.00 0.00 55.06 54.68 2kgt s HIS 36 Cb -0.09 -1.59 -0.04 0.00 -0.13 0.00 0.00 32.58 30.73 2kgt s HIS 36 CO 0.01 -0.14 0.63 0.14 -2.47 0.00 0.00 174.74 172.92 2kgt s VAL 37 N -0.30 5.02 -0.21 0.89 -7.23 -1.26 -1.29 120.40 116.03 2kgt s VAL 37 Ca 0.01 1.30 0.13 0.00 -1.81 0.00 0.00 61.98 61.61 2kgt s VAL 37 Cb -0.13 -3.97 -0.22 0.00 0.56 0.00 0.00 36.38 32.63 2kgt s VAL 37 CO 0.02 0.32 -0.01 0.00 -0.31 0.00 0.00 175.10 175.12 2kgt n ALA 38 N 3.42 1.51 -3.67 1.32 0.00 -0.89 -4.96 120.51 117.24 2kgt n ALA 38 Ca -0.04 -1.22 -0.10 0.00 0.00 0.00 0.00 53.44 52.08 2kgt n ALA 38 Cb 0.51 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.47 0.33 -0.32 0.00 1.81 -1.25 -5.04 118.95 112.00 2kgt s ARG 39 Ca -0.16 0.93 -0.09 0.00 -1.72 0.00 0.00 55.73 54.69 2kgt s ARG 39 Cb 0.06 0.18 0.01 0.00 -0.45 0.00 0.00 34.95 34.75 2kgt s ARG 39 CO 0.74 -0.22 0.14 -1.59 -0.68 0.00 0.00 175.30 173.68 2kgt s LYS 40 N 2.20 3.09 0.69 3.54 -2.85 -1.26 -0.06 119.74 125.10 2kgt s LYS 40 Ca -0.04 -0.88 -0.02 0.00 -1.00 0.00 0.00 55.97 54.03 2kgt s LYS 40 Cb -0.11 -3.54 0.09 0.00 -2.06 0.00 0.00 37.83 32.22 2kgt s LYS 40 CO -0.12 -0.51 0.96 -2.00 0.10 0.00 0.00 175.35 173.78 2kgt s GLU 41 N 1.55 1.93 0.17 1.78 2.56 -0.76 -4.97 118.70 120.97 2kgt s GLU 41 Ca 0.03 -0.80 0.23 0.00 0.00 0.00 0.00 54.97 54.42 2kgt s GLU 41 Cb -0.18 -2.31 0.90 0.00 2.00 0.00 0.00 34.13 34.54 2kgt s GLU 41 CO 0.05 -1.28 1.70 -0.85 -0.56 0.00 0.00 175.26 174.32 2kgt n GLU 42 N -2.79 0.15 0.00 4.30 0.28 -1.26 -4.40 120.64 116.93 2kgt n GLU 42 Ca 0.12 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 2kgt n GLU 42 Cb 0.60 -1.75 0.00 0.00 1.43 0.00 0.00 31.44 31.73 2kgt n GLU 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kgt n GLN 43 N -2.03 0.00 -4.02 3.44 10.64 -1.26 -5.10 117.38 119.06 2kgt n GLN 43 Ca 0.04 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.97 2kgt n GLN 43 Cb 0.28 -0.01 -0.04 0.00 -0.86 0.00 0.00 30.24 29.61 2kgt n GLN 43 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2kgt s TRP 44 N -0.64 3.32 0.14 2.61 0.52 -1.26 -4.52 118.94 119.11 2kgt s TRP 44 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 56.10 56.20 2kgt s TRP 44 Cb 0.00 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 2kgt s TRP 44 CO 0.00 0.50 -0.07 -1.58 0.02 0.00 0.00 176.95 175.81 2kgt s TRP 45 N -1.89 2.74 -0.32 -1.98 0.52 -0.59 -1.82 118.94 115.60 2kgt s TRP 45 Ca 0.33 -0.17 -0.15 0.00 0.02 0.00 0.00 56.10 56.14 2kgt s TRP 45 Cb -0.10 -1.38 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 2kgt s TRP 45 CO 0.27 0.48 0.35 -1.58 0.02 0.00 0.00 176.95 176.48 2kgt s TRP 46 N -1.48 3.22 0.08 -1.98 0.52 0.92 -0.10 118.94 120.12 2kgt s TRP 46 Ca 0.24 0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.50 2kgt s TRP 46 Cb -0.10 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 2kgt s TRP 46 CO 0.15 -0.35 0.02 0.00 0.02 0.00 0.00 176.95 176.79 2kgt s ALA 47 N 2.00 3.38 -0.09 0.98 0.00 -0.38 -2.09 121.76 125.57 2kgt s ALA 47 Ca 0.12 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2kgt s ALA 47 Cb -0.16 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2kgt s ALA 47 CO 0.11 0.71 -0.13 0.99 0.00 0.00 0.00 175.76 177.45 2kgt s THR 48 N -1.32 1.27 -0.32 0.00 2.01 -0.41 -1.46 115.64 115.41 2kgt s THR 48 Ca 0.27 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 2kgt s THR 48 Cb -0.12 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.23 2kgt s THR 48 CO 0.19 0.39 1.07 -0.76 -0.69 0.00 0.00 174.62 174.82 2kgt s LEU 49 N 0.98 3.93 0.23 4.42 2.01 0.97 -3.02 118.68 128.21 2kgt s LEU 49 Ca -0.08 1.04 0.09 0.00 0.01 0.00 0.00 54.13 55.19 2kgt s LEU 49 Cb -0.15 -3.53 -0.04 0.00 0.01 0.00 0.00 46.19 42.47 2kgt s LEU 49 CO -0.01 -0.88 -0.05 -0.76 1.01 0.00 0.00 176.35 175.67 2kgt s LEU 50 N 3.64 3.09 1.13 1.79 1.43 -1.26 0.30 118.68 128.80 2kgt s LEU 50 Ca 0.45 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 2kgt s LEU 50 Cb -0.12 -1.68 0.27 0.00 0.03 0.00 0.00 46.19 44.69 2kgt s LEU 50 CO 0.15 0.05 1.21 -0.62 0.23 0.00 0.00 176.35 177.37 2kgt s ASP 51 N -3.32 1.62 0.49 2.29 2.15 0.72 -4.81 116.67 115.81 2kgt s ASP 51 Ca 0.29 0.40 0.15 0.00 0.43 0.00 0.00 52.55 53.82 2kgt s ASP 51 Cb -0.07 -0.49 1.18 0.00 -0.30 0.00 0.00 42.92 43.24 2kgt s ASP 51 CO 0.18 -3.67 2.09 1.05 -0.17 0.00 0.00 175.17 174.65 2kgt h GLU 52 N -2.28 0.15 0.00 4.34 4.11 -1.98 0.60 114.58 119.53 2kgt h GLU 52 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kgt h GLU 52 Cb 1.26 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2kgt h GLU 52 CO 0.32 0.10 0.00 0.00 0.07 0.00 0.00 179.01 179.50 2kgt h ALA 53 N 1.87 1.00 0.00 1.06 0.00 -2.03 -3.47 119.26 117.69 2kgt h ALA 53 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kgt h ALA 53 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kgt h ALA 53 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2kgt n GLY 54 N 1.12 0.76 3.67 0.00 0.00 0.20 -5.07 105.19 105.87 2kgt n GLY 54 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.94 1.56 0.65 -0.02 0.00 -1.26 -4.49 107.32 101.82 2kgt s GLY 55 Ca 0.00 1.07 -0.17 0.00 0.00 0.00 0.00 44.72 45.62 2kgt s GLY 55 CO 0.00 2.99 0.64 0.00 0.00 0.00 0.00 173.10 176.73 2kgt n ALA 56 N 6.49 -0.99 0.05 3.20 0.00 -1.26 -0.20 120.51 127.80 2kgt n ALA 56 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2kgt n ALA 56 Cb 0.42 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.04 0.00 -3.99 0.00 0.31 0.15 -4.72 118.33 108.02 2kgt n VAL 57 Ca 0.12 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.23 2kgt n VAL 57 Cb 0.49 -0.10 -0.04 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 -1.82 3.68 -0.02 3.52 0.00 -0.47 -4.96 121.76 121.70 2kgt s ALA 58 Ca 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2kgt s ALA 58 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2kgt s ALA 58 CO 0.00 0.15 -0.08 -0.65 0.00 0.00 0.00 175.76 175.19 2kgt s GLN 59 N -3.90 0.80 0.39 0.00 1.11 -1.26 -0.02 119.66 116.78 2kgt s GLN 59 Ca 0.36 -0.25 -0.12 0.00 0.01 0.00 0.00 55.36 55.35 2kgt s GLN 59 Cb -0.07 -0.77 0.05 0.00 -1.01 0.00 0.00 33.01 31.21 2kgt s GLN 59 CO 0.26 0.10 0.73 0.20 0.01 0.00 0.00 175.29 176.58 2kgt s GLY 60 N 0.18 0.66 -0.02 3.09 0.00 -0.54 -4.89 107.32 105.81 2kgt s GLY 60 Ca -0.02 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.81 2kgt s GLY 60 CO 0.00 -0.48 -0.24 -0.19 0.00 0.00 0.00 173.10 172.19 2kgt s TYR 61 N -2.33 2.18 -0.18 1.90 2.02 -1.20 -1.25 117.35 118.49 2kgt s TYR 61 Ca 0.19 -0.43 -0.14 0.00 -0.37 0.00 0.00 57.07 56.32 2kgt s TYR 61 Cb -0.04 -1.40 0.05 0.00 -0.40 0.00 0.00 41.96 40.17 2kgt s TYR 61 CO 0.14 -0.05 0.47 0.54 -1.57 0.00 0.00 175.55 175.08 2kgt s VAL 62 N -0.54 -0.01 0.58 0.71 0.11 0.86 -3.76 120.40 118.36 2kgt s VAL 62 Ca 0.09 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 58.98 2kgt s VAL 62 Cb -0.10 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2kgt s VAL 62 CO -0.01 0.01 1.12 -2.16 -3.33 0.00 0.00 175.10 170.74 2kgt s PRO 63 N 0.65 3.17 0.59 1.54 0.04 -1.26 -1.54 135.00 138.19 2kgt s PRO 63 Ca -0.03 1.53 0.39 0.00 0.04 0.00 0.00 61.00 62.93 2kgt s PRO 63 Cb -0.05 -1.99 2.00 0.00 0.04 0.00 0.00 34.50 34.51 2kgt s PRO 63 CO -0.04 -0.98 2.19 1.25 0.04 0.00 0.00 177.00 179.45 2kgt h HIS 64 N 0.79 0.00 0.00 0.56 -0.00 -1.84 -0.83 115.15 113.84 2kgt h HIS 64 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.88 2kgt h HIS 64 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.67 2kgt h HIS 64 CO 0.52 0.00 -0.01 -0.97 -0.00 0.00 0.00 177.93 177.48 2kgt h ASN 65 N 0.00 0.00 0.00 3.26 -0.73 -1.92 -3.29 115.58 112.90 2kgt h ASN 65 Ca 0.00 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.89 2kgt h ASN 65 Cb 0.15 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.70 2kgt h ASN 65 CO 0.00 0.01 -1.53 0.00 -0.37 0.00 0.00 177.43 175.53 2kgt n TYR 66 N -3.10 0.76 -3.47 0.67 9.36 -0.34 -4.94 117.16 116.11 2kgt n TYR 66 Ca 0.01 0.33 -0.35 0.00 3.32 0.00 0.00 57.90 61.21 2kgt n TYR 66 Cb 0.37 -1.06 -0.06 0.00 -0.63 0.00 0.00 39.34 37.96 2kgt n TYR 66 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kgt s LEU 67 N -7.80 4.36 0.02 2.98 1.43 -1.09 -4.47 118.68 114.10 2kgt s LEU 67 Ca -0.31 0.94 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 2kgt s LEU 67 Cb 0.08 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 2kgt s LEU 67 CO 0.55 0.16 -0.11 0.00 0.23 0.00 0.00 176.35 177.18 2kgt s ALA 68 N -1.38 0.88 0.74 4.21 0.00 0.86 -4.69 121.76 122.38 2kgt s ALA 68 Ca 0.34 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 2kgt s ALA 68 Cb -0.15 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2kgt s ALA 68 CO 0.18 0.16 1.20 -1.83 0.00 0.00 0.00 175.76 175.47 2kgt s GLU 69 N -0.80 2.10 -0.13 0.00 -1.05 -1.26 -1.34 118.70 116.22 2kgt s GLU 69 Ca 0.00 1.73 0.15 0.00 -0.15 0.00 0.00 54.97 56.71 2kgt s GLU 69 Cb -0.06 -1.83 0.37 0.00 -0.44 0.00 0.00 34.13 32.16 2kgt s GLU 69 CO 0.00 -1.86 1.18 0.54 0.95 0.00 0.00 175.26 176.07 2kgt n ARG 70 N -2.80 1.02 -0.68 -4.83 5.12 -0.92 -4.79 116.66 108.78 2kgt n ARG 70 Ca 0.13 -2.68 -0.32 0.00 -1.93 0.00 0.00 57.85 53.05 2kgt n ARG 70 Cb 0.50 -1.11 0.17 0.00 -1.16 0.00 0.00 32.46 30.87 2kgt n ARG 70 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2kgt n GLU 71 N -0.68 -1.32 0.00 5.56 -0.00 -1.26 -4.79 120.64 118.16 2kgt n GLU 71 Ca 0.14 -0.36 0.00 0.00 -0.00 0.00 0.00 57.16 56.94 2kgt n GLU 71 Cb 0.80 -1.82 0.00 0.00 -0.00 0.00 0.00 31.44 30.42 2kgt n GLU 71 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76