#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d6k s LEU 3 N 0.00 3.69 0.08 0.00 1.43 -1.26 -4.65 118.68 117.96 2d6k s LEU 3 Ca 0.00 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 2d6k s LEU 3 Cb 0.00 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2d6k s LEU 3 CO 0.00 0.21 -0.22 -0.36 0.23 0.00 0.00 176.35 176.21 2d6k s PHE 4 N -1.27 1.91 0.05 0.29 0.40 0.69 -4.89 117.98 115.15 2d6k s PHE 4 Ca 0.25 -0.40 -0.24 0.00 -0.60 0.00 0.00 56.93 55.95 2d6k s PHE 4 Cb -0.12 -1.09 -0.06 0.00 0.51 0.00 0.00 43.02 42.27 2d6k s PHE 4 CO 0.17 0.17 0.73 -1.54 0.70 0.00 0.00 175.22 175.45 2d6k s SER 5 N -1.57 7.19 0.00 1.36 1.04 -1.26 0.13 113.70 120.58 2d6k s SER 5 Ca 0.08 1.42 0.27 0.00 0.48 0.00 0.00 55.95 58.19 2d6k s SER 5 Cb -0.10 -2.45 0.76 0.00 0.10 0.00 0.00 66.02 64.34 2d6k s SER 5 CO 0.03 0.06 1.58 0.00 0.98 0.00 0.00 173.24 175.89 2d6k n ALA 6 N 2.64 2.72 0.00 5.32 0.00 0.66 -4.90 120.51 126.94 2d6k n ALA 6 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2d6k n ALA 6 Cb 0.50 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2d6k n ALA 6 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2d6k n GLN 7 N 0.22 0.00 -1.95 0.00 7.27 -1.26 -4.94 117.38 116.71 2d6k n GLN 7 Ca 0.16 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.84 2d6k n GLN 7 Cb 0.41 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.07 2d6k n GLN 7 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2d6k s SER 8 N 0.00 6.00 0.91 1.69 1.04 -1.26 -4.51 113.70 117.57 2d6k s SER 8 Ca 0.00 2.72 -0.12 0.00 0.48 0.00 0.00 55.95 59.03 2d6k s SER 8 Cb 0.00 -2.64 0.14 0.00 0.10 0.00 0.00 66.02 63.62 2d6k s SER 8 CO 0.00 -1.07 1.10 -2.16 0.98 0.00 0.00 173.24 172.09 2d6k s PRO 9 N -2.46 1.15 -0.19 4.02 0.04 -1.26 -4.90 135.00 131.40 2d6k s PRO 9 Ca 0.61 0.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 2d6k s PRO 9 Cb -0.39 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 2d6k s PRO 9 CO 0.49 -2.25 0.22 0.71 0.04 0.00 0.00 177.00 176.21 2d6k s TYR 10 N -3.07 3.42 -0.06 0.56 1.51 -0.56 -4.97 117.35 114.18 2d6k s TYR 10 Ca 0.64 0.45 0.03 0.00 -1.01 0.00 0.00 57.07 57.18 2d6k s TYR 10 Cb -0.17 -2.27 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 2d6k s TYR 10 CO 0.56 0.23 -0.15 0.42 -1.11 0.00 0.00 175.55 175.50 2d6k s ILE 11 N 0.53 3.00 -1.27 2.71 1.01 -1.26 -1.37 121.20 124.55 2d6k s ILE 11 Ca 0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 2d6k s ILE 11 Cb -0.12 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2d6k s ILE 11 CO 0.02 0.58 0.01 0.59 0.00 0.00 0.00 174.94 176.14 2d6k n ASN 12 N 2.49 0.72 -4.76 3.58 3.02 0.49 -4.86 115.26 115.93 2d6k n ASN 12 Ca -0.17 -1.05 -0.40 0.00 -0.03 0.00 0.00 54.58 52.93 2d6k n ASN 12 Cb 0.52 -1.30 -0.04 0.00 -0.61 0.00 0.00 39.78 38.35 2d6k n ASN 12 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d6k s PRO 13 N -6.61 4.50 -0.08 3.52 0.04 -1.25 -4.93 135.00 130.19 2d6k s PRO 13 Ca 0.01 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2d6k s PRO 13 Cb -0.00 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 2d6k s PRO 13 CO 0.82 0.10 1.62 0.42 0.04 0.00 0.00 177.00 180.00 2d6k s ILE 14 N -1.26 3.65 0.11 0.56 -1.09 -1.26 -4.60 121.20 117.30 2d6k s ILE 14 Ca 0.48 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.37 2d6k s ILE 14 Cb -0.31 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 36.99 2d6k s ILE 14 CO 0.39 -0.09 1.16 -0.63 -1.23 0.00 0.00 174.94 174.54 2d6k s ILE 15 N 4.17 3.95 0.02 2.92 -1.09 -1.26 -2.82 121.20 127.09 2d6k s ILE 15 Ca 0.72 1.51 -0.30 0.00 -2.23 0.00 0.00 60.65 60.34 2d6k s ILE 15 Cb -0.31 -3.96 -0.07 0.00 -1.58 0.00 0.00 42.46 36.54 2d6k s ILE 15 CO 0.28 0.18 1.57 -2.16 -1.23 0.00 0.00 174.94 173.57 2d6k s PRO 16 N 0.47 4.22 0.05 2.79 0.04 -1.26 -5.03 135.00 136.28 2d6k s PRO 16 Ca 0.55 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.78 2d6k s PRO 16 Cb -0.30 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2d6k s PRO 16 CO 0.32 -0.71 0.09 0.12 0.04 0.00 0.00 177.00 176.86 2d6k s PHE 17 N 2.86 3.24 -0.12 0.56 5.36 0.53 -4.95 117.98 125.46 2d6k s PHE 17 Ca 0.70 0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 56.75 2d6k s PHE 17 Cb -0.35 -1.67 0.06 0.00 -0.34 0.00 0.00 43.02 40.71 2d6k s PHE 17 CO 0.30 0.53 0.25 0.99 -1.46 0.00 0.00 175.22 175.83 2d6k s THR 18 N -1.33 -0.23 -0.06 0.12 2.01 -1.26 -1.05 115.64 113.84 2d6k s THR 18 Ca 0.27 0.22 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 2d6k s THR 18 Cb -0.12 -0.41 0.04 0.00 0.01 0.00 0.00 72.50 72.02 2d6k s THR 18 CO 0.20 0.09 0.46 -0.83 -0.69 0.00 0.00 174.62 173.85 2d6k s GLY 19 N 1.87 -0.33 0.66 4.40 0.00 -0.76 -5.03 107.32 108.12 2d6k s GLY 19 Ca -0.04 0.87 -0.17 0.00 0.00 0.00 0.00 44.72 45.38 2d6k s GLY 19 CO -0.08 0.61 1.24 2.56 0.00 0.00 0.00 173.10 177.42 2d6k s PRO 20 N -0.94 2.55 -0.33 2.90 0.04 -1.26 -1.37 135.00 136.58 2d6k s PRO 20 Ca -0.10 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 2d6k s PRO 20 Cb -0.03 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.70 2d6k s PRO 20 CO 0.05 -1.55 0.08 0.42 0.04 0.00 0.00 177.00 176.04 2d6k s ILE 21 N -1.67 3.33 0.03 0.56 1.01 0.03 -4.76 121.20 119.73 2d6k s ILE 21 Ca 0.78 -1.42 -0.36 0.00 0.00 0.00 0.00 60.65 59.66 2d6k s ILE 21 Cb -0.32 -2.97 -0.15 0.00 0.01 0.00 0.00 42.46 39.03 2d6k s ILE 21 CO 0.39 -0.24 1.59 1.67 0.00 0.00 0.00 174.94 178.35 2d6k n GLN 22 N 4.69 1.74 -0.51 2.79 7.27 -1.26 -1.73 117.38 130.36 2d6k n GLN 22 Ca -0.11 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.59 2d6k n GLN 22 Cb 0.43 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.72 2d6k n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2d6k n GLY 23 N 3.44 1.33 0.00 1.69 0.00 -1.26 -4.81 105.19 105.59 2d6k n GLY 23 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2d6k n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6k n GLY 24 N -2.00 -1.60 3.59 -0.02 0.00 -0.70 -4.87 105.19 99.58 2d6k n GLY 24 Ca 0.00 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 2d6k n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d6k n LEU 25 N -2.13 3.08 -3.71 0.99 4.77 -0.63 -4.99 117.00 114.38 2d6k n LEU 25 Ca 0.00 0.81 -0.12 0.00 -0.03 0.00 0.00 56.01 56.66 2d6k n LEU 25 Cb 0.00 -1.35 -0.07 0.00 -2.33 0.00 0.00 43.42 39.67 2d6k n LEU 25 CO 0.00 -2.05 0.09 0.00 -1.33 0.00 0.00 177.39 174.10 2d6k s GLN 26 N -2.58 0.85 0.25 3.23 -2.07 -1.26 -4.53 119.66 113.54 2d6k s GLN 26 Ca 0.74 -0.39 -0.31 0.00 -1.82 0.00 0.00 55.36 53.57 2d6k s GLN 26 Cb -0.43 0.38 -0.12 0.00 -1.09 0.00 0.00 33.01 31.74 2d6k s GLN 26 CO 0.49 -0.28 1.59 -1.91 -1.32 0.00 0.00 175.29 173.86 2d6k n GLU 27 N 0.63 2.52 -0.34 9.60 2.13 -1.26 -1.32 120.64 132.60 2d6k n GLU 27 Ca -0.19 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2d6k n GLU 27 Cb 0.59 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.63 2d6k n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d6k n GLY 28 N 2.75 1.44 3.72 8.31 0.00 0.15 -4.99 105.19 116.57 2d6k n GLY 28 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2d6k n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d6k s LEU 29 N 0.00 4.38 -0.20 0.99 2.96 -0.43 -4.14 118.68 122.24 2d6k s LEU 29 Ca 0.00 2.41 -0.03 0.00 -0.22 0.00 0.00 54.13 56.29 2d6k s LEU 29 Cb 0.00 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 2d6k s LEU 29 CO 0.00 -0.67 -0.08 -1.58 -1.32 0.00 0.00 176.35 172.70 2d6k s GLN 30 N 0.88 3.34 -0.26 1.98 0.74 0.21 -1.55 119.66 125.00 2d6k s GLN 30 Ca 0.64 -0.66 -0.06 0.00 0.05 0.00 0.00 55.36 55.34 2d6k s GLN 30 Cb -0.38 -2.88 -0.00 0.00 1.10 0.00 0.00 33.01 30.84 2d6k s GLN 30 CO 0.32 -0.11 0.04 0.08 -0.55 0.00 0.00 175.29 175.08 2d6k s VAL 31 N 1.20 3.87 -0.14 1.34 1.01 0.17 -0.90 120.40 126.96 2d6k s VAL 31 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2d6k s VAL 31 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2d6k s VAL 31 CO -0.03 0.24 -0.14 -0.89 0.00 0.00 0.00 175.10 174.28 2d6k s THR 32 N 1.52 2.94 -0.18 3.92 2.01 -0.72 -0.56 115.64 124.57 2d6k s THR 32 Ca 0.04 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 2d6k s THR 32 Cb -0.16 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 2d6k s THR 32 CO 0.01 0.52 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.59 2d6k s LEU 33 N 0.47 2.64 -0.16 4.42 1.02 0.14 -0.72 118.68 126.48 2d6k s LEU 33 Ca -0.10 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.61 2d6k s LEU 33 Cb -0.16 -1.63 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 2d6k s LEU 33 CO 0.05 0.05 -0.12 -1.58 0.02 0.00 0.00 176.35 174.76 2d6k s GLN 34 N 1.05 3.31 0.03 1.70 2.00 -0.57 -0.65 119.66 126.53 2d6k s GLN 34 Ca -0.00 -0.70 -0.05 0.00 -2.00 0.00 0.00 55.36 52.60 2d6k s GLN 34 Cb -0.15 -2.72 0.02 0.00 0.80 0.00 0.00 33.01 30.96 2d6k s GLN 34 CO -0.02 0.03 0.25 0.41 -0.50 0.00 0.00 175.29 175.45 2d6k n GLY 35 N 4.07 0.94 3.00 2.59 0.00 -1.07 0.58 105.19 115.29 2d6k n GLY 35 Ca -0.19 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 2d6k n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d6k s THR 36 N -2.35 0.97 0.06 2.61 2.01 0.18 -0.86 115.64 118.26 2d6k s THR 36 Ca 0.06 -0.40 -0.31 0.00 0.31 0.00 0.00 61.69 61.35 2d6k s THR 36 Cb -0.00 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 2d6k s THR 36 CO 0.01 0.31 1.22 -0.89 -0.69 0.00 0.00 174.62 174.58 2d6k s THR 37 N 0.60 3.98 0.79 -0.82 2.01 -1.10 0.25 115.64 121.37 2d6k s THR 37 Ca -0.12 1.42 -0.13 0.00 0.31 0.00 0.00 61.69 63.17 2d6k s THR 37 Cb -0.14 -3.91 0.08 0.00 0.01 0.00 0.00 72.50 68.53 2d6k s THR 37 CO 0.02 0.10 1.19 -0.54 -0.69 0.00 0.00 174.62 174.70 2d6k s LYS 38 N 1.13 1.76 0.54 4.92 1.02 -0.87 0.01 119.74 128.25 2d6k s LYS 38 Ca 0.59 1.68 0.27 0.00 0.02 0.00 0.00 55.97 58.53 2d6k s LYS 38 Cb -0.30 -1.80 1.53 0.00 -0.52 0.00 0.00 37.83 36.74 2d6k s LYS 38 CO 0.29 -2.10 2.12 0.77 -0.92 0.00 0.00 175.35 175.50 2d6k h SER 39 N -0.86 0.00 0.00 2.83 0.02 -1.90 -2.42 113.55 111.22 2d6k h SER 39 Ca -0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 2d6k h SER 39 Cb 1.29 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.73 2d6k h SER 39 CO 0.47 0.09 -0.52 0.49 -1.14 0.00 0.00 176.83 176.22 2d6k n PHE 40 N -3.72 0.00 -1.63 3.45 3.72 -1.26 -4.46 117.46 113.56 2d6k n PHE 40 Ca -0.02 -1.01 -0.44 0.00 -0.05 0.00 0.00 57.45 55.93 2d6k n PHE 40 Cb 0.20 -0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 38.54 2d6k n PHE 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d6k n ALA 41 N -0.69 0.34 -0.06 4.37 0.00 -0.94 -4.93 120.51 118.60 2d6k n ALA 41 Ca 0.13 0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.89 2d6k n ALA 41 Cb 0.79 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 2d6k n ALA 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2d6k n GLN 42 N 0.76 0.87 -3.53 0.00 6.02 -1.26 -4.70 117.38 115.53 2d6k n GLN 42 Ca 0.08 0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 56.96 2d6k n GLN 42 Cb 0.33 -1.23 -0.05 0.00 1.02 0.00 0.00 30.24 30.30 2d6k n GLN 42 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d6k s ARG 43 N -2.23 1.07 0.27 -1.09 0.52 -1.26 0.48 118.95 116.71 2d6k s ARG 43 Ca -0.13 -0.01 -0.00 0.00 -0.52 0.00 0.00 55.73 55.07 2d6k s ARG 43 Cb 0.04 0.50 -0.02 0.00 0.52 0.00 0.00 34.95 35.98 2d6k s ARG 43 CO 0.30 -0.37 0.28 -0.59 0.02 0.00 0.00 175.30 174.94 2d6k s PHE 44 N -1.92 1.24 -0.05 -0.53 -0.12 -1.02 -0.13 117.98 115.45 2d6k s PHE 44 Ca -0.08 -1.38 -0.02 0.00 -0.05 0.00 0.00 56.93 55.40 2d6k s PHE 44 Cb -0.01 -0.43 0.03 0.00 -0.63 0.00 0.00 43.02 41.99 2d6k s PHE 44 CO 0.03 -0.85 0.11 0.08 -0.05 0.00 0.00 175.22 174.54 2d6k s VAL 45 N -3.70 -0.04 -0.17 -2.49 1.01 0.20 -3.05 120.40 112.16 2d6k s VAL 45 Ca 0.36 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2d6k s VAL 45 Cb 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.23 2d6k s VAL 45 CO 0.18 0.07 -0.20 -0.69 0.00 0.00 0.00 175.10 174.46 2d6k s VAL 46 N 0.97 2.17 -0.09 2.92 1.01 0.17 -1.31 120.40 126.24 2d6k s VAL 46 Ca -0.08 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2d6k s VAL 46 Cb -0.10 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 2d6k s VAL 46 CO -0.04 0.54 -0.16 0.20 0.00 0.00 0.00 175.10 175.63 2d6k s ASN 47 N 1.09 3.78 -0.38 3.32 0.01 0.36 -0.32 114.94 122.81 2d6k s ASN 47 Ca 0.00 -0.33 -0.10 0.00 -0.71 0.00 0.00 52.86 51.72 2d6k s ASN 47 Cb -0.14 -1.18 0.04 0.00 0.41 0.00 0.00 41.25 40.37 2d6k s ASN 47 CO -0.08 0.24 0.19 -0.36 -1.51 0.00 0.00 177.10 175.59 2d6k s PHE 48 N -0.12 3.26 0.38 2.20 0.08 0.37 -0.97 117.98 123.17 2d6k s PHE 48 Ca -0.02 -1.15 0.03 0.00 0.12 0.00 0.00 56.93 55.90 2d6k s PHE 48 Cb -0.14 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.81 2d6k s PHE 48 CO 0.04 -0.70 0.11 0.00 -0.10 0.00 0.00 175.22 174.56 2d6k n GLN 49 N 4.95 0.67 0.00 0.44 10.64 -0.54 -1.23 117.38 132.31 2d6k n GLN 49 Ca -0.12 -3.11 0.00 0.00 -1.83 0.00 0.00 57.00 51.94 2d6k n GLN 49 Cb 0.45 1.53 0.00 0.00 -0.86 0.00 0.00 30.24 31.36 2d6k n GLN 49 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2d6k n ASN 50 N -1.52 0.00 0.00 2.61 4.05 -1.15 -2.56 115.26 116.68 2d6k n ASN 50 Ca -0.08 0.27 0.00 0.00 0.45 0.00 0.00 54.58 55.23 2d6k n ASN 50 Cb 0.55 -0.37 0.00 0.00 1.23 0.00 0.00 39.78 41.19 2d6k n ASN 50 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2d6k n SER 51 N -1.80 0.19 0.00 1.20 3.41 -1.26 -3.80 113.62 111.57 2d6k n SER 51 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 2d6k n SER 51 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2d6k n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d6k n GLY 54 N -0.05 0.76 0.17 5.00 0.00 -1.26 -5.00 105.19 104.81 2d6k n GLY 54 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2d6k n GLY 54 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2d6k h ASN 55 N 0.00 0.74 -3.77 1.61 -0.00 -2.01 -3.42 115.58 108.73 2d6k h ASN 55 Ca 0.00 -0.77 -0.68 0.00 -0.00 0.00 0.00 56.30 54.86 2d6k h ASN 55 Cb 0.00 -0.23 -0.35 0.00 -0.00 0.00 0.00 38.32 37.74 2d6k h ASN 55 CO 0.00 1.41 -0.76 -1.81 -0.00 0.00 0.00 177.43 176.28 2d6k s ASP 56 N -7.08 4.57 -0.32 1.15 1.01 -1.26 -2.43 116.67 112.31 2d6k s ASP 56 Ca -0.11 -1.27 -0.01 0.00 0.71 0.00 0.00 52.55 51.87 2d6k s ASP 56 Cb 0.05 -1.62 0.07 0.00 1.01 0.00 0.00 42.92 42.43 2d6k s ASP 56 CO 0.88 -0.21 0.04 -0.63 0.21 0.00 0.00 175.17 175.46 2d6k s ILE 57 N 1.19 2.86 0.32 0.77 1.01 -0.46 -2.94 121.20 123.95 2d6k s ILE 57 Ca -0.06 -1.68 -0.00 0.00 0.00 0.00 0.00 60.65 58.91 2d6k s ILE 57 Cb -0.19 -2.77 0.26 0.00 0.01 0.00 0.00 42.46 39.76 2d6k s ILE 57 CO -0.04 -0.28 1.98 0.00 0.00 0.00 0.00 174.94 176.60 2d6k h ALA 58 N 7.93 1.45 -2.61 9.38 0.00 -1.39 0.10 119.26 134.12 2d6k h ALA 58 Ca -0.17 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2d6k h ALA 58 Cb 1.05 -0.30 -0.29 0.00 0.00 0.00 0.00 17.79 18.26 2d6k h ALA 58 CO 0.56 0.50 -0.40 0.12 0.00 0.00 0.00 179.25 180.02 2d6k s PHE 59 N -5.81 -0.69 -0.17 0.00 5.36 -1.09 -4.57 117.98 111.01 2d6k s PHE 59 Ca -0.11 1.37 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 2d6k s PHE 59 Cb 0.18 0.22 0.02 0.00 -0.34 0.00 0.00 43.02 43.10 2d6k s PHE 59 CO 0.78 -0.44 -0.19 -1.58 -1.46 0.00 0.00 175.22 172.34 2d6k s HIS 60 N 2.45 2.64 -0.23 10.12 5.65 -0.21 -0.48 115.29 135.23 2d6k s HIS 60 Ca -0.02 -1.54 0.02 0.00 0.25 0.00 0.00 55.06 53.77 2d6k s HIS 60 Cb -0.12 -1.84 0.04 0.00 -1.18 0.00 0.00 32.58 29.48 2d6k s HIS 60 CO -0.12 -0.77 -0.14 0.12 -0.65 0.00 0.00 174.74 173.18 2d6k s PHE 61 N 1.32 3.06 -0.38 3.88 5.36 0.56 -2.40 117.98 129.38 2d6k s PHE 61 Ca 0.05 -2.00 0.02 0.00 -0.96 0.00 0.00 56.93 54.03 2d6k s PHE 61 Cb -0.13 -1.94 0.15 0.00 -0.34 0.00 0.00 43.02 40.76 2d6k s PHE 61 CO -0.12 -0.84 0.26 1.21 -1.46 0.00 0.00 175.22 174.27 2d6k s ASN 62 N 1.19 2.51 0.28 6.13 2.47 -0.81 -0.65 114.94 126.05 2d6k s ASN 62 Ca -0.03 -2.54 -0.29 0.00 0.42 0.00 0.00 52.86 50.42 2d6k s ASN 62 Cb -0.17 -0.47 -0.10 0.00 -1.45 0.00 0.00 41.25 39.07 2d6k s ASN 62 CO -0.08 -0.26 1.25 -2.84 -3.72 0.00 0.00 177.10 171.46 2d6k s PRO 63 N 0.64 4.44 -0.12 0.43 0.02 -1.17 -1.36 135.00 137.89 2d6k s PRO 63 Ca 0.23 2.06 -0.00 0.00 0.02 0.00 0.00 61.00 63.31 2d6k s PRO 63 Cb -0.14 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.27 2d6k s PRO 63 CO -0.06 -0.10 -0.08 1.03 -0.33 0.00 0.00 177.00 177.45 2d6k s ARG 64 N -1.18 1.60 -1.14 5.54 0.52 0.61 -2.45 118.95 122.45 2d6k s ARG 64 Ca 0.50 -0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 55.36 2d6k s ARG 64 Cb -0.37 -1.63 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 2d6k s ARG 64 CO 0.45 -0.26 2.88 1.19 0.02 0.00 0.00 175.30 179.58 2d6k n PHE 65 N 4.91 1.98 -4.26 -0.53 3.72 0.18 -2.09 117.46 121.37 2d6k n PHE 65 Ca -0.13 -2.62 -0.20 0.00 -0.05 0.00 0.00 57.45 54.45 2d6k n PHE 65 Cb 0.50 -2.02 -0.12 0.00 -0.94 0.00 0.00 39.48 36.90 2d6k n PHE 65 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2d6k s GLU 66 N 0.53 1.07 -1.48 -1.08 2.02 -1.26 -4.78 118.70 113.72 2d6k s GLU 66 Ca 0.63 -1.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.36 2d6k s GLU 66 Cb 0.23 -1.09 0.02 0.00 0.10 0.00 0.00 34.13 33.38 2d6k s GLU 66 CO -0.08 0.23 0.42 0.39 0.02 0.00 0.00 175.26 176.23 2d6k n GLU 67 N 0.69 -3.76 0.00 1.61 1.02 -1.26 -0.84 120.64 118.10 2d6k n GLU 67 Ca -0.17 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2d6k n GLU 67 Cb 0.56 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 2d6k n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d6k n GLY 68 N -1.29 0.03 0.12 0.62 0.00 -1.26 -4.86 105.19 98.55 2d6k n GLY 68 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2d6k n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6k n GLY 69 N -1.98 0.25 3.75 -0.02 0.00 -0.02 -4.72 105.19 102.45 2d6k n GLY 69 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2d6k n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d6k s TYR 70 N 0.00 -0.05 -0.04 1.61 -0.85 -0.89 -3.44 117.35 113.69 2d6k s TYR 70 Ca 0.00 -0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.21 2d6k s TYR 70 Cb 0.00 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.89 2d6k s TYR 70 CO 0.00 -1.14 -0.14 0.08 -1.52 0.00 0.00 175.55 172.83 2d6k s VAL 71 N -3.94 1.20 -0.26 -3.49 1.01 -0.87 -0.28 120.40 113.77 2d6k s VAL 71 Ca 0.14 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 2d6k s VAL 71 Cb -0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2d6k s VAL 71 CO 0.06 0.36 0.16 -0.69 0.00 0.00 0.00 175.10 174.99 2d6k s VAL 72 N 0.24 5.21 -0.09 2.92 1.01 -0.47 -1.34 120.40 127.89 2d6k s VAL 72 Ca -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2d6k s VAL 72 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2d6k s VAL 72 CO 0.02 0.30 0.01 0.00 0.00 0.00 0.00 175.10 175.43 2d6k s ASN 74 N -0.80 -0.26 0.06 0.00 3.84 -1.01 -1.06 114.94 115.71 2d6k s ASN 74 Ca 0.12 -0.50 0.05 0.00 0.21 0.00 0.00 52.86 52.74 2d6k s ASN 74 Cb -0.11 0.65 -0.03 0.00 -0.55 0.00 0.00 41.25 41.21 2d6k s ASN 74 CO 0.02 -1.19 -0.15 -0.89 -2.79 0.00 0.00 177.10 172.10 2d6k s THR 75 N -3.72 1.20 -0.09 -5.21 2.01 -1.26 -1.04 115.64 107.52 2d6k s THR 75 Ca 0.11 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 60.89 2d6k s THR 75 Cb -0.04 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.36 2d6k s THR 75 CO 0.04 -0.11 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.00 2d6k s LYS 76 N -1.54 1.66 -0.08 4.92 2.20 0.35 -1.45 119.74 125.81 2d6k s LYS 76 Ca 0.01 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2d6k s LYS 76 Cb -0.09 -1.53 0.01 0.00 -1.51 0.00 0.00 37.83 34.70 2d6k s LYS 76 CO 0.02 -0.12 -0.17 -0.65 -0.36 0.00 0.00 175.35 174.07 2d6k s GLN 77 N 1.18 2.20 -1.63 4.03 -0.21 0.03 -1.35 119.66 123.92 2d6k s GLN 77 Ca -0.05 -0.59 -0.07 0.00 0.02 0.00 0.00 55.36 54.68 2d6k s GLN 77 Cb -0.14 -1.74 0.07 0.00 1.00 0.00 0.00 33.01 32.19 2d6k s GLN 77 CO -0.03 0.08 0.24 0.09 -2.12 0.00 0.00 175.29 173.55 2d6k n ASN 78 N 3.72 -0.11 0.00 5.90 3.02 -1.24 0.83 115.26 127.38 2d6k n ASN 78 Ca -0.21 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 2d6k n ASN 78 Cb 0.52 -1.82 0.00 0.00 -0.61 0.00 0.00 39.78 37.87 2d6k n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d6k n GLY 79 N -2.08 1.24 3.54 7.41 0.00 -1.02 -5.00 105.19 109.28 2d6k n GLY 79 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2d6k n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d6k s GLN 80 N -0.09 3.82 0.10 1.61 -1.52 0.24 -5.09 119.66 118.74 2d6k s GLN 80 Ca 0.00 -0.41 -0.30 0.00 -1.95 0.00 0.00 55.36 52.70 2d6k s GLN 80 Cb 0.00 -3.33 -0.06 0.00 -0.22 0.00 0.00 33.01 29.40 2d6k s GLN 80 CO 0.00 -0.01 1.20 -1.58 -0.25 0.00 0.00 175.29 174.64 2d6k s TRP 81 N 1.16 3.44 0.22 0.91 0.52 -1.26 -0.79 118.94 123.15 2d6k s TRP 81 Ca 0.05 1.34 -0.04 0.00 0.02 0.00 0.00 56.10 57.48 2d6k s TRP 81 Cb -0.14 -3.42 0.05 0.00 -1.15 0.00 0.00 33.47 28.81 2d6k s TRP 81 CO 0.04 -1.24 0.29 0.41 0.02 0.00 0.00 176.95 176.47 2d6k n GLY 82 N 2.88 -1.40 3.75 0.98 0.00 -0.53 -5.00 105.19 105.87 2d6k n GLY 82 Ca 0.07 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2d6k n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d6k s PRO 83 N -3.63 4.40 0.34 1.61 0.04 -1.26 -4.84 135.00 131.67 2d6k s PRO 83 Ca 0.16 2.08 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 2d6k s PRO 83 Cb -0.01 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 2d6k s PRO 83 CO 0.12 -0.18 0.90 -1.21 0.04 0.00 0.00 177.00 176.66 2d6k s GLU 84 N -0.77 4.39 -0.27 4.56 2.02 -1.26 -4.78 118.70 122.58 2d6k s GLU 84 Ca 0.53 1.16 -0.03 0.00 0.02 0.00 0.00 54.97 56.64 2d6k s GLU 84 Cb -0.37 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.29 2d6k s GLU 84 CO 0.43 0.19 -0.00 -1.21 0.02 0.00 0.00 175.26 174.69 2d6k s GLU 85 N -2.46 2.86 -0.22 1.61 2.02 -0.23 -4.99 118.70 117.30 2d6k s GLU 85 Ca 0.53 -0.98 -0.07 0.00 0.02 0.00 0.00 54.97 54.47 2d6k s GLU 85 Cb -0.15 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 2d6k s GLU 85 CO 0.20 -0.45 0.06 1.03 0.02 0.00 0.00 175.26 176.12 2d6k s ARG 86 N 1.37 3.76 -0.41 1.61 0.52 -1.26 -0.83 118.95 123.72 2d6k s ARG 86 Ca 0.00 -0.44 -0.17 0.00 -0.52 0.00 0.00 55.73 54.60 2d6k s ARG 86 Cb -0.17 -3.25 0.01 0.00 0.52 0.00 0.00 34.95 32.06 2d6k s ARG 86 CO -0.02 -0.00 0.46 0.21 0.02 0.00 0.00 175.30 175.97 2d6k s LYS 87 N 1.11 3.24 -1.47 3.54 2.47 -0.45 -4.97 119.74 123.21 2d6k s LYS 87 Ca 0.04 -0.60 -0.10 0.00 -1.56 0.00 0.00 55.97 53.74 2d6k s LYS 87 Cb -0.14 -3.93 0.02 0.00 -1.46 0.00 0.00 37.83 32.32 2d6k s LYS 87 CO 0.03 -0.81 2.50 -1.33 0.16 0.00 0.00 175.35 175.91 2d6k n MET 88 N 5.67 3.64 -3.49 4.03 2.81 -1.26 -2.04 117.12 126.48 2d6k n MET 88 Ca -0.07 -2.74 -0.16 0.00 -1.81 0.00 0.00 57.70 52.93 2d6k n MET 88 Cb 0.48 -2.92 -0.05 0.00 -0.71 0.00 0.00 33.22 30.03 2d6k n MET 88 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2d6k s GLN 89 N 1.54 1.12 -0.34 0.03 -2.07 -1.23 -4.95 119.66 113.76 2d6k s GLN 89 Ca 0.56 0.00 -0.03 0.00 -1.82 0.00 0.00 55.36 54.07 2d6k s GLN 89 Cb 0.16 0.52 0.07 0.00 -1.09 0.00 0.00 33.01 32.67 2d6k s GLN 89 CO -0.07 -0.40 0.09 1.41 -1.32 0.00 0.00 175.29 175.00 2d6k s MET 90 N -2.08 2.32 0.00 9.60 -2.45 -1.22 -4.02 119.30 121.45 2d6k s MET 90 Ca -0.06 -1.44 0.27 0.00 -1.25 0.00 0.00 55.69 53.21 2d6k s MET 90 Cb -0.00 -3.37 0.84 0.00 1.25 0.00 0.00 34.83 33.54 2d6k s MET 90 CO 0.02 -0.78 1.63 -0.35 1.05 0.00 0.00 175.02 176.59 2d6k n PRO 91 N 4.65 0.24 -3.08 4.11 -0.04 -1.26 -4.88 135.00 134.73 2d6k n PRO 91 Ca -0.09 -0.11 -0.19 0.00 -0.04 0.00 0.00 63.50 63.07 2d6k n PRO 91 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 2d6k n PRO 91 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2d6k s PHE 92 N -2.84 2.96 -0.02 0.54 0.08 -1.26 -4.98 117.98 112.46 2d6k s PHE 92 Ca 0.17 -0.20 -0.00 0.00 0.12 0.00 0.00 56.93 57.02 2d6k s PHE 92 Cb 0.19 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.34 2d6k s PHE 92 CO 0.60 -0.37 0.04 -0.65 -0.10 0.00 0.00 175.22 174.74 2d6k s GLN 93 N -4.40 -0.02 0.29 0.44 -0.21 -1.26 -5.11 119.66 109.40 2d6k s GLN 93 Ca 0.52 0.20 -0.30 0.00 0.02 0.00 0.00 55.36 55.80 2d6k s GLN 93 Cb -0.10 -0.22 -0.12 0.00 1.00 0.00 0.00 33.01 33.57 2d6k s GLN 93 CO 0.34 -0.16 1.52 1.63 -2.12 0.00 0.00 175.29 176.50 2d6k n LYS 94 N 4.10 2.49 0.00 2.91 5.02 -1.26 -1.76 118.16 129.66 2d6k n LYS 94 Ca -0.26 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2d6k n LYS 94 Cb 0.51 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 2d6k n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d6k n GLY 95 N 1.90 2.79 3.90 0.72 0.00 0.10 -4.84 105.19 109.76 2d6k n GLY 95 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2d6k n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d6k s MET 96 N -0.35 3.44 0.77 1.61 -1.94 -0.72 -4.82 119.30 117.29 2d6k s MET 96 Ca 0.00 -0.26 -0.11 0.00 -1.71 0.00 0.00 55.69 53.61 2d6k s MET 96 Cb 0.00 -3.13 0.06 0.00 2.01 0.00 0.00 34.83 33.77 2d6k s MET 96 CO 0.00 0.71 1.10 -1.25 -0.01 0.00 0.00 175.02 175.57 2d6k s PRO 97 N -1.65 2.21 0.05 2.03 0.04 -1.26 -2.70 135.00 133.72 2d6k s PRO 97 Ca 0.23 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 2d6k s PRO 97 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2d6k s PRO 97 CO 0.14 -1.69 0.18 -0.59 0.04 0.00 0.00 177.00 175.08 2d6k s PHE 98 N -2.78 0.09 -0.14 0.56 -0.12 -0.04 -4.93 117.98 110.61 2d6k s PHE 98 Ca 0.63 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.14 2d6k s PHE 98 Cb -0.18 -0.05 -0.01 0.00 -0.63 0.00 0.00 43.02 42.15 2d6k s PHE 98 CO 0.54 -0.45 -0.15 -2.00 -0.05 0.00 0.00 175.22 173.11 2d6k s GLU 99 N -2.89 3.25 -0.17 1.99 2.12 -1.26 -2.61 118.70 119.13 2d6k s GLU 99 Ca -0.03 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.57 2d6k s GLU 99 Cb 0.00 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.82 2d6k s GLU 99 CO -0.06 0.09 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.43 2d6k s LEU 100 N 0.64 1.97 -0.07 2.70 2.96 0.18 0.13 118.68 127.19 2d6k s LEU 100 Ca -0.08 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.25 2d6k s LEU 100 Cb -0.16 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 2d6k s LEU 100 CO 0.02 -0.06 -0.24 0.00 -1.32 0.00 0.00 176.35 174.76 2d6k s PHE 102 N 0.06 2.97 -0.26 0.00 0.08 0.27 -1.10 117.98 120.00 2d6k s PHE 102 Ca -0.10 -1.23 -0.09 0.00 0.12 0.00 0.00 56.93 55.64 2d6k s PHE 102 Cb -0.15 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 2d6k s PHE 102 CO 0.05 -0.64 0.11 -1.17 -0.10 0.00 0.00 175.22 173.48 2d6k s LEU 103 N 1.41 3.66 -0.62 -0.37 2.96 0.13 -0.66 118.68 125.20 2d6k s LEU 103 Ca 0.04 -0.16 -0.27 0.00 -0.22 0.00 0.00 54.13 53.52 2d6k s LEU 103 Cb -0.15 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.58 2d6k s LEU 103 CO -0.05 -0.05 1.17 -0.69 -1.32 0.00 0.00 176.35 175.42 2d6k s VAL 104 N 1.66 4.01 0.52 1.68 1.01 -0.60 -0.52 120.40 128.16 2d6k s VAL 104 Ca 0.07 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.80 2d6k s VAL 104 Cb -0.15 -4.75 0.05 0.00 0.00 0.00 0.00 36.38 31.53 2d6k s VAL 104 CO 0.06 -1.44 0.63 -1.10 0.00 0.00 0.00 175.10 173.25 2d6k s GLN 105 N 4.98 2.42 0.19 2.72 -0.21 0.14 0.33 119.66 130.23 2d6k s GLN 105 Ca 0.39 -1.63 -0.12 0.00 0.02 0.00 0.00 55.36 54.02 2d6k s GLN 105 Cb -0.09 -2.53 0.16 0.00 1.00 0.00 0.00 33.01 31.55 2d6k s GLN 105 CO 0.22 -0.63 1.78 -0.09 -2.12 0.00 0.00 175.29 174.45 2d6k h ARG 106 N 0.47 0.48 0.00 2.91 2.43 -1.98 -3.27 114.38 115.42 2d6k h ARG 106 Ca -0.34 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2d6k h ARG 106 Cb 1.29 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2d6k h ARG 106 CO 0.47 0.32 -1.08 0.43 -1.51 0.00 0.00 179.97 178.59 2d6k n SER 107 N -4.90 1.72 -3.72 -3.80 7.64 -1.26 -4.93 113.62 104.38 2d6k n SER 107 Ca 0.05 -0.30 -0.10 0.00 1.01 0.00 0.00 58.87 59.53 2d6k n SER 107 Cb 0.16 1.29 -0.06 0.00 -1.01 0.00 0.00 64.21 64.59 2d6k n SER 107 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2d6k s GLU 108 N -2.43 0.99 0.03 1.43 1.03 -1.23 -1.53 118.70 116.99 2d6k s GLU 108 Ca -0.01 -0.80 -0.28 0.00 0.03 0.00 0.00 54.97 53.91 2d6k s GLU 108 Cb 0.07 0.42 -0.05 0.00 -0.80 0.00 0.00 34.13 33.78 2d6k s GLU 108 CO 0.43 -0.36 0.87 -0.06 -1.33 0.00 0.00 175.26 174.82 2d6k s PHE 109 N -3.83 3.71 -0.15 4.83 0.08 -0.33 -0.68 117.98 121.61 2d6k s PHE 109 Ca 0.04 1.60 -0.07 0.00 0.12 0.00 0.00 56.93 58.61 2d6k s PHE 109 Cb 0.03 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 2d6k s PHE 109 CO -0.12 0.14 0.10 0.15 -0.10 0.00 0.00 175.22 175.40 2d6k s LYS 110 N 0.41 3.68 -0.16 0.44 -0.14 0.32 -1.37 119.74 122.92 2d6k s LYS 110 Ca 0.45 -0.23 0.01 0.00 -1.36 0.00 0.00 55.97 54.83 2d6k s LYS 110 Cb -0.21 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 2d6k s LYS 110 CO 0.26 0.55 -0.17 0.08 -0.76 0.00 0.00 175.35 175.30 2d6k s VAL 111 N -0.37 2.47 0.08 3.17 1.01 0.50 -0.69 120.40 126.56 2d6k s VAL 111 Ca 0.11 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.32 2d6k s VAL 111 Cb -0.12 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2d6k s VAL 111 CO 0.01 0.52 -0.10 0.00 0.00 0.00 0.00 175.10 175.53 2d6k s MET 112 N 0.96 2.21 -0.14 2.72 0.23 -0.26 0.23 119.30 125.25 2d6k s MET 112 Ca -0.03 -0.95 -0.00 0.00 -1.03 0.00 0.00 55.69 53.68 2d6k s MET 112 Cb -0.15 -2.33 0.03 0.00 -1.53 0.00 0.00 34.83 30.85 2d6k s MET 112 CO -0.03 0.53 -0.10 0.08 -2.03 0.00 0.00 175.02 173.47 2d6k s VAL 113 N -1.14 1.32 -1.31 5.16 1.01 0.04 -0.88 120.40 124.61 2d6k s VAL 113 Ca 0.20 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2d6k s VAL 113 Cb -0.11 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2d6k s VAL 113 CO 0.11 0.34 0.90 0.59 0.00 0.00 0.00 175.10 177.04 2d6k n ASN 114 N 4.84 -2.57 -0.67 3.32 3.02 0.36 -1.96 115.26 121.59 2d6k n ASN 114 Ca -0.14 -0.71 -0.09 0.00 -0.03 0.00 0.00 54.58 53.61 2d6k n ASN 114 Cb 0.49 -4.51 -0.04 0.00 -0.61 0.00 0.00 39.78 35.11 2d6k n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d6k n LYS 115 N -4.37 -1.01 -4.52 3.52 5.02 -1.26 -5.00 118.16 110.54 2d6k n LYS 115 Ca -0.21 0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 56.62 2d6k n LYS 115 Cb 0.64 -4.76 -0.15 0.00 -0.02 0.00 0.00 35.03 30.74 2d6k n LYS 115 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2d6k s LYS 116 N -2.50 0.99 0.15 1.97 1.02 -0.83 -5.11 119.74 115.43 2d6k s LYS 116 Ca 0.00 -0.42 -0.34 0.00 0.02 0.00 0.00 55.97 55.23 2d6k s LYS 116 Cb 0.00 -0.95 -0.15 0.00 -0.52 0.00 0.00 37.83 36.22 2d6k s LYS 116 CO 0.00 0.24 1.47 0.34 -0.92 0.00 0.00 175.35 176.47 2d6k n PHE 117 N 2.86 1.99 -0.01 3.18 7.35 -1.26 -0.78 117.46 130.80 2d6k n PHE 117 Ca -0.15 0.42 -0.05 0.00 -0.76 0.00 0.00 57.45 56.91 2d6k n PHE 117 Cb 0.56 -2.46 -0.02 0.00 0.35 0.00 0.00 39.48 37.91 2d6k n PHE 117 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2d6k n PHE 118 N 2.88 0.00 -3.94 -5.13 7.35 0.14 -4.82 117.46 113.94 2d6k n PHE 118 Ca 0.17 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.77 2d6k n PHE 118 Cb 0.26 -0.22 -0.07 0.00 0.35 0.00 0.00 39.48 39.80 2d6k n PHE 118 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2d6k s VAL 119 N -2.30 0.11 0.20 -2.13 -7.23 -1.16 -5.03 120.40 102.85 2d6k s VAL 119 Ca -0.11 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 58.79 2d6k s VAL 119 Cb 0.02 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 2d6k s VAL 119 CO 0.16 -0.49 -0.04 -1.10 -0.31 0.00 0.00 175.10 173.32 2d6k s GLN 120 N -3.93 2.25 -0.22 4.82 -0.21 -1.26 -0.37 119.66 120.74 2d6k s GLN 120 Ca 0.12 -1.24 -0.04 0.00 0.02 0.00 0.00 55.36 54.23 2d6k s GLN 120 Cb 0.04 -2.24 0.11 0.00 1.00 0.00 0.00 33.01 31.92 2d6k s GLN 120 CO -0.05 0.43 0.28 -0.47 -2.12 0.00 0.00 175.29 173.36 2d6k s TYR 121 N -1.85 -0.49 0.32 0.91 5.04 -0.47 -4.97 117.35 115.85 2d6k s TYR 121 Ca 0.27 0.49 -0.29 0.00 -2.44 0.00 0.00 57.07 55.10 2d6k s TYR 121 Cb -0.08 -0.20 -0.10 0.00 0.35 0.00 0.00 41.96 41.92 2d6k s TYR 121 CO 0.18 -0.64 1.34 -0.65 -1.34 0.00 0.00 175.55 174.44 2d6k s GLN 122 N 2.41 4.33 0.02 4.97 -0.21 -1.26 -1.19 119.66 128.72 2d6k s GLN 122 Ca 0.09 2.25 -0.33 0.00 0.02 0.00 0.00 55.36 57.39 2d6k s GLN 122 Cb -0.15 -3.07 -0.11 0.00 1.00 0.00 0.00 33.01 30.67 2d6k s GLN 122 CO -0.13 -0.25 1.84 0.72 -2.12 0.00 0.00 175.29 175.35 2d6k n HIS 123 N 1.04 2.41 -0.04 0.91 8.25 -0.58 -4.87 115.22 122.33 2d6k n HIS 123 Ca 0.01 -0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 2d6k n HIS 123 Cb 0.41 -2.68 -0.14 0.00 1.12 0.00 0.00 29.99 28.70 2d6k n HIS 123 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2d6k n ARG 124 N 6.09 0.65 -4.30 -0.41 1.74 -1.26 -4.92 116.66 114.24 2d6k n ARG 124 Ca 0.20 0.20 -0.18 0.00 -0.77 0.00 0.00 57.85 57.30 2d6k n ARG 124 Cb 0.33 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 2d6k n ARG 124 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d6k s VAL 125 N -2.58 1.55 0.55 1.55 -7.23 -1.26 -5.12 120.40 107.85 2d6k s VAL 125 Ca -0.06 -2.03 -0.21 0.00 -1.81 0.00 0.00 61.98 57.87 2d6k s VAL 125 Cb 0.07 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 2d6k s VAL 125 CO 0.83 -0.54 1.23 -2.84 -0.31 0.00 0.00 175.10 173.46 2d6k s PRO 126 N -3.33 3.23 0.32 4.82 0.02 -1.26 -4.89 135.00 133.91 2d6k s PRO 126 Ca 0.17 1.91 0.26 0.00 0.02 0.00 0.00 61.00 63.36 2d6k s PRO 126 Cb -0.02 -2.13 0.94 0.00 0.02 0.00 0.00 34.50 33.31 2d6k s PRO 126 CO 0.05 -1.02 1.77 0.10 -0.33 0.00 0.00 177.00 177.57 2d6k h TYR 127 N 1.34 0.00 -0.04 6.54 -0.00 -1.95 -3.15 116.97 119.71 2d6k h TYR 127 Ca -0.50 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.17 2d6k h TYR 127 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.01 2d6k h TYR 127 CO 0.48 0.00 -0.25 0.45 -0.00 0.00 0.00 178.16 178.84 2d6k h HIS 128 N 0.00 0.07 0.00 0.10 -0.00 -1.90 -2.39 115.15 111.02 2d6k h HIS 128 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2d6k h HIS 128 Cb 0.56 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 2d6k h HIS 128 CO 0.00 0.31 0.00 1.28 -0.00 0.00 0.00 177.93 179.52 2d6k n LEU 129 N -4.22 0.00 -4.64 2.43 4.77 -1.19 -4.61 117.00 109.54 2d6k n LEU 129 Ca -0.02 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.81 2d6k n LEU 129 Cb 0.32 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2d6k n LEU 129 CO 0.38 -0.06 0.42 -0.69 -1.33 0.00 0.00 177.39 176.11 2d6k s VAL 130 N -2.51 4.98 -0.05 4.08 1.01 -0.90 -4.47 120.40 122.54 2d6k s VAL 130 Ca 0.23 1.21 0.07 0.00 0.00 0.00 0.00 61.98 63.50 2d6k s VAL 130 Cb 0.16 -3.96 0.11 0.00 0.00 0.00 0.00 36.38 32.68 2d6k s VAL 130 CO 0.34 0.04 1.00 -0.90 0.00 0.00 0.00 175.10 175.59 2d6k n ASP 131 N 5.51 1.06 -3.75 3.32 5.68 -1.06 -1.60 116.55 125.72 2d6k n ASP 131 Ca 0.00 -2.30 -0.12 0.00 -0.50 0.00 0.00 54.79 51.86 2d6k n ASP 131 Cb 0.49 -0.25 -0.12 0.00 -1.14 0.00 0.00 41.12 40.10 2d6k n ASP 131 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2d6k s THR 132 N -1.17 -0.03 -0.12 2.12 2.01 -1.10 -0.79 115.64 116.56 2d6k s THR 132 Ca 0.12 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 2d6k s THR 132 Cb 0.10 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 2d6k s THR 132 CO 0.01 0.04 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.42 2d6k s ILE 133 N 0.88 3.80 -0.03 1.82 2.07 -0.47 -1.47 121.20 127.80 2d6k s ILE 133 Ca -0.06 -0.41 0.04 0.00 -1.41 0.00 0.00 60.65 58.81 2d6k s ILE 133 Cb -0.07 -2.62 -0.01 0.00 0.13 0.00 0.00 42.46 39.89 2d6k s ILE 133 CO -0.06 0.53 -0.16 0.00 -1.91 0.00 0.00 174.94 173.35 2d6k s ALA 134 N -0.06 1.34 -0.00 1.50 0.00 -0.15 -1.83 121.76 122.56 2d6k s ALA 134 Ca 0.01 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2d6k s ALA 134 Cb -0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2d6k s ALA 134 CO 0.03 0.28 -0.09 0.08 0.00 0.00 0.00 175.76 176.06 2d6k s VAL 135 N -0.15 0.72 0.32 0.00 1.01 -0.21 -0.48 120.40 121.60 2d6k s VAL 135 Ca 0.01 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 2d6k s VAL 135 Cb -0.08 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.74 2d6k s VAL 135 CO 0.01 0.17 0.83 -0.94 0.00 0.00 0.00 175.10 175.17 2d6k s SER 136 N -0.29 -0.06 0.00 3.32 1.04 -0.43 -0.35 113.70 116.94 2d6k s SER 136 Ca 0.03 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2d6k s SER 136 Cb -0.04 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2d6k s SER 136 CO -0.00 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.36 2d6k n GLY 137 N -0.54 -1.85 2.72 7.32 0.00 -1.26 -0.63 105.19 110.95 2d6k n GLY 137 Ca -0.07 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2d6k n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d6k s LEU 139 N 1.30 0.35 0.14 0.00 2.34 -1.26 -2.05 118.68 119.50 2d6k s LEU 139 Ca 0.47 -0.91 0.07 0.00 0.06 0.00 0.00 54.13 53.82 2d6k s LEU 139 Cb 0.13 1.73 -0.04 0.00 -0.56 0.00 0.00 46.19 47.46 2d6k s LEU 139 CO -0.06 -1.12 -0.17 -1.59 -1.06 0.00 0.00 176.35 172.35 2d6k s LYS 140 N -4.01 1.15 -0.10 1.48 -2.85 0.14 -4.86 119.74 110.68 2d6k s LYS 140 Ca 0.22 -1.29 0.03 0.00 -1.00 0.00 0.00 55.97 53.92 2d6k s LYS 140 Cb -0.00 -1.18 -0.01 0.00 -2.06 0.00 0.00 37.83 34.58 2d6k s LYS 140 CO 0.08 0.24 -0.20 -0.51 0.10 0.00 0.00 175.35 175.07 2d6k s LEU 141 N -2.43 2.35 0.07 2.77 1.43 -1.26 0.49 118.68 122.10 2d6k s LEU 141 Ca 0.11 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 2d6k s LEU 141 Cb -0.06 -1.49 -0.24 0.00 0.03 0.00 0.00 46.19 44.43 2d6k s LEU 141 CO 0.05 0.18 1.18 0.28 0.23 0.00 0.00 176.35 178.27 2d6k h SER 142 N 6.56 0.92 -4.82 2.29 0.02 -0.22 -3.33 113.55 114.97 2d6k h SER 142 Ca -0.24 -0.75 0.13 0.00 -0.84 0.00 0.00 61.79 60.09 2d6k h SER 142 Cb 1.22 -0.28 -0.13 0.00 0.14 0.00 0.00 62.40 63.34 2d6k h SER 142 CO 0.50 1.55 0.50 0.72 -1.14 0.00 0.00 176.83 178.96 2d6k s PHE 143 N -3.29 -0.29 -0.08 3.45 -0.71 -0.97 -0.38 117.98 115.71 2d6k s PHE 143 Ca -0.10 0.11 -0.00 0.00 -1.04 0.00 0.00 56.93 55.90 2d6k s PHE 143 Cb 0.07 0.56 0.02 0.00 -1.21 0.00 0.00 43.02 42.46 2d6k s PHE 143 CO 0.92 -0.60 -0.05 0.42 -1.34 0.00 0.00 175.22 174.57 2d6k s ILE 144 N -3.14 0.69 0.27 -4.49 1.01 -0.47 -1.50 121.20 113.57 2d6k s ILE 144 Ca 0.07 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.69 2d6k s ILE 144 Cb -0.01 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 2d6k s ILE 144 CO -0.06 0.30 0.05 0.42 0.00 0.00 0.00 174.94 175.65 2d6k s THR 145 N 1.52 3.67 -0.11 2.92 -4.23 0.10 -1.50 115.64 118.01 2d6k s THR 145 Ca -0.01 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2d6k s THR 145 Cb -0.13 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.74 2d6k s THR 145 CO -0.04 -0.36 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.22 2d6k s PHE 146 N -2.28 1.63 0.02 3.99 0.08 -1.26 -1.76 117.98 118.39 2d6k s PHE 146 Ca 0.32 -0.80 0.01 0.00 0.12 0.00 0.00 56.93 56.58 2d6k s PHE 146 Cb -0.07 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 2d6k s PHE 146 CO 0.21 -0.50 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.15 2d6k s GLN 147 N 1.44 0.28 0.14 0.44 -0.21 -0.07 -0.25 119.66 121.42 2d6k s GLN 147 Ca 0.01 -0.44 0.10 0.00 0.02 0.00 0.00 55.36 55.05 2d6k s GLN 147 Cb -0.13 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.81 2d6k s GLN 147 CO -0.06 -0.01 -0.23 -0.08 -2.12 0.00 0.00 175.29 172.80 2d6k s THR 148 N -0.95 2.01 -0.11 -0.19 -1.32 0.12 0.67 115.64 115.88 2d6k s THR 148 Ca -0.09 -1.77 0.15 0.00 -1.21 0.00 0.00 61.69 58.76 2d6k s THR 148 Cb -0.07 -1.85 -0.05 0.00 -1.51 0.00 0.00 72.50 69.02 2d6k s THR 148 CO -0.00 -0.08 1.16 1.56 -2.21 0.00 0.00 174.62 175.05 2d6k h GLN 149 N 3.69 0.00 0.00 7.08 7.50 -1.83 0.20 115.11 131.75 2d6k h GLN 149 Ca -0.47 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.68 2d6k h GLN 149 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.72 2d6k h GLN 149 CO 0.43 0.47 0.00 0.09 -1.50 0.00 0.00 178.83 178.32