#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2c n ALA 2 N 0.00 0.87 -2.10 3.04 0.00 -1.26 -5.12 120.51 115.95 2k2c n ALA 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2k2c n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2k2c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2c s ALA 3 N 0.00 2.55 -0.45 0.00 0.00 -1.26 -4.96 121.76 117.64 2k2c s ALA 3 Ca 0.00 -0.33 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 2k2c s ALA 3 Cb 0.00 -4.16 0.03 0.00 0.00 0.00 0.00 23.12 18.99 2k2c s ALA 3 CO 0.00 -3.25 1.08 0.99 0.00 0.00 0.00 175.76 174.58 2k2c s THR 4 N 7.69 4.31 0.54 0.00 2.01 -1.26 -5.04 115.64 123.89 2k2c s THR 4 Ca 0.69 1.19 -0.20 0.00 0.31 0.00 0.00 61.69 63.67 2k2c s THR 4 Cb -0.15 -4.53 -0.06 0.00 0.01 0.00 0.00 72.50 67.76 2k2c s THR 4 CO 0.26 -0.89 1.16 0.00 -0.69 0.00 0.00 174.62 174.47 2k2c s ALA 5 N 4.17 2.72 0.29 7.40 0.00 -1.26 -5.06 121.76 130.02 2k2c s ALA 5 Ca 0.45 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.37 2k2c s ALA 5 Cb -0.09 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2k2c s ALA 5 CO 0.28 -0.87 0.28 2.89 0.00 0.00 0.00 175.76 178.35 2k2c n ARG 6 N -1.20 0.41 -2.29 0.00 0.00 -1.26 -5.09 116.66 107.24 2k2c n ARG 6 Ca 0.11 -2.80 -0.03 0.00 -0.00 0.00 0.00 57.85 55.13 2k2c n ARG 6 Cb 0.50 2.37 -0.03 0.00 -0.00 0.00 0.00 32.46 35.30 2k2c n ARG 6 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2k2c n GLU 7 N -0.54 -3.90 -0.48 2.89 2.13 -1.26 -4.88 120.64 114.60 2k2c n GLU 7 Ca 0.05 2.99 -0.07 0.00 0.66 0.00 0.00 57.16 60.80 2k2c n GLU 7 Cb 0.52 -4.18 0.10 0.00 0.27 0.00 0.00 31.44 28.15 2k2c n GLU 7 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k2c n ASP 8 N 1.42 3.23 0.00 4.31 9.92 -1.26 -5.00 116.55 129.17 2k2c n ASP 8 Ca -0.24 -2.60 0.00 0.00 -0.53 0.00 0.00 54.79 51.42 2k2c n ASP 8 Cb 0.37 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 2k2c n ASP 8 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2c n GLY 9 N -0.08 2.35 3.02 0.44 0.00 -1.26 -4.81 105.19 104.85 2k2c n GLY 9 Ca 0.22 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2k2c n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c s ALA 10 N -1.82 0.28 -0.01 4.61 0.00 -1.26 -5.18 121.76 118.39 2k2c s ALA 10 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 2k2c s ALA 10 Cb 0.00 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.36 2k2c s ALA 10 CO 0.00 -0.19 0.70 -0.08 0.00 0.00 0.00 175.76 176.19 2k2c s THR 11 N -2.03 0.00 0.00 0.00 -1.32 -1.26 -5.15 115.64 105.88 2k2c s THR 11 Ca -0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 2k2c s THR 11 Cb -0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 2k2c s THR 11 CO -0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 2k2c n GLY 12 N 0.53 -0.19 2.85 6.08 0.00 -1.26 -5.10 105.19 108.10 2k2c n GLY 12 Ca -0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 2k2c n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k2c n GLU 13 N 0.00 -2.46 -3.37 1.61 4.07 -1.26 -5.08 120.64 114.15 2k2c n GLU 13 Ca 0.00 2.17 -0.12 0.00 -0.06 0.00 0.00 57.16 59.15 2k2c n GLU 13 Cb 0.00 -5.64 -0.09 0.00 -0.06 0.00 0.00 31.44 25.65 2k2c n GLU 13 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2k2c s GLU 14 N -2.54 0.33 -0.30 5.31 2.12 -1.26 -5.14 118.70 117.22 2k2c s GLU 14 Ca 0.23 0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.82 2k2c s GLU 14 Cb -0.07 -0.60 0.04 0.00 0.26 0.00 0.00 34.13 33.76 2k2c s GLU 14 CO 0.77 -0.78 0.02 1.03 -0.54 0.00 0.00 175.26 175.76 2k2c s ARG 15 N 2.48 2.60 0.37 4.30 0.52 -1.26 -5.10 118.95 122.85 2k2c s ARG 15 Ca 0.11 -1.16 -0.26 0.00 -0.52 0.00 0.00 55.73 53.89 2k2c s ARG 15 Cb -0.15 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.01 2k2c s ARG 15 CO -0.21 -0.58 1.13 0.20 0.02 0.00 0.00 175.30 175.87 2k2c s GLY 16 N 1.32 2.89 -0.53 -3.53 0.00 -1.26 -4.98 107.32 101.22 2k2c s GLY 16 Ca -0.03 0.91 -0.28 0.00 0.00 0.00 0.00 44.72 45.31 2k2c s GLY 16 CO -0.00 1.43 1.32 1.62 0.00 0.00 0.00 173.10 177.47 2k2c s GLN 17 N -2.13 3.46 -0.39 2.90 0.74 -1.26 -4.98 119.66 117.99 2k2c s GLN 17 Ca 0.54 0.50 -0.29 0.00 0.05 0.00 0.00 55.36 56.16 2k2c s GLN 17 Cb -0.29 -4.05 0.01 0.00 1.10 0.00 0.00 33.01 29.77 2k2c s GLN 17 CO 0.37 -1.74 1.33 -0.98 -0.55 0.00 0.00 175.29 173.73 2k2c s ARG 18 N 5.14 3.71 0.00 1.67 3.03 -1.26 -4.74 118.95 126.49 2k2c s ARG 18 Ca 0.51 0.98 0.00 0.00 2.03 0.00 0.00 55.73 59.25 2k2c s ARG 18 Cb -0.10 -3.96 0.00 0.00 -1.03 0.00 0.00 34.95 29.86 2k2c s ARG 18 CO 0.27 -1.40 0.00 0.41 -1.13 0.00 0.00 175.30 173.46 2k2c n GLY 19 N 4.79 1.49 3.51 3.88 0.00 -0.25 -4.83 105.19 113.79 2k2c n GLY 19 Ca 0.15 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 2k2c n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c h GLU 21 N 2.00 0.13 0.00 0.00 4.11 -2.01 -3.00 114.58 115.81 2k2c h GLU 21 Ca -0.30 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.08 2k2c h GLU 21 Cb 1.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2k2c h GLU 21 CO 0.34 0.09 -0.31 0.45 0.07 0.00 0.00 179.01 179.65 2k2c h HIS 22 N 0.14 0.00 -3.25 2.06 3.86 -2.01 -3.46 115.15 112.48 2k2c h HIS 22 Ca 0.29 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 59.08 2k2c h HIS 22 Cb 0.98 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.06 2k2c h HIS 22 CO -0.00 0.61 -0.75 0.71 0.86 0.00 0.00 177.93 179.35 2k2c s TYR 23 N -2.04 0.41 -1.07 2.45 2.02 -1.14 -5.08 117.35 112.91 2k2c s TYR 23 Ca -0.14 -0.09 -0.18 0.00 -0.37 0.00 0.00 57.07 56.30 2k2c s TYR 23 Cb 0.00 -0.69 0.13 0.00 -0.40 0.00 0.00 41.96 41.00 2k2c s TYR 23 CO 0.38 -0.32 1.33 -0.51 -1.57 0.00 0.00 175.55 174.86 2k2c s ASP 24 N 2.06 6.78 -0.03 2.29 1.01 -1.19 -1.02 116.67 126.57 2k2c s ASP 24 Ca 0.04 -2.32 0.04 0.00 0.71 0.00 0.00 52.55 51.02 2k2c s ASP 24 Cb -0.13 -2.44 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 2k2c s ASP 24 CO -0.05 -1.03 -0.15 0.00 0.21 0.00 0.00 175.17 174.16 2k2c s ARG 25 N 2.77 1.43 -0.05 8.23 1.70 -1.26 -3.92 118.95 127.85 2k2c s ARG 25 Ca 0.40 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 2k2c s ARG 25 Cb -0.03 -1.29 0.07 0.00 -0.57 0.00 0.00 34.95 33.13 2k2c s ARG 25 CO -0.05 0.23 1.19 0.41 -1.08 0.00 0.00 175.30 176.01 2k2c n GLY 26 N 3.06 2.34 3.30 3.88 0.00 -0.93 -1.09 105.19 115.74 2k2c n GLY 26 Ca -0.17 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2k2c n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c s LEU 28 N -0.95 4.34 -0.14 0.00 1.43 -0.09 -4.58 118.68 118.69 2k2c s LEU 28 Ca -0.10 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 2k2c s LEU 28 Cb -0.04 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2k2c s LEU 28 CO 0.04 0.28 1.55 -0.76 0.23 0.00 0.00 176.35 177.69 2k2c s LEU 29 N -0.44 4.14 -0.54 1.79 1.43 0.74 -1.20 118.68 124.60 2k2c s LEU 29 Ca 0.16 1.90 -0.27 0.00 -1.03 0.00 0.00 54.13 54.89 2k2c s LEU 29 Cb -0.13 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.59 2k2c s LEU 29 CO 0.05 -1.00 1.07 -0.75 0.23 0.00 0.00 176.35 175.94 2k2c s LYS 30 N 4.14 3.47 -0.48 1.70 2.20 -0.51 -1.97 119.74 128.29 2k2c s LYS 30 Ca 0.68 0.09 -0.26 0.00 -0.36 0.00 0.00 55.97 56.13 2k2c s LYS 30 Cb -0.28 -4.01 0.03 0.00 -1.51 0.00 0.00 37.83 32.07 2k2c s LYS 30 CO 0.26 -1.52 0.97 0.00 -0.36 0.00 0.00 175.35 174.70 2k2c s ALA 31 N 4.40 3.20 -0.32 3.13 0.00 -0.49 -3.40 121.76 128.28 2k2c s ALA 31 Ca 0.38 -0.82 0.23 0.00 0.00 0.00 0.00 51.96 51.75 2k2c s ALA 31 Cb -0.09 -3.71 1.10 0.00 0.00 0.00 0.00 23.12 20.41 2k2c s ALA 31 CO 0.24 -2.17 1.70 -0.35 0.00 0.00 0.00 175.76 175.17 2k2c n PRO 32 N 7.38 0.17 0.29 0.00 -0.04 -1.26 0.59 135.00 142.12 2k2c n PRO 32 Ca 0.06 0.54 0.18 0.00 -0.04 0.00 0.00 63.50 64.24 2k2c n PRO 32 Cb 0.48 -1.93 0.83 0.00 -0.04 0.00 0.00 33.50 32.84 2k2c n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2c n ASP 35 N 0.00 -4.75 -4.90 0.00 9.92 0.20 -4.97 116.55 112.05 2k2c n ASP 35 Ca 0.00 0.30 -0.29 0.00 -0.53 0.00 0.00 54.79 54.27 2k2c n ASP 35 Cb 0.33 -3.81 -0.04 0.00 -0.64 0.00 0.00 41.12 36.96 2k2c n ASP 35 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k2c s LYS 36 N -2.94 3.63 -0.25 -1.24 1.02 -1.18 -4.72 119.74 114.06 2k2c s LYS 36 Ca 0.00 -0.05 -0.06 0.00 0.02 0.00 0.00 55.97 55.87 2k2c s LYS 36 Cb 0.00 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2k2c s LYS 36 CO 0.00 0.32 0.04 -0.51 -0.92 0.00 0.00 175.35 174.28 2k2c s LEU 37 N -3.23 3.37 -0.08 3.17 2.01 -1.26 -1.40 118.68 121.25 2k2c s LEU 37 Ca 0.43 -0.35 -0.05 0.00 0.01 0.00 0.00 54.13 54.16 2k2c s LEU 37 Cb -0.11 -1.86 0.04 0.00 0.01 0.00 0.00 46.19 44.26 2k2c s LEU 37 CO 0.28 -0.06 0.20 -0.31 1.01 0.00 0.00 176.35 177.46 2k2c s TYR 38 N 1.56 -0.24 0.38 0.29 2.02 -0.83 -4.91 117.35 115.61 2k2c s TYR 38 Ca 0.06 0.61 0.10 0.00 -0.37 0.00 0.00 57.07 57.46 2k2c s TYR 38 Cb -0.15 0.01 0.86 0.00 -0.40 0.00 0.00 41.96 42.28 2k2c s TYR 38 CO 0.01 -0.17 1.93 1.15 -1.57 0.00 0.00 175.55 176.90 2k2c h THR 39 N 5.64 0.91 -3.06 -0.71 2.02 -1.86 0.21 112.91 116.06 2k2c h THR 39 Ca -0.37 -0.22 -0.43 0.00 0.77 0.00 0.00 66.41 66.16 2k2c h THR 39 Cb 1.16 0.22 -0.15 0.00 -1.74 0.00 0.00 68.15 67.64 2k2c h THR 39 CO 0.39 0.12 -0.74 0.00 0.37 0.00 0.00 175.52 175.66 2k2c h ARG 41 N 2.74 0.77 -0.08 0.00 0.11 -1.92 -2.49 114.38 113.51 2k2c h ARG 41 Ca -0.38 -0.46 -0.18 0.00 0.10 0.00 0.00 59.98 59.06 2k2c h ARG 41 Cb 1.21 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 2k2c h ARG 41 CO 0.60 1.09 -0.69 1.37 0.10 0.00 0.00 179.97 182.44 2k2c h LEU 42 N 0.61 0.45 -1.48 0.08 -0.00 -1.97 -1.53 115.31 111.46 2k2c h LEU 42 Ca 0.03 -0.28 -0.03 0.00 -0.00 0.00 0.00 57.88 57.59 2k2c h LEU 42 Cb 1.08 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 2k2c h LEU 42 CO 0.11 1.01 0.02 0.00 -0.00 0.00 0.00 178.44 179.58 2k2c h HIS 44 N 0.35 -0.32 0.00 0.00 -0.00 -1.29 -3.31 115.15 110.58 2k2c h HIS 44 Ca 0.08 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 2k2c h HIS 44 Cb 0.20 0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2k2c h HIS 44 CO 0.00 -0.08 -0.08 0.22 -0.00 0.00 0.00 177.93 177.99 2k2c h ASP 45 N -0.52 0.00 0.25 3.26 3.58 -0.41 -0.74 116.42 121.84 2k2c h ASP 45 Ca -0.04 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.27 2k2c h ASP 45 Cb 0.39 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2k2c h ASP 45 CO 0.06 0.08 -0.57 0.78 -2.88 0.00 0.00 179.24 176.71 2k2c h ASN 46 N 0.00 0.37 0.22 2.28 -0.26 -1.21 -3.29 115.58 113.70 2k2c h ASN 46 Ca -0.00 -0.20 -0.35 0.00 -0.56 0.00 0.00 56.30 55.19 2k2c h ASN 46 Cb 0.23 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 2k2c h ASN 46 CO 0.01 0.86 -1.81 0.78 -1.06 0.00 0.00 177.43 176.21 2k2c h ASN 47 N 0.25 0.48 -3.37 5.81 2.35 -1.40 -3.49 115.58 116.21 2k2c h ASN 47 Ca 0.00 -0.83 -0.50 0.00 -0.55 0.00 0.00 56.30 54.42 2k2c h ASN 47 Cb 1.07 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2k2c h ASN 47 CO 0.09 1.72 -0.03 -1.61 -1.65 0.00 0.00 177.43 175.95 2k2c s GLU 48 N -2.58 3.65 0.23 0.81 0.41 -0.38 -5.00 118.70 115.84 2k2c s GLU 48 Ca -0.17 0.15 0.06 0.00 -0.41 0.00 0.00 54.97 54.61 2k2c s GLU 48 Cb 0.06 -2.53 0.21 0.00 -1.78 0.00 0.00 34.13 30.09 2k2c s GLU 48 CO 0.82 0.07 1.53 0.22 -0.49 0.00 0.00 175.26 177.41 2k2c h ASP 49 N 1.25 0.15 -1.16 -0.19 3.58 -1.90 -3.45 116.42 114.70 2k2c h ASP 49 Ca -0.48 -0.10 -0.53 0.00 0.42 0.00 0.00 57.03 56.35 2k2c h ASP 49 Cb 1.19 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.16 2k2c h ASP 49 CO 0.64 0.79 -0.34 -1.38 -2.88 0.00 0.00 179.24 176.07 2k2c s HIS 50 N -3.53 2.25 0.05 0.28 -3.43 -1.26 -5.13 115.29 104.51 2k2c s HIS 50 Ca -0.02 -0.63 -0.05 0.00 -0.80 0.00 0.00 55.06 53.55 2k2c s HIS 50 Cb 0.12 -2.07 -0.05 0.00 -1.43 0.00 0.00 32.58 29.15 2k2c s HIS 50 CO 0.79 -0.29 0.29 1.14 -2.00 0.00 0.00 174.74 174.67 2k2c s GLN 51 N -4.20 3.57 -0.18 -0.38 -2.07 -1.26 -4.63 119.66 110.51 2k2c s GLN 51 Ca 0.44 -0.13 -0.06 0.00 -1.82 0.00 0.00 55.36 53.79 2k2c s GLN 51 Cb -0.02 -3.02 -0.04 0.00 -1.09 0.00 0.00 33.01 28.84 2k2c s GLN 51 CO 0.26 0.60 0.03 -1.17 -1.32 0.00 0.00 175.29 173.69 2k2c s LEU 52 N -2.06 3.61 -0.15 2.60 0.20 -1.26 -5.06 118.68 116.55 2k2c s LEU 52 Ca 0.32 -0.00 -0.06 0.00 0.69 0.00 0.00 54.13 55.07 2k2c s LEU 52 Cb -0.13 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 2k2c s LEU 52 CO 0.20 0.16 0.06 -0.62 -0.29 0.00 0.00 176.35 175.86 2k2c s ASP 53 N 0.44 5.69 0.23 3.68 2.15 -1.26 -4.90 116.67 122.70 2k2c s ASP 53 Ca 0.01 0.17 0.21 0.00 0.43 0.00 0.00 52.55 53.37 2k2c s ASP 53 Cb -0.13 -1.87 0.93 0.00 -0.30 0.00 0.00 42.92 41.55 2k2c s ASP 53 CO 0.01 0.27 1.63 -2.11 -0.17 0.00 0.00 175.17 174.80 2k2c n ARG 54 N 2.92 0.15 0.10 4.34 0.00 -1.26 -1.46 116.66 121.44 2k2c n ARG 54 Ca -0.18 0.46 0.12 0.00 -0.00 0.00 0.00 57.85 58.25 2k2c n ARG 54 Cb 0.53 -1.83 0.14 0.00 -0.00 0.00 0.00 32.46 31.29 2k2c n ARG 54 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2k2c h PHE 55 N 0.00 0.00 0.02 2.89 -1.00 -1.81 -3.37 116.94 113.66 2k2c h PHE 55 Ca 0.00 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.55 2k2c h PHE 55 Cb 0.25 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 2k2c h PHE 55 CO 0.00 0.00 -1.17 0.87 -1.61 0.00 0.00 178.31 176.40 2k2c h LYS 56 N 0.00 0.04 -6.14 1.51 1.79 -1.60 -3.46 116.57 108.70 2k2c h LYS 56 Ca 0.00 -0.06 -0.58 0.00 -2.18 0.00 0.00 60.65 57.82 2k2c h LYS 56 Cb 0.86 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.54 2k2c h LYS 56 CO 0.00 0.94 1.35 1.33 -1.08 0.00 0.00 179.45 182.00 2k2c n VAL 57 N -3.32 0.49 0.07 0.50 0.24 -1.25 -4.69 118.33 110.38 2k2c n VAL 57 Ca -0.04 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 2k2c n VAL 57 Cb 0.97 -2.31 -0.07 0.00 -1.47 0.00 0.00 33.84 30.97 2k2c n VAL 57 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2k2c h LYS 58 N 12.64 0.41 0.00 7.34 1.63 -1.89 -3.46 116.57 133.24 2k2c h LYS 58 Ca -0.43 -0.48 -0.12 0.00 -0.85 0.00 0.00 60.65 58.77 2k2c h LYS 58 Cb 1.25 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 33.00 2k2c h LYS 58 CO 0.96 1.15 -0.11 0.39 -3.45 0.00 0.00 179.45 178.38 2k2c n GLU 59 N -3.71 0.35 -4.02 1.90 1.02 -1.25 -4.08 120.64 110.85 2k2c n GLU 59 Ca -0.08 -0.81 -0.10 0.00 -0.02 0.00 0.00 57.16 56.16 2k2c n GLU 59 Cb 0.88 0.59 -0.05 0.00 -0.02 0.00 0.00 31.44 32.83 2k2c n GLU 59 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2k2c s VAL 60 N -2.19 0.00 0.16 2.62 -7.23 0.40 -1.42 120.40 112.74 2k2c s VAL 60 Ca 0.08 -1.47 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 2k2c s VAL 60 Cb 0.00 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2k2c s VAL 60 CO 0.06 0.00 -0.16 0.00 -0.31 0.00 0.00 175.10 174.69 2k2c s GLN 61 N -3.92 1.21 -0.27 4.82 1.03 -0.34 -1.90 119.66 120.28 2k2c s GLN 61 Ca 0.24 -1.40 -0.12 0.00 0.04 0.00 0.00 55.36 54.12 2k2c s GLN 61 Cb -0.00 -1.13 -0.05 0.00 0.03 0.00 0.00 33.01 31.86 2k2c s GLN 61 CO 0.10 0.22 0.26 0.00 -2.54 0.00 0.00 175.29 173.33 2k2c n ILE 63 N 5.02 3.79 0.09 0.00 5.41 -0.64 -0.24 119.36 132.79 2k2c n ILE 63 Ca -0.12 -2.91 0.00 0.00 1.00 0.00 0.00 62.75 60.72 2k2c n ILE 63 Cb 0.52 -2.60 0.00 0.00 -0.71 0.00 0.00 39.64 36.84 2k2c n ILE 63 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2k2c n ASN 64 N 5.15 -1.56 -0.03 4.38 5.15 -1.26 -4.71 115.26 122.37 2k2c n ASN 64 Ca 0.61 0.43 0.01 0.00 -0.60 0.00 0.00 54.58 55.03 2k2c n ASN 64 Cb 0.33 1.68 -0.01 0.00 -0.53 0.00 0.00 39.78 41.26 2k2c n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2c n GLU 66 N -0.67 -1.54 -1.69 0.00 1.02 0.67 -4.95 120.64 113.48 2k2c n GLU 66 Ca 0.01 0.78 -0.43 0.00 -0.02 0.00 0.00 57.16 57.50 2k2c n GLU 66 Cb 0.05 -5.18 -0.03 0.00 -0.02 0.00 0.00 31.44 26.26 2k2c n GLU 66 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2k2c s LYS 67 N -4.87 3.49 -0.58 3.49 2.47 -1.25 -4.58 119.74 117.90 2k2c s LYS 67 Ca 0.02 2.13 -0.26 0.00 -1.56 0.00 0.00 55.97 56.31 2k2c s LYS 67 Cb -0.01 -4.28 0.04 0.00 -1.46 0.00 0.00 37.83 32.12 2k2c s LYS 67 CO 0.03 -1.70 1.06 0.42 0.16 0.00 0.00 175.35 175.33 2k2c s ILE 68 N 6.87 4.19 0.15 5.43 -1.09 -1.26 -2.16 121.20 133.33 2k2c s ILE 68 Ca 0.93 0.50 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 2k2c s ILE 68 Cb -0.34 -4.65 -0.04 0.00 -1.58 0.00 0.00 42.46 35.84 2k2c s ILE 68 CO 0.36 -1.27 -0.01 0.00 -1.23 0.00 0.00 174.94 172.79 2k2c s GLN 69 N 4.47 1.04 0.54 2.79 -2.07 -0.80 -4.99 119.66 120.64 2k2c s GLN 69 Ca 0.35 -1.49 -0.18 0.00 -1.82 0.00 0.00 55.36 52.22 2k2c s GLN 69 Cb -0.10 -0.20 -0.06 0.00 -1.09 0.00 0.00 33.01 31.55 2k2c s GLN 69 CO 0.21 -0.12 1.06 -1.01 -1.32 0.00 0.00 175.29 174.10 2k2c s HIS 70 N -3.69 2.96 -0.46 9.60 3.76 -1.26 -0.46 115.29 125.74 2k2c s HIS 70 Ca 0.22 1.55 -0.28 0.00 -0.15 0.00 0.00 55.06 56.39 2k2c s HIS 70 Cb 0.06 -3.06 -0.08 0.00 1.11 0.00 0.00 32.58 30.60 2k2c s HIS 70 CO 0.02 -1.03 2.38 0.00 -0.85 0.00 0.00 174.74 175.26 2k2c n ALA 71 N -1.46 0.99 -2.40 -1.40 0.00 -1.26 -4.75 120.51 110.24 2k2c n ALA 71 Ca 0.09 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 2k2c n ALA 71 Cb 0.52 -3.01 -0.10 0.00 0.00 0.00 0.00 19.45 16.86 2k2c n ALA 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k2c s GLN 72 N 7.75 1.47 0.27 0.00 0.74 -1.26 -4.82 119.66 123.80 2k2c s GLN 72 Ca 1.03 -1.72 0.04 0.00 0.05 0.00 0.00 55.36 54.76 2k2c s GLN 72 Cb -0.37 -1.09 0.37 0.00 1.10 0.00 0.00 33.01 33.02 2k2c s GLN 72 CO 0.32 0.07 1.66 0.37 -0.55 0.00 0.00 175.29 177.16 2k2c h GLN 73 N 2.38 0.33 -4.34 1.67 4.15 -1.95 -3.45 115.11 113.89 2k2c h GLN 73 Ca -0.39 -0.16 -0.30 0.00 0.77 0.00 0.00 58.65 58.56 2k2c h GLN 73 Cb 1.23 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.66 2k2c h GLN 73 CO 0.65 0.70 -0.74 0.99 -1.93 0.00 0.00 178.83 178.50 2k2c s THR 74 N -4.15 0.42 -0.63 2.39 2.01 -1.26 -1.35 115.64 113.06 2k2c s THR 74 Ca -0.05 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 2k2c s THR 74 Cb 0.13 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 2k2c s THR 74 CO 0.79 -0.05 1.82 0.00 -0.69 0.00 0.00 174.62 176.48 2k2c h GLU 76 N 14.42 0.28 0.00 0.00 9.09 -1.96 0.31 114.58 136.72 2k2c h GLU 76 Ca -0.25 -0.02 -0.09 0.00 0.05 0.00 0.00 59.36 59.05 2k2c h GLU 76 Cb 1.15 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 28.17 2k2c h GLU 76 CO 1.22 0.19 -1.19 1.05 0.05 0.00 0.00 179.01 180.33 2k2c h GLU 77 N 0.29 0.00 0.00 1.06 -0.00 -1.99 -3.39 114.58 110.54 2k2c h GLU 77 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.86 2k2c h GLU 77 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.21 2k2c h GLU 77 CO -0.16 0.17 -0.10 0.00 -0.00 0.00 0.00 179.01 178.92 2k2c n SER 79 N -0.12 -5.73 -4.56 0.00 7.64 0.11 -4.95 113.62 106.00 2k2c n SER 79 Ca 0.01 -0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.37 2k2c n SER 79 Cb 0.51 -4.69 -0.03 0.00 -1.01 0.00 0.00 64.21 58.99 2k2c n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k2c s THR 80 N -3.04 3.76 0.11 0.44 2.01 -1.21 -4.81 115.64 112.90 2k2c s THR 80 Ca 0.10 0.56 -0.31 0.00 0.31 0.00 0.00 61.69 62.35 2k2c s THR 80 Cb -0.04 -4.66 -0.09 0.00 0.01 0.00 0.00 72.50 67.72 2k2c s THR 80 CO 0.12 -1.47 1.63 -0.22 -0.69 0.00 0.00 174.62 173.99 2k2c s LEU 81 N 5.98 4.37 -0.02 4.42 2.96 -1.26 -1.22 118.68 133.91 2k2c s LEU 81 Ca 0.44 2.55 -0.23 0.00 -0.22 0.00 0.00 54.13 56.68 2k2c s LEU 81 Cb -0.09 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 42.88 2k2c s LEU 81 CO 0.20 -0.87 1.02 -0.26 -1.32 0.00 0.00 176.35 175.12 2k2c h PHE 82 N 7.79 -0.41 -1.91 5.38 -1.00 -1.53 -3.33 116.94 121.92 2k2c h PHE 82 Ca -0.43 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.36 2k2c h PHE 82 Cb 1.20 0.14 -0.20 0.00 3.61 0.00 0.00 35.95 40.70 2k2c h PHE 82 CO 0.73 -0.08 0.36 0.20 -1.61 0.00 0.00 178.31 177.92 2k2c s GLY 83 N -2.88 -0.45 0.18 -1.45 0.00 -1.26 -2.20 107.32 99.27 2k2c s GLY 83 Ca -0.13 1.53 -0.13 0.00 0.00 0.00 0.00 44.72 45.99 2k2c s GLY 83 CO 0.46 0.88 1.73 0.83 0.00 0.00 0.00 173.10 177.00 2k2c h GLU 84 N 2.67 0.26 -6.51 2.90 4.39 -1.59 -3.41 114.58 113.29 2k2c h GLU 84 Ca -0.23 -0.02 -0.53 0.00 0.34 0.00 0.00 59.36 58.92 2k2c h GLU 84 Cb 1.17 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 2k2c h GLU 84 CO 0.35 0.17 0.12 -0.47 -1.16 0.00 0.00 179.01 178.02 2k2c s TYR 85 N -6.14 3.77 0.03 4.33 5.04 0.05 -4.87 117.35 119.56 2k2c s TYR 85 Ca -0.13 1.47 0.03 0.00 -2.44 0.00 0.00 57.07 56.01 2k2c s TYR 85 Cb 0.15 -2.66 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 2k2c s TYR 85 CO 0.72 0.44 -0.10 1.52 -1.34 0.00 0.00 175.55 176.79 2k2c s TYR 86 N -1.32 0.90 -0.30 4.97 1.13 -1.26 -2.91 117.35 118.56 2k2c s TYR 86 Ca 0.38 -0.32 -0.07 0.00 -1.41 0.00 0.00 57.07 55.65 2k2c s TYR 86 Cb -0.20 -0.54 0.18 0.00 -1.10 0.00 0.00 41.96 40.30 2k2c s TYR 86 CO 0.23 -0.01 0.80 0.00 -2.51 0.00 0.00 175.55 174.06 2k2c h ASP 88 N 7.99 0.60 -0.57 0.00 2.03 -1.88 -0.62 116.42 123.98 2k2c h ASP 88 Ca -0.19 -0.67 -0.09 0.00 -0.73 0.00 0.00 57.03 55.35 2k2c h ASP 88 Cb 1.16 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 39.45 2k2c h ASP 88 CO 0.11 1.53 0.01 0.40 -1.03 0.00 0.00 179.24 180.25 2k2c h ILE 89 N 0.11 1.26 0.00 4.15 2.04 -1.97 -2.47 117.51 120.63 2k2c h ILE 89 Ca -0.20 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2k2c h ILE 89 Cb 2.07 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2k2c h ILE 89 CO 0.23 0.40 -0.33 0.00 0.00 0.00 0.00 178.15 178.45 2k2c n HIS 91 N -2.78 0.00 -3.13 0.00 8.25 -0.25 -4.25 115.22 113.06 2k2c n HIS 91 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 2k2c n HIS 91 Cb 0.51 -1.04 -0.06 0.00 1.12 0.00 0.00 29.99 30.53 2k2c n HIS 91 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2k2c s LEU 92 N 0.00 4.12 -0.05 2.41 0.05 -1.18 -4.97 118.68 119.07 2k2c s LEU 92 Ca 0.00 0.78 0.04 0.00 0.05 0.00 0.00 54.13 55.00 2k2c s LEU 92 Cb 0.00 -2.86 -0.00 0.00 -2.05 0.00 0.00 46.19 41.28 2k2c s LEU 92 CO 0.00 -0.29 -0.16 -0.36 -0.55 0.00 0.00 176.35 174.99 2k2c s PHE 93 N 2.06 1.65 0.27 3.48 0.08 -1.26 -3.55 117.98 120.71 2k2c s PHE 93 Ca 0.27 -0.49 -0.21 0.00 0.12 0.00 0.00 56.93 56.62 2k2c s PHE 93 Cb -0.16 -1.12 0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2k2c s PHE 93 CO 0.10 -0.18 0.77 0.34 -0.10 0.00 0.00 175.22 176.15 2k2c s ASP 94 N 0.13 -0.21 0.98 1.36 2.15 -1.14 -4.55 116.67 115.39 2k2c s ASP 94 Ca -0.05 -0.65 -0.11 0.00 0.43 0.00 0.00 52.55 52.17 2k2c s ASP 94 Cb -0.12 0.70 0.18 0.00 -0.30 0.00 0.00 42.92 43.39 2k2c s ASP 94 CO 0.02 -1.32 1.10 -0.54 -0.17 0.00 0.00 175.17 174.26 2k2c s LYS 95 N -3.58 0.52 -0.41 4.34 1.02 -1.25 -0.77 119.74 119.60 2k2c s LYS 95 Ca 0.12 1.19 -0.29 0.00 0.02 0.00 0.00 55.97 57.01 2k2c s LYS 95 Cb -0.05 -1.70 0.01 0.00 -0.52 0.00 0.00 37.83 35.57 2k2c s LYS 95 CO 0.07 -2.86 1.47 0.34 -0.92 0.00 0.00 175.35 173.45 2k2c s ASP 96 N -2.79 6.26 -0.04 2.83 2.15 -1.26 -4.29 116.67 119.53 2k2c s ASP 96 Ca 0.66 0.87 0.14 0.00 0.43 0.00 0.00 52.55 54.65 2k2c s ASP 96 Cb -0.22 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.12 2k2c s ASP 96 CO 0.60 -1.49 1.11 0.29 -0.17 0.00 0.00 175.17 175.52 2k2c n LYS 97 N 8.15 0.38 -1.34 4.34 5.02 -1.26 -4.99 118.16 128.46 2k2c n LYS 97 Ca 0.17 -1.89 -0.12 0.00 -2.02 0.00 0.00 58.31 54.45 2k2c n LYS 97 Cb 0.48 -0.59 -0.05 0.00 -0.02 0.00 0.00 35.03 34.85 2k2c n LYS 97 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k2c n LYS 98 N -0.14 -1.62 -1.96 1.97 4.01 -1.26 -3.99 118.16 115.17 2k2c n LYS 98 Ca 0.07 0.90 -0.42 0.00 -0.51 0.00 0.00 58.31 58.35 2k2c n LYS 98 Cb 0.86 -5.29 -0.03 0.00 -0.51 0.00 0.00 35.03 30.07 2k2c n LYS 98 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2k2c s GLN 99 N -2.95 4.23 -0.15 1.97 0.00 -1.24 -2.72 119.66 118.81 2k2c s GLN 99 Ca 0.00 2.34 -0.06 0.00 -0.00 0.00 0.00 55.36 57.64 2k2c s GLN 99 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 33.01 29.84 2k2c s GLN 99 CO 0.00 -0.53 0.08 1.52 0.00 0.00 0.00 175.29 176.36 2k2c s TYR 100 N 0.60 3.35 -0.64 9.60 -0.85 -1.24 -4.94 117.35 123.23 2k2c s TYR 100 Ca 0.65 0.26 -0.23 0.00 -0.52 0.00 0.00 57.07 57.23 2k2c s TYR 100 Cb -0.43 -1.98 0.06 0.00 0.38 0.00 0.00 41.96 39.99 2k2c s TYR 100 CO 0.37 0.41 0.95 -1.58 -1.52 0.00 0.00 175.55 174.18 2k2c s HIS 101 N -0.31 2.70 -0.54 -3.49 5.65 -1.26 -3.74 115.29 114.30 2k2c s HIS 101 Ca 0.09 -0.46 -0.27 0.00 0.25 0.00 0.00 55.06 54.67 2k2c s HIS 101 Cb -0.12 -4.24 -0.01 0.00 -1.18 0.00 0.00 32.58 27.03 2k2c s HIS 101 CO 0.01 -1.59 1.70 0.00 -0.65 0.00 0.00 174.74 174.21 2k2c h GLU 103 N 13.22 0.97 -0.20 0.00 5.08 -1.95 0.11 114.58 131.81 2k2c h GLU 103 Ca -0.28 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2k2c h GLU 103 Cb 1.14 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2k2c h GLU 103 CO 1.17 0.64 0.11 -0.97 -1.00 0.00 0.00 179.01 178.96 2k2c h ASN 104 N 1.00 0.26 1.52 1.42 -0.00 -1.97 -3.13 115.58 114.68 2k2c h ASN 104 Ca 0.27 -0.10 -0.07 0.00 -0.00 0.00 0.00 56.30 56.40 2k2c h ASN 104 Cb -0.11 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.13 2k2c h ASN 104 CO -0.06 0.28 -0.49 0.00 -0.00 0.00 0.00 177.43 177.17 2k2c n GLY 106 N 1.20 0.12 3.11 0.00 0.00 0.36 -5.04 105.19 104.94 2k2c n GLY 106 Ca 0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 2k2c n GLY 106 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k2c s ILE 107 N -2.53 0.19 -0.06 -0.61 -4.36 -1.22 -4.97 121.20 107.65 2k2c s ILE 107 Ca 0.04 -1.60 -0.03 0.00 -0.26 0.00 0.00 60.65 58.81 2k2c s ILE 107 Cb -0.02 -1.39 0.04 0.00 1.25 0.00 0.00 42.46 42.34 2k2c s ILE 107 CO 0.05 -0.88 0.11 0.00 0.24 0.00 0.00 174.94 174.46 2k2c s ARG 109 N 2.17 1.33 0.24 0.00 1.81 -1.25 -4.97 118.95 118.28 2k2c s ARG 109 Ca 0.03 -1.70 -0.30 0.00 -1.72 0.00 0.00 55.73 52.04 2k2c s ARG 109 Cb -0.12 -0.19 -0.10 0.00 -0.45 0.00 0.00 34.95 34.09 2k2c s ARG 109 CO -0.04 -0.28 1.47 0.42 -0.68 0.00 0.00 175.30 176.19 2k2c s ILE 110 N -3.79 2.62 0.00 1.52 -1.09 -1.26 -3.65 121.20 115.55 2k2c s ILE 110 Ca 0.35 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 2k2c s ILE 110 Cb 0.07 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 2k2c s ILE 110 CO 0.12 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.51 2k2c n GLY 111 N 2.42 2.86 3.65 6.18 0.00 -1.26 -4.98 105.19 114.07 2k2c n GLY 111 Ca 0.08 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2k2c n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2c s PRO 112 N 0.00 4.02 0.53 1.61 0.04 -1.26 -3.64 135.00 136.31 2k2c s PRO 112 Ca 0.00 1.92 0.27 0.00 0.04 0.00 0.00 61.00 63.23 2k2c s PRO 112 Cb 0.00 -3.98 1.51 0.00 0.04 0.00 0.00 34.50 32.07 2k2c s PRO 112 CO 0.00 -1.02 2.11 1.57 0.04 0.00 0.00 177.00 179.70 2k2c h LYS 113 N 9.91 0.00 -0.60 4.56 2.10 -1.83 0.80 116.57 131.50 2k2c h LYS 113 Ca -0.35 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.23 2k2c h LYS 113 Cb 1.16 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.46 2k2c h LYS 113 CO 0.97 0.09 0.12 1.05 -2.00 0.00 0.00 179.45 179.68 2k2c h GLU 114 N 0.00 0.96 -0.53 0.07 9.09 -1.90 -3.11 114.58 119.17 2k2c h GLU 114 Ca -0.00 -0.23 0.00 0.00 0.05 0.00 0.00 59.36 59.18 2k2c h GLU 114 Cb 0.24 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2k2c h GLU 114 CO 0.01 0.88 0.00 -3.47 0.05 0.00 0.00 179.01 176.48 2k2c n ASP 115 N -4.24 5.29 -4.02 3.06 2.03 0.17 -4.93 116.55 113.92 2k2c n ASP 115 Ca 0.04 -2.87 -0.16 0.00 0.52 0.00 0.00 54.79 52.32 2k2c n ASP 115 Cb 0.26 -0.64 -0.09 0.00 -0.72 0.00 0.00 41.12 39.92 2k2c n ASP 115 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2k2c s PHE 116 N -2.63 1.43 0.23 -0.67 0.40 -0.59 -1.66 117.98 114.48 2k2c s PHE 116 Ca 0.52 -1.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.23 2k2c s PHE 116 Cb 0.39 -0.71 0.05 0.00 0.51 0.00 0.00 43.02 43.25 2k2c s PHE 116 CO 0.16 -0.61 0.86 -0.59 0.70 0.00 0.00 175.22 175.74 2k2c s PHE 117 N -3.83 -0.10 -0.19 0.36 -0.71 -0.65 -4.80 117.98 108.06 2k2c s PHE 117 Ca 0.38 -0.32 -0.06 0.00 -1.04 0.00 0.00 56.93 55.90 2k2c s PHE 117 Cb 0.06 0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 42.53 2k2c s PHE 117 CO 0.16 -1.08 0.03 -1.58 -1.34 0.00 0.00 175.22 171.41 2k2c s HIS 118 N -3.30 3.14 -0.61 3.49 5.65 -1.26 -1.27 115.29 121.13 2k2c s HIS 118 Ca 0.13 -0.15 -0.24 0.00 0.25 0.00 0.00 55.06 55.05 2k2c s HIS 118 Cb -0.04 -2.07 0.05 0.00 -1.18 0.00 0.00 32.58 29.35 2k2c s HIS 118 CO 0.05 -0.01 1.00 0.00 -0.65 0.00 0.00 174.74 175.14 2k2c h LEU 120 N 11.40 -0.25 -3.49 0.00 4.07 -1.94 -0.23 115.31 124.86 2k2c h LEU 120 Ca -0.27 -0.10 -0.32 0.00 0.08 0.00 0.00 57.88 57.27 2k2c h LEU 120 Cb 1.07 0.07 -0.14 0.00 1.08 0.00 0.00 40.66 42.74 2k2c h LEU 120 CO 1.15 -0.06 0.41 1.17 -1.08 0.00 0.00 178.44 180.03 2k2c n LYS 121 N -5.16 1.80 0.00 1.13 3.00 -1.26 -2.58 118.16 115.09 2k2c n LYS 121 Ca -0.09 -1.54 0.00 0.00 -0.00 0.00 0.00 58.31 56.67 2k2c n LYS 121 Cb 0.19 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.61 2k2c n LYS 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k2c n ASN 123 N 0.00 0.00 -4.87 0.00 5.03 -0.11 -4.97 115.26 110.34 2k2c n ASN 123 Ca 0.00 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.19 2k2c n ASN 123 Cb 0.00 -0.14 -0.04 0.00 -1.02 0.00 0.00 39.78 38.58 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2k2c s LEU 124 N 0.00 4.07 0.79 3.41 2.96 -1.24 -4.96 118.68 123.71 2k2c s LEU 124 Ca 0.00 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 2k2c s LEU 124 Cb 0.00 -2.66 0.06 0.00 0.50 0.00 0.00 46.19 44.10 2k2c s LEU 124 CO 0.00 0.06 1.11 0.00 -1.32 0.00 0.00 176.35 176.21 2k2c s LEU 126 N -5.67 0.36 0.38 0.00 2.96 -0.40 -4.78 118.68 111.54 2k2c s LEU 126 Ca 0.61 -0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 53.93 2k2c s LEU 126 Cb -0.13 1.87 -0.10 0.00 0.50 0.00 0.00 46.19 48.32 2k2c s LEU 126 CO 0.53 -0.88 0.93 0.00 -1.32 0.00 0.00 176.35 175.61 2k2c s ALA 127 N -3.82 3.13 0.34 5.97 0.00 -1.26 -1.64 121.76 124.48 2k2c s ALA 127 Ca 0.04 0.43 0.27 0.00 0.00 0.00 0.00 51.96 52.70 2k2c s ALA 127 Cb 0.01 -3.14 1.31 0.00 0.00 0.00 0.00 23.12 21.31 2k2c s ALA 127 CO -0.10 0.16 2.01 1.98 0.00 0.00 0.00 175.76 179.80 2k2c h MET 128 N 2.50 0.00 0.00 0.00 4.05 -1.63 -2.38 114.93 117.47 2k2c h MET 128 Ca -0.48 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 58.82 2k2c h MET 128 Cb 1.18 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 2k2c h MET 128 CO 0.63 0.15 -0.56 -0.91 0.23 0.00 0.00 176.91 176.45 2k2c h ASN 129 N 0.00 0.00 0.36 1.39 4.21 -1.94 -3.35 115.58 116.25 2k2c h ASN 129 Ca -0.00 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.19 2k2c h ASN 129 Cb 0.45 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 2k2c h ASN 129 CO 0.02 0.56 -1.67 0.25 -1.29 0.00 0.00 177.43 175.30 2k2c h LEU 130 N 0.00 0.38 -9.60 1.61 7.12 -1.83 -3.48 115.31 109.51 2k2c h LEU 130 Ca -0.01 -0.61 -0.58 0.00 0.13 0.00 0.00 57.88 56.82 2k2c h LEU 130 Cb 1.37 -0.12 0.09 0.00 -0.53 0.00 0.00 40.66 41.46 2k2c h LEU 130 CO 0.07 1.52 0.60 0.00 -0.13 0.00 0.00 178.44 180.50 2k2c n GLN 131 N -3.43 2.04 0.00 1.25 10.64 -1.13 -2.37 117.38 124.39 2k2c n GLN 131 Ca -0.20 0.73 0.00 0.00 -1.83 0.00 0.00 57.00 55.69 2k2c n GLN 131 Cb 1.05 -2.37 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 2k2c n GLN 131 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k2c n GLY 132 N 2.01 1.07 0.71 2.61 0.00 -1.26 -4.86 105.19 105.47 2k2c n GLY 132 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 2k2c n GLY 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k2c n ARG 133 N -0.02 1.93 -4.29 1.61 0.63 -1.00 -4.94 116.66 110.59 2k2c n ARG 133 Ca 0.00 -1.41 -0.35 0.00 -0.92 0.00 0.00 57.85 55.18 2k2c n ARG 133 Cb 0.00 -1.42 -0.10 0.00 0.45 0.00 0.00 32.46 31.39 2k2c n ARG 133 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2k2c s HIS 134 N -1.72 3.16 -0.05 -0.14 2.46 -1.26 -5.09 115.29 112.64 2k2c s HIS 134 Ca 0.34 0.06 -0.29 0.00 0.47 0.00 0.00 55.06 55.64 2k2c s HIS 134 Cb 0.19 -1.90 -0.02 0.00 -0.13 0.00 0.00 32.58 30.72 2k2c s HIS 134 CO 0.27 0.29 0.94 -1.59 -2.47 0.00 0.00 174.74 172.18 2k2c s LYS 135 N -0.32 4.48 0.00 2.88 -2.85 -1.26 -4.94 119.74 117.74 2k2c s LYS 135 Ca 0.07 1.30 0.00 0.00 -1.00 0.00 0.00 55.97 56.34 2k2c s LYS 135 Cb -0.12 -3.49 0.00 0.00 -2.06 0.00 0.00 37.83 32.16 2k2c s LYS 135 CO 0.02 -0.13 0.51 0.00 0.10 0.00 0.00 175.35 175.85