#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2c s ALA 2 N 0.00 -1.89 0.13 3.17 0.00 -1.26 -5.15 121.76 116.77 2k2c s ALA 2 Ca 0.00 1.81 -0.31 0.00 0.00 0.00 0.00 51.96 53.45 2k2c s ALA 2 Cb 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.95 2k2c s ALA 2 CO 0.00 -0.29 1.48 0.00 0.00 0.00 0.00 175.76 176.94 2k2c s ALA 3 N -0.11 3.68 -1.10 0.00 0.00 -1.26 -4.92 121.76 118.04 2k2c s ALA 3 Ca -0.00 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 2k2c s ALA 3 Cb -0.04 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 2k2c s ALA 3 CO -0.01 -0.71 1.91 0.95 0.00 0.00 0.00 175.76 177.91 2k2c s THR 4 N 1.20 3.56 -0.05 0.00 -4.23 -1.26 -4.95 115.64 109.91 2k2c s THR 4 Ca 0.67 -0.80 -0.28 0.00 -1.18 0.00 0.00 61.69 60.10 2k2c s THR 4 Cb -0.40 -4.44 -0.03 0.00 1.34 0.00 0.00 72.50 68.97 2k2c s THR 4 CO 0.31 -1.06 0.89 0.00 -0.54 0.00 0.00 174.62 174.22 2k2c s ALA 5 N 10.20 3.28 -0.53 3.99 0.00 -1.26 -5.01 121.76 132.43 2k2c s ALA 5 Ca 0.67 0.35 0.07 0.00 0.00 0.00 0.00 51.96 53.06 2k2c s ALA 5 Cb -0.02 -3.23 0.25 0.00 0.00 0.00 0.00 23.12 20.11 2k2c s ALA 5 CO 0.08 -0.29 0.65 2.89 0.00 0.00 0.00 175.76 179.10 2k2c n ARG 6 N 4.14 1.77 -2.22 0.00 0.00 -1.26 -5.04 116.66 114.05 2k2c n ARG 6 Ca 0.04 -4.06 -0.32 0.00 -0.00 0.00 0.00 57.85 53.51 2k2c n ARG 6 Cb 0.51 -1.82 -0.04 0.00 -0.00 0.00 0.00 32.46 31.11 2k2c n ARG 6 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2k2c s GLU 7 N -1.94 2.92 0.01 2.89 2.12 -1.26 -4.72 118.70 118.71 2k2c s GLU 7 Ca 0.38 -0.79 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 2k2c s GLU 7 Cb 0.16 -5.21 -0.28 0.00 0.26 0.00 0.00 34.13 29.06 2k2c s GLU 7 CO -0.05 -3.11 1.04 0.38 -0.54 0.00 0.00 175.26 172.97 2k2c h ASP 8 N 10.33 0.66 0.00 -1.70 2.03 -2.05 -3.48 116.42 122.21 2k2c h ASP 8 Ca 0.17 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.63 2k2c h ASP 8 Cb 0.98 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 2k2c h ASP 8 CO 1.29 1.44 0.00 0.61 -1.03 0.00 0.00 179.24 181.55 2k2c n GLY 9 N 1.39 0.42 3.08 7.15 0.00 -1.26 -4.84 105.19 111.12 2k2c n GLY 9 Ca -0.13 0.65 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 2k2c n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c n ALA 10 N 8.07 -0.99 -1.77 4.61 0.00 -1.26 -4.96 120.51 124.21 2k2c n ALA 10 Ca 0.00 0.24 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 2k2c n ALA 10 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 19.45 15.85 2k2c n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2k2c s THR 11 N -3.11 2.72 0.03 0.00 -1.32 -1.26 -5.04 115.64 107.65 2k2c s THR 11 Ca 0.32 0.70 -0.08 0.00 -1.21 0.00 0.00 61.69 61.41 2k2c s THR 11 Cb -0.15 -3.43 -0.00 0.00 -1.51 0.00 0.00 72.50 67.41 2k2c s THR 11 CO 0.39 0.14 0.15 -0.83 -2.21 0.00 0.00 174.62 172.26 2k2c s GLY 12 N -0.61 0.07 -0.07 6.08 0.00 -1.26 -5.16 107.32 106.37 2k2c s GLY 12 Ca 0.52 -0.29 0.04 0.00 0.00 0.00 0.00 44.72 44.98 2k2c s GLY 12 CO 0.51 -0.45 -0.18 -0.54 0.00 0.00 0.00 173.10 172.44 2k2c s GLU 13 N -2.17 2.15 -0.35 2.90 2.02 -1.26 -5.03 118.70 116.96 2k2c s GLU 13 Ca -0.08 -0.64 -0.00 0.00 0.02 0.00 0.00 54.97 54.26 2k2c s GLU 13 Cb -0.03 -1.75 0.29 0.00 0.10 0.00 0.00 34.13 32.73 2k2c s GLU 13 CO -0.02 0.17 1.90 0.39 0.02 0.00 0.00 175.26 177.72 2k2c n GLU 14 N 3.44 1.90 -4.15 1.61 -0.58 -1.26 -4.93 120.64 116.67 2k2c n GLU 14 Ca -0.20 -1.84 -0.27 0.00 -0.42 0.00 0.00 57.16 54.44 2k2c n GLU 14 Cb 0.52 -1.72 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 2k2c n GLU 14 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2k2c s ARG 15 N -2.11 2.59 -0.95 3.49 6.06 -1.26 -5.05 118.95 121.72 2k2c s ARG 15 Ca 0.36 -1.00 -0.24 0.00 -2.50 0.00 0.00 55.73 52.35 2k2c s ARG 15 Cb 0.29 -2.48 -0.02 0.00 0.06 0.00 0.00 34.95 32.80 2k2c s ARG 15 CO 0.01 0.47 1.79 0.20 -2.50 0.00 0.00 175.30 175.28 2k2c s GLY 16 N -2.94 0.53 0.24 8.12 0.00 -1.26 -4.96 107.32 107.05 2k2c s GLY 16 Ca 0.29 -1.77 0.11 0.00 0.00 0.00 0.00 44.72 43.35 2k2c s GLY 16 CO 0.20 3.24 -0.17 1.20 0.00 0.00 0.00 173.10 177.57 2k2c s GLN 17 N 6.34 1.78 0.25 2.90 -0.21 -1.26 -5.14 119.66 124.32 2k2c s GLN 17 Ca 0.62 -1.59 -0.10 0.00 0.02 0.00 0.00 55.36 54.32 2k2c s GLN 17 Cb -0.04 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 32.06 2k2c s GLN 17 CO -0.03 0.37 0.43 -0.98 -2.12 0.00 0.00 175.29 172.95 2k2c s ARG 18 N -3.23 1.55 0.00 2.91 3.03 -1.26 -5.02 118.95 116.93 2k2c s ARG 18 Ca 0.27 -1.37 0.00 0.00 2.03 0.00 0.00 55.73 56.66 2k2c s ARG 18 Cb -0.06 0.44 0.00 0.00 -1.03 0.00 0.00 34.95 34.29 2k2c s ARG 18 CO 0.14 -0.63 0.00 0.41 -1.13 0.00 0.00 175.30 174.10 2k2c n GLY 19 N -0.39 -1.21 3.47 3.88 0.00 -1.15 -4.73 105.19 105.07 2k2c n GLY 19 Ca -0.01 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 2k2c n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c n GLU 21 N 0.25 0.17 -0.06 0.00 0.00 -1.26 -1.77 120.64 117.96 2k2c n GLU 21 Ca -0.18 0.54 -0.09 0.00 0.00 0.00 0.00 57.16 57.44 2k2c n GLU 21 Cb 0.61 -1.92 -0.08 0.00 0.00 0.00 0.00 31.44 30.05 2k2c n GLU 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2k2c h HIS 22 N 0.00 0.00 -3.39 -1.84 3.86 -2.02 -3.47 115.15 108.29 2k2c h HIS 22 Ca 0.00 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 2k2c h HIS 22 Cb 0.17 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 28.28 2k2c h HIS 22 CO 0.00 0.61 -0.75 0.71 0.86 0.00 0.00 177.93 179.36 2k2c s TYR 23 N -1.96 0.34 -0.77 2.45 2.02 -0.73 -5.10 117.35 113.60 2k2c s TYR 23 Ca -0.12 0.02 -0.22 0.00 -0.37 0.00 0.00 57.07 56.39 2k2c s TYR 23 Cb -0.02 -0.53 0.09 0.00 -0.40 0.00 0.00 41.96 41.10 2k2c s TYR 23 CO 0.42 -0.20 1.06 -0.51 -1.57 0.00 0.00 175.55 174.75 2k2c s ASP 24 N 1.55 6.33 -0.04 2.29 1.11 -1.23 -1.25 116.67 125.43 2k2c s ASP 24 Ca -0.02 -1.32 -0.04 0.00 0.18 0.00 0.00 52.55 51.34 2k2c s ASP 24 Cb -0.13 -2.43 0.01 0.00 1.07 0.00 0.00 42.92 41.44 2k2c s ASP 24 CO -0.03 -1.34 0.11 0.00 1.18 0.00 0.00 175.17 175.09 2k2c s ARG 25 N 3.76 0.18 -0.10 8.23 1.70 -1.26 -2.14 118.95 129.32 2k2c s ARG 25 Ca 0.27 0.07 0.03 0.00 -0.47 0.00 0.00 55.73 55.62 2k2c s ARG 25 Cb -0.12 0.08 0.22 0.00 -0.57 0.00 0.00 34.95 34.56 2k2c s ARG 25 CO 0.03 -0.03 1.07 0.41 -1.08 0.00 0.00 175.30 175.70 2k2c n GLY 26 N 2.78 2.34 3.23 3.88 0.00 -1.22 -2.91 105.19 113.29 2k2c n GLY 26 Ca -0.14 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.44 4.00 -0.06 0.00 1.43 -0.39 -4.63 118.68 117.60 2k2c s LEU 28 Ca -0.12 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 2k2c s LEU 28 Cb -0.05 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 2k2c s LEU 28 CO 0.03 0.24 1.80 -0.76 0.23 0.00 0.00 176.35 177.88 2k2c s LEU 29 N -0.00 4.24 -0.66 1.79 1.43 0.65 -1.58 118.68 124.54 2k2c s LEU 29 Ca 0.07 2.27 -0.27 0.00 -1.03 0.00 0.00 54.13 55.18 2k2c s LEU 29 Cb -0.12 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.57 2k2c s LEU 29 CO 0.00 -1.09 1.65 -0.75 0.23 0.00 0.00 176.35 176.39 2k2c s LYS 30 N 4.44 2.83 -0.43 1.70 2.47 -0.78 -1.92 119.74 128.06 2k2c s LYS 30 Ca 0.80 0.28 -0.28 0.00 -1.56 0.00 0.00 55.97 55.21 2k2c s LYS 30 Cb -0.35 -4.33 -0.00 0.00 -1.46 0.00 0.00 37.83 31.69 2k2c s LYS 30 CO 0.34 -2.53 1.56 0.00 0.16 0.00 0.00 175.35 174.88 2k2c s ALA 31 N 7.86 2.88 -0.83 3.13 0.00 -0.17 -4.27 121.76 130.36 2k2c s ALA 31 Ca 0.55 -0.16 0.20 0.00 0.00 0.00 0.00 51.96 52.56 2k2c s ALA 31 Cb -0.11 -4.02 0.84 0.00 0.00 0.00 0.00 23.12 19.83 2k2c s ALA 31 CO 0.18 -2.67 1.64 -0.35 0.00 0.00 0.00 175.76 174.55 2k2c n PRO 32 N 8.36 0.08 0.08 0.00 -0.04 -1.26 -0.23 135.00 142.00 2k2c n PRO 32 Ca 0.18 0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 63.80 2k2c n PRO 32 Cb 0.48 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 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 -0.09 -0.81 -4.95 0.00 2.03 0.68 -4.96 116.55 108.46 2k2c n ASP 35 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2k2c n ASP 35 Cb 0.22 -1.91 -0.00 0.00 -0.72 0.00 0.00 41.12 38.70 2k2c n ASP 35 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k2c s LYS 36 N -0.82 3.32 -0.22 -0.67 1.02 -1.20 -4.79 119.74 116.37 2k2c s LYS 36 Ca 0.00 -0.41 -0.03 0.00 0.02 0.00 0.00 55.97 55.55 2k2c s LYS 36 Cb 0.00 -2.63 -0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2k2c s LYS 36 CO 0.00 -0.01 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.86 2k2c s LEU 37 N -4.40 2.86 -0.03 3.17 2.01 -1.26 -1.00 118.68 120.02 2k2c s LEU 37 Ca 0.43 -0.45 0.01 0.00 0.01 0.00 0.00 54.13 54.13 2k2c s LEU 37 Cb -0.10 -1.72 0.02 0.00 0.01 0.00 0.00 46.19 44.41 2k2c s LEU 37 CO 0.37 -0.03 -0.02 -0.31 1.01 0.00 0.00 176.35 177.37 2k2c s TYR 38 N 1.46 0.47 0.20 0.29 2.02 -0.81 -4.88 117.35 116.10 2k2c s TYR 38 Ca 0.05 -0.07 -0.10 0.00 -0.37 0.00 0.00 57.07 56.58 2k2c s TYR 38 Cb -0.14 -0.49 0.26 0.00 -0.40 0.00 0.00 41.96 41.18 2k2c s TYR 38 CO -0.04 -0.15 1.74 1.15 -1.57 0.00 0.00 175.55 176.69 2k2c h THR 39 N 6.19 0.78 -3.96 -0.71 2.02 -1.87 0.18 112.91 115.55 2k2c h THR 39 Ca -0.41 -0.14 -0.69 0.00 0.77 0.00 0.00 66.41 65.95 2k2c h THR 39 Cb 1.14 0.35 -0.22 0.00 -1.74 0.00 0.00 68.15 67.68 2k2c h THR 39 CO 0.48 0.07 -0.82 0.00 0.37 0.00 0.00 175.52 175.62 2k2c h ARG 41 N 4.34 0.66 0.00 0.00 -0.00 -1.90 -2.29 114.38 115.18 2k2c h ARG 41 Ca -0.48 -0.14 -0.05 0.00 -0.00 0.00 0.00 59.98 59.30 2k2c h ARG 41 Cb 1.16 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 31.02 2k2c h ARG 41 CO 0.46 0.64 -0.26 1.37 -0.00 0.00 0.00 179.97 182.19 2k2c h LEU 42 N 0.63 0.00 -0.97 0.08 8.10 -1.96 -2.42 115.31 118.77 2k2c h LEU 42 Ca 0.14 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.08 2k2c h LEU 42 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 2k2c h LEU 42 CO 0.01 0.26 -0.23 0.00 -4.11 0.00 0.00 178.44 174.36 2k2c h HIS 44 N 0.00 -0.25 0.00 0.00 -0.00 -1.39 -3.35 115.15 110.16 2k2c h HIS 44 Ca -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2k2c h HIS 44 Cb 0.81 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2k2c h HIS 44 CO 0.00 0.14 -0.01 0.22 -0.00 0.00 0.00 177.93 178.29 2k2c h ASP 45 N -0.88 0.00 -0.07 3.26 3.58 -1.24 0.10 116.42 121.16 2k2c h ASP 45 Ca -0.03 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 2k2c h ASP 45 Cb 0.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 2k2c h ASP 45 CO 0.05 0.01 -0.54 -1.13 -2.88 0.00 0.00 179.24 174.74 2k2c h ASN 46 N 0.00 0.73 0.07 2.28 -0.00 -1.07 -3.36 115.58 114.24 2k2c h ASN 46 Ca -0.00 -0.39 -0.38 0.00 -0.00 0.00 0.00 56.30 55.54 2k2c h ASN 46 Cb 0.10 -0.21 -0.04 0.00 -0.00 0.00 0.00 38.32 38.17 2k2c h ASN 46 CO 0.00 1.13 -2.21 0.59 -0.00 0.00 0.00 177.43 176.94 2k2c n ASN 47 N -3.98 2.05 -4.94 1.15 3.02 -0.56 -5.02 115.26 106.98 2k2c n ASN 47 Ca -0.03 0.06 -0.19 0.00 -0.03 0.00 0.00 54.58 54.38 2k2c n ASN 47 Cb 0.61 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 2k2c n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k2c s GLU 48 N -2.54 2.90 0.30 3.52 2.02 -0.09 -5.04 118.70 119.78 2k2c s GLU 48 Ca -0.28 -1.18 0.07 0.00 0.02 0.00 0.00 54.97 53.60 2k2c s GLU 48 Cb 0.08 -2.67 0.48 0.00 0.10 0.00 0.00 34.13 32.12 2k2c s GLU 48 CO 0.70 -0.00 1.71 0.38 0.02 0.00 0.00 175.26 178.07 2k2c h ASP 49 N 0.97 0.22 -4.62 -0.19 2.03 -1.87 -3.42 116.42 109.55 2k2c h ASP 49 Ca -0.44 -0.09 -0.52 0.00 -0.73 0.00 0.00 57.03 55.24 2k2c h ASP 49 Cb 1.26 -0.06 -0.10 0.00 -0.83 0.00 0.00 39.33 39.59 2k2c h ASP 49 CO 0.54 0.62 -0.39 0.00 -1.03 0.00 0.00 179.24 178.97 2k2c n HIS 50 N -4.03 0.72 -2.85 4.15 1.44 -1.26 -5.10 115.22 108.30 2k2c n HIS 50 Ca -0.01 -2.10 -0.34 0.00 -2.01 0.00 0.00 57.72 53.25 2k2c n HIS 50 Cb 0.47 -0.20 -0.07 0.00 0.12 0.00 0.00 29.99 30.32 2k2c n HIS 50 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 2k2c s GLN 51 N -3.45 4.32 -0.13 -1.40 -2.07 -1.26 -4.16 119.66 111.51 2k2c s GLN 51 Ca 0.05 1.13 -0.25 0.00 -1.82 0.00 0.00 55.36 54.47 2k2c s GLN 51 Cb 0.00 -2.43 -0.02 0.00 -1.09 0.00 0.00 33.01 29.47 2k2c s GLN 51 CO 0.04 0.10 0.82 -1.17 -1.32 0.00 0.00 175.29 173.76 2k2c s LEU 52 N -2.75 4.22 -0.98 2.60 0.20 -1.26 -4.95 118.68 115.77 2k2c s LEU 52 Ca 0.57 1.22 -0.24 0.00 0.69 0.00 0.00 54.13 56.37 2k2c s LEU 52 Cb -0.12 -3.23 0.02 0.00 -0.43 0.00 0.00 46.19 42.42 2k2c s LEU 52 CO 0.17 -0.33 1.61 -1.81 -0.29 0.00 0.00 176.35 175.70 2k2c s ASP 53 N 1.08 6.06 0.59 3.68 1.01 -1.26 -4.84 116.67 122.98 2k2c s ASP 53 Ca 0.39 -1.18 0.30 0.00 0.71 0.00 0.00 52.55 52.77 2k2c s ASP 53 Cb -0.17 -2.57 1.83 0.00 1.01 0.00 0.00 42.92 43.02 2k2c s ASP 53 CO 0.15 -1.91 2.25 0.08 0.21 0.00 0.00 175.17 175.95 2k2c h ARG 54 N 10.31 0.00 0.12 8.23 0.11 -1.95 -1.29 114.38 129.91 2k2c h ARG 54 Ca 0.16 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.96 2k2c h ARG 54 Cb 1.01 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.11 2k2c h ARG 54 CO 1.36 0.01 -1.22 0.74 0.10 0.00 0.00 179.97 180.95 2k2c h PHE 55 N 0.00 0.75 -0.10 4.08 0.04 -1.89 -3.37 116.94 116.46 2k2c h PHE 55 Ca -0.00 -0.50 0.00 0.00 2.80 0.00 0.00 57.97 60.27 2k2c h PHE 55 Cb 0.02 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.11 2k2c h PHE 55 CO 0.00 1.36 0.00 1.63 -0.60 0.00 0.00 178.31 180.70 2k2c n LYS 56 N -3.68 1.76 -1.97 1.51 4.76 -0.51 -4.82 118.16 115.22 2k2c n LYS 56 Ca -0.11 -1.13 -0.43 0.00 -2.87 0.00 0.00 58.31 53.77 2k2c n LYS 56 Cb 0.99 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.71 2k2c n LYS 56 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2k2c s VAL 57 N -1.89 3.50 -0.00 -0.18 -7.23 -1.09 -4.76 120.40 108.75 2k2c s VAL 57 Ca 0.35 0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 60.99 2k2c s VAL 57 Cb 0.19 -3.48 -0.32 0.00 0.56 0.00 0.00 36.38 33.33 2k2c s VAL 57 CO 0.30 -0.16 0.86 0.50 -0.31 0.00 0.00 175.10 176.29 2k2c h LYS 58 N 10.90 0.43 0.00 4.82 1.63 -1.88 -3.46 116.57 129.01 2k2c h LYS 58 Ca -0.38 -0.74 -0.60 0.00 -0.85 0.00 0.00 60.65 58.08 2k2c h LYS 58 Cb 1.18 0.27 -0.12 0.00 -0.60 0.00 0.00 32.23 32.97 2k2c h LYS 58 CO 0.98 1.34 -0.45 0.39 -3.45 0.00 0.00 179.45 178.25 2k2c n GLU 59 N -3.62 0.78 -3.66 1.90 1.02 -1.26 -1.61 120.64 114.18 2k2c n GLU 59 Ca -0.19 -3.45 -0.10 0.00 -0.02 0.00 0.00 57.16 53.39 2k2c n GLU 59 Cb 1.08 1.15 -0.04 0.00 -0.02 0.00 0.00 31.44 33.61 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 -2.81 0.05 0.03 2.62 -7.23 -0.15 -1.87 120.40 111.05 2k2c s VAL 60 Ca 0.05 -0.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.63 2k2c s VAL 60 Cb 0.00 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2k2c s VAL 60 CO 0.03 -0.24 -0.07 0.00 -0.31 0.00 0.00 175.10 174.51 2k2c s GLN 61 N -3.83 2.45 -0.28 4.82 1.03 -0.61 -1.89 119.66 121.36 2k2c s GLN 61 Ca 0.05 -0.80 -0.24 0.00 0.04 0.00 0.00 55.36 54.41 2k2c s GLN 61 Cb 0.01 -2.46 -0.00 0.00 0.03 0.00 0.00 33.01 30.59 2k2c s GLN 61 CO -0.09 0.57 0.83 0.00 -2.54 0.00 0.00 175.29 174.06 2k2c n ILE 63 N 5.45 3.92 0.00 0.00 5.41 -0.70 -0.16 119.36 133.28 2k2c n ILE 63 Ca 0.05 -2.47 0.00 0.00 1.00 0.00 0.00 62.75 61.33 2k2c n ILE 63 Cb 0.48 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 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 2.78 0.00 -0.07 4.38 5.15 -1.26 -4.71 115.26 121.53 2k2c n ASN 64 Ca 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.61 2k2c n ASN 64 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 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 0.00 -1.39 -2.17 0.00 1.02 0.77 -4.92 120.64 113.95 2k2c n GLU 66 Ca 0.00 0.93 -0.42 0.00 -0.02 0.00 0.00 57.16 57.65 2k2c n GLU 66 Cb 0.52 -5.22 -0.03 0.00 -0.02 0.00 0.00 31.44 26.69 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 -3.29 4.23 -0.57 3.49 2.47 -1.25 -4.55 119.74 120.27 2k2c s LYS 67 Ca 0.00 1.99 -0.26 0.00 -1.56 0.00 0.00 55.97 56.15 2k2c s LYS 67 Cb 0.00 -3.78 0.04 0.00 -1.46 0.00 0.00 37.83 32.62 2k2c s LYS 67 CO 0.00 -0.72 1.05 0.42 0.16 0.00 0.00 175.35 176.26 2k2c s ILE 68 N 3.32 4.23 0.15 5.43 -1.09 -1.26 -0.98 121.20 131.00 2k2c s ILE 68 Ca 0.66 0.53 0.05 0.00 -2.23 0.00 0.00 60.65 59.65 2k2c s ILE 68 Cb -0.30 -4.62 -0.04 0.00 -1.58 0.00 0.00 42.46 35.91 2k2c s ILE 68 CO 0.25 -1.22 -0.10 0.00 -1.23 0.00 0.00 174.94 172.64 2k2c s GLN 69 N 4.38 1.08 0.53 2.79 0.00 -0.79 -5.00 119.66 122.65 2k2c s GLN 69 Ca 0.35 -1.46 -0.20 0.00 -0.00 0.00 0.00 55.36 54.06 2k2c s GLN 69 Cb -0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 33.01 32.19 2k2c s GLN 69 CO 0.22 0.08 1.12 -1.01 0.00 0.00 0.00 175.29 175.70 2k2c s HIS 70 N -3.30 2.70 -0.69 9.60 3.76 -1.26 -0.98 115.29 125.11 2k2c s HIS 70 Ca 0.17 1.55 -0.26 0.00 -0.15 0.00 0.00 55.06 56.37 2k2c s HIS 70 Cb 0.02 -3.28 -0.07 0.00 1.11 0.00 0.00 32.58 30.36 2k2c s HIS 70 CO 0.01 -1.52 2.20 0.00 -0.85 0.00 0.00 174.74 174.58 2k2c s ALA 71 N -1.77 1.47 0.00 -1.40 0.00 -0.63 -4.73 121.76 114.70 2k2c s ALA 71 Ca 0.72 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2k2c s ALA 71 Cb -0.24 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.43 2k2c s ALA 71 CO 0.27 -4.86 0.00 0.00 0.00 0.00 0.00 175.76 171.17 2k2c n GLN 72 N 8.96 3.97 -0.09 0.00 10.64 -1.26 -5.02 117.38 134.57 2k2c n GLN 72 Ca 0.37 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.38 2k2c n GLN 72 Cb 0.49 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.74 2k2c n GLN 72 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2k2c n GLN 73 N 0.00 0.68 -3.85 2.61 7.27 -1.26 -4.91 117.38 117.92 2k2c n GLN 73 Ca 0.00 0.14 -0.12 0.00 0.07 0.00 0.00 57.00 57.09 2k2c n GLN 73 Cb 0.00 -1.57 -0.13 0.00 2.41 0.00 0.00 30.24 30.94 2k2c n GLN 73 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k2c s THR 74 N -2.53 0.00 -0.38 1.69 2.01 -1.26 -0.91 115.64 114.26 2k2c s THR 74 Ca -0.24 -0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 2k2c s THR 74 Cb 0.08 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 72.47 2k2c s THR 74 CO 0.71 -0.02 1.77 0.00 -0.69 0.00 0.00 174.62 176.39 2k2c n GLU 76 N 8.51 0.74 0.08 0.00 0.28 -1.26 -0.06 120.64 128.93 2k2c n GLU 76 Ca 0.22 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 57.01 2k2c n GLU 76 Cb 0.48 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.70 2k2c n GLU 76 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2k2c h GLU 77 N 0.00 0.36 0.00 3.44 4.57 -1.99 -3.44 114.58 117.52 2k2c h GLU 77 Ca 0.00 -0.61 -0.04 0.00 -1.18 0.00 0.00 59.36 57.53 2k2c h GLU 77 Cb 0.00 0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 2k2c h GLU 77 CO 0.00 1.25 -0.26 0.00 -1.18 0.00 0.00 179.01 178.83 2k2c n SER 79 N 0.04 -4.99 -4.58 0.00 7.64 0.91 -4.94 113.62 107.70 2k2c n SER 79 Ca -0.04 0.27 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 2k2c n SER 79 Cb 0.64 -4.00 -0.02 0.00 -1.01 0.00 0.00 64.21 59.81 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 -2.69 3.82 -0.12 0.44 2.01 -1.22 -4.78 115.64 113.10 2k2c s THR 80 Ca 0.00 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 2k2c s THR 80 Cb 0.00 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2k2c s THR 80 CO 0.00 -1.08 1.48 -0.22 -0.69 0.00 0.00 174.62 174.11 2k2c s LEU 81 N 5.90 4.22 0.55 4.42 2.96 -1.26 -1.23 118.68 134.23 2k2c s LEU 81 Ca 0.54 1.93 0.35 0.00 -0.22 0.00 0.00 54.13 56.73 2k2c s LEU 81 Cb -0.11 -3.54 1.51 0.00 0.50 0.00 0.00 46.19 44.55 2k2c s LEU 81 CO 0.27 -0.89 2.03 -0.26 -1.32 0.00 0.00 176.35 176.17 2k2c h PHE 82 N 9.08 0.00 0.00 5.38 -1.00 -1.34 -3.26 116.94 125.80 2k2c h PHE 82 Ca -0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.45 2k2c h PHE 82 Cb 1.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.70 2k2c h PHE 82 CO 0.85 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.96 2k2c n GLY 83 N -0.15 3.12 0.31 -1.45 0.00 -1.26 -3.39 105.19 102.37 2k2c n GLY 83 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 2k2c n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k2c h GLU 84 N 0.00 0.94 -4.98 1.61 5.08 -1.66 -3.38 114.58 112.18 2k2c h GLU 84 Ca 0.00 -0.06 -0.64 0.00 -1.00 0.00 0.00 59.36 57.66 2k2c h GLU 84 Cb 0.00 -0.21 -0.21 0.00 0.50 0.00 0.00 28.75 28.83 2k2c h GLU 84 CO 0.00 0.62 -0.60 -0.47 -1.00 0.00 0.00 179.01 177.56 2k2c s TYR 85 N -6.09 3.13 0.17 4.33 5.04 -0.24 -4.83 117.35 118.86 2k2c s TYR 85 Ca -0.13 -0.26 0.10 0.00 -2.44 0.00 0.00 57.07 54.35 2k2c s TYR 85 Cb 0.17 -2.24 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 2k2c s TYR 85 CO 0.79 -0.26 -0.22 1.52 -1.34 0.00 0.00 175.55 176.04 2k2c s TYR 86 N 1.48 2.10 -0.23 4.97 1.13 -1.26 -1.23 117.35 124.31 2k2c s TYR 86 Ca 0.06 -0.40 -0.05 0.00 -1.41 0.00 0.00 57.07 55.27 2k2c s TYR 86 Cb -0.15 -1.06 0.12 0.00 -1.10 0.00 0.00 41.96 39.77 2k2c s TYR 86 CO 0.05 0.41 0.43 0.00 -2.51 0.00 0.00 175.55 173.93 2k2c h ASP 88 N 8.15 0.80 0.59 0.00 2.03 -1.94 0.14 116.42 126.18 2k2c h ASP 88 Ca -0.18 -0.80 -0.05 0.00 -0.73 0.00 0.00 57.03 55.26 2k2c h ASP 88 Cb 1.13 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.37 2k2c h ASP 88 CO 0.20 1.62 -0.26 0.40 -1.03 0.00 0.00 179.24 180.17 2k2c h ILE 89 N 0.19 0.79 0.00 4.15 2.04 -1.97 -2.17 117.51 120.54 2k2c h ILE 89 Ca -0.21 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.51 2k2c h ILE 89 Cb 2.04 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.74 2k2c h ILE 89 CO 0.25 0.25 -1.62 0.00 0.00 0.00 0.00 178.15 177.03 2k2c n HIS 91 N -2.61 0.00 -3.47 0.00 8.25 0.47 -4.32 115.22 113.54 2k2c n HIS 91 Ca -0.08 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.01 2k2c n HIS 91 Cb 0.71 -2.26 -0.08 0.00 1.12 0.00 0.00 29.99 29.49 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 -2.06 4.18 -0.07 2.41 0.05 -1.07 -4.96 118.68 117.17 2k2c s LEU 92 Ca 0.00 0.47 0.03 0.00 0.05 0.00 0.00 54.13 54.69 2k2c s LEU 92 Cb 0.00 -2.42 0.00 0.00 -2.05 0.00 0.00 46.19 41.72 2k2c s LEU 92 CO 0.00 0.00 -0.18 -0.36 -0.55 0.00 0.00 176.35 175.27 2k2c s PHE 93 N 0.96 1.92 0.21 3.48 0.08 -1.26 -1.98 117.98 121.40 2k2c s PHE 93 Ca 0.17 -0.71 -0.22 0.00 0.12 0.00 0.00 56.93 56.29 2k2c s PHE 93 Cb -0.14 -1.33 0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2k2c s PHE 93 CO 0.06 -0.30 0.72 0.34 -0.10 0.00 0.00 175.22 175.94 2k2c s ASP 94 N 0.40 -0.35 1.25 1.36 2.15 -0.36 -4.65 116.67 116.48 2k2c s ASP 94 Ca -0.14 -0.37 -0.18 0.00 0.43 0.00 0.00 52.55 52.29 2k2c s ASP 94 Cb -0.16 0.64 0.28 0.00 -0.30 0.00 0.00 42.92 43.39 2k2c s ASP 94 CO 0.05 -1.15 0.71 0.29 -0.17 0.00 0.00 175.17 174.90 2k2c n LYS 95 N -0.43 -3.13 -2.68 4.34 5.02 -0.91 -1.08 118.16 119.30 2k2c n LYS 95 Ca -0.08 -0.91 -0.43 0.00 -2.02 0.00 0.00 58.31 54.87 2k2c n LYS 95 Cb 0.61 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2k2c n LYS 95 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k2c s ASP 96 N -2.44 6.50 -0.22 4.39 2.15 -1.26 -4.02 116.67 121.76 2k2c s ASP 96 Ca 0.62 0.16 0.18 0.00 0.43 0.00 0.00 52.55 53.95 2k2c s ASP 96 Cb -0.17 -2.51 0.48 0.00 -0.30 0.00 0.00 42.92 40.41 2k2c s ASP 96 CO 0.60 -1.28 1.15 0.29 -0.17 0.00 0.00 175.17 175.76 2k2c n LYS 97 N 7.83 1.95 -0.81 4.34 5.02 -1.26 -4.97 118.16 130.26 2k2c n LYS 97 Ca 0.08 -3.43 0.00 0.00 -2.02 0.00 0.00 58.31 52.94 2k2c n LYS 97 Cb 0.49 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.50 -0.15 -2.42 1.97 4.76 -1.26 -4.50 118.16 116.05 2k2c n LYS 98 Ca 0.18 0.04 -0.39 0.00 -2.87 0.00 0.00 58.31 55.26 2k2c n LYS 98 Cb 0.89 -3.48 -0.04 0.00 -1.84 0.00 0.00 35.03 30.57 2k2c n LYS 98 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2k2c s GLN 99 N -0.52 4.40 0.24 1.97 0.00 -1.24 -2.25 119.66 122.26 2k2c s GLN 99 Ca 0.00 1.79 0.11 0.00 -0.00 0.00 0.00 55.36 57.25 2k2c s GLN 99 Cb 0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 33.01 30.02 2k2c s GLN 99 CO 0.00 0.00 -0.20 1.52 0.00 0.00 0.00 175.29 176.61 2k2c s TYR 100 N -1.31 2.16 -0.37 9.60 1.13 -1.24 -4.91 117.35 122.42 2k2c s TYR 100 Ca 0.50 -0.39 -0.19 0.00 -1.41 0.00 0.00 57.07 55.59 2k2c s TYR 100 Cb -0.30 -0.98 0.00 0.00 -1.10 0.00 0.00 41.96 39.58 2k2c s TYR 100 CO 0.39 0.58 0.55 -1.58 -2.51 0.00 0.00 175.55 172.98 2k2c s HIS 101 N -2.36 3.16 -0.74 -3.49 5.65 -1.26 -3.17 115.29 113.08 2k2c s HIS 101 Ca 0.26 0.15 -0.26 0.00 0.25 0.00 0.00 55.06 55.45 2k2c s HIS 101 Cb -0.05 -3.03 0.01 0.00 -1.18 0.00 0.00 32.58 28.33 2k2c s HIS 101 CO 0.12 -0.62 1.56 0.00 -0.65 0.00 0.00 174.74 175.15 2k2c h GLU 103 N 11.89 0.28 -0.02 0.00 -0.00 -1.96 0.60 114.58 125.36 2k2c h GLU 103 Ca -0.19 -0.08 -0.17 0.00 -0.00 0.00 0.00 59.36 58.92 2k2c h GLU 103 Cb 1.08 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.79 2k2c h GLU 103 CO 1.27 0.45 -0.74 -0.91 -0.00 0.00 0.00 179.01 179.08 2k2c h ASN 104 N 0.26 0.20 1.52 3.06 -0.26 -1.94 -3.17 115.58 115.26 2k2c h ASN 104 Ca 0.05 -0.14 -0.08 0.00 -0.56 0.00 0.00 56.30 55.58 2k2c h ASN 104 Cb 0.45 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 2k2c h ASN 104 CO 0.03 0.87 -0.49 0.00 -1.06 0.00 0.00 177.43 176.78 2k2c n GLY 106 N 1.20 0.47 3.23 0.00 0.00 0.16 -5.00 105.19 105.25 2k2c n GLY 106 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.94 0.34 0.21 -0.61 -4.36 -1.17 -4.72 121.20 108.95 2k2c s ILE 107 Ca 0.00 -1.98 0.11 0.00 -0.26 0.00 0.00 60.65 58.52 2k2c s ILE 107 Cb 0.00 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 2k2c s ILE 107 CO 0.00 -0.20 -0.21 0.00 0.24 0.00 0.00 174.94 174.77 2k2c s ARG 109 N -2.86 0.33 -0.46 0.00 3.00 -1.19 -4.97 118.95 112.79 2k2c s ARG 109 Ca 0.23 -0.07 -0.27 0.00 -1.00 0.00 0.00 55.73 54.62 2k2c s ARG 109 Cb -0.07 0.14 -0.04 0.00 0.00 0.00 0.00 34.95 34.98 2k2c s ARG 109 CO 0.12 -0.07 2.05 0.42 0.00 0.00 0.00 175.30 177.83 2k2c s ILE 110 N -0.61 3.24 -0.30 4.11 -1.09 -1.26 -3.83 121.20 121.46 2k2c s ILE 110 Ca -0.07 0.19 -0.16 0.00 -2.23 0.00 0.00 60.65 58.38 2k2c s ILE 110 Cb -0.04 -3.47 0.17 0.00 -1.58 0.00 0.00 42.46 37.53 2k2c s ILE 110 CO 0.01 -0.41 1.02 -0.83 -1.23 0.00 0.00 174.94 173.50 2k2c s GLY 111 N 8.84 -0.09 -0.26 6.18 0.00 -1.26 -4.99 107.32 115.74 2k2c s GLY 111 Ca 0.84 3.14 -0.29 0.00 0.00 0.00 0.00 44.72 48.41 2k2c s GLY 111 CO 0.27 3.12 1.70 2.56 0.00 0.00 0.00 173.10 180.75 2k2c s PRO 112 N 2.17 3.61 0.59 2.90 0.04 -1.24 -3.60 135.00 139.47 2k2c s PRO 112 Ca -0.04 1.58 0.28 0.00 0.04 0.00 0.00 61.00 62.87 2k2c s PRO 112 Cb -0.05 -4.11 1.58 0.00 0.04 0.00 0.00 34.50 31.96 2k2c s PRO 112 CO -0.17 -1.52 2.02 1.57 0.04 0.00 0.00 177.00 178.94 2k2c h LYS 113 N 11.61 0.00 -0.15 4.56 2.10 -1.74 0.34 116.57 133.28 2k2c h LYS 113 Ca -0.34 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.18 2k2c h LYS 113 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2k2c h LYS 113 CO 1.01 0.00 -0.40 1.05 -2.00 0.00 0.00 179.45 179.11 2k2c h GLU 114 N 0.00 0.54 -0.90 0.07 9.09 -1.89 -3.36 114.58 118.13 2k2c h GLU 114 Ca 0.14 -0.38 -0.60 0.00 0.05 0.00 0.00 59.36 58.57 2k2c h GLU 114 Cb 0.76 0.06 -0.38 0.00 -1.65 0.00 0.00 28.75 27.54 2k2c h GLU 114 CO -0.00 1.00 -0.20 -0.25 0.05 0.00 0.00 179.01 179.60 2k2c n ASP 115 N -4.28 5.92 -3.70 3.06 8.00 0.94 -4.94 116.55 121.55 2k2c n ASP 115 Ca -0.07 -3.76 -0.14 0.00 0.71 0.00 0.00 54.79 51.53 2k2c n ASP 115 Cb 0.54 -0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 2k2c n ASP 115 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2k2c s PHE 116 N -3.69 -0.44 0.03 1.24 5.36 0.26 -1.46 117.98 119.28 2k2c s PHE 116 Ca 0.56 0.96 -0.01 0.00 -0.96 0.00 0.00 56.93 57.48 2k2c s PHE 116 Cb 0.44 0.18 -0.02 0.00 -0.34 0.00 0.00 43.02 43.29 2k2c s PHE 116 CO 0.00 -0.33 -0.02 -0.59 -1.46 0.00 0.00 175.22 172.82 2k2c s PHE 117 N -0.37 0.30 -0.10 10.12 -0.71 -0.26 -4.75 117.98 122.21 2k2c s PHE 117 Ca -0.05 -0.61 -0.13 0.00 -1.04 0.00 0.00 56.93 55.10 2k2c s PHE 117 Cb -0.03 -0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 41.51 2k2c s PHE 117 CO 0.03 -0.24 0.30 -1.58 -1.34 0.00 0.00 175.22 172.39 2k2c s HIS 118 N -1.97 3.58 -0.50 3.49 5.65 -1.26 -1.11 115.29 123.16 2k2c s HIS 118 Ca -0.11 0.72 -0.28 0.00 0.25 0.00 0.00 55.06 55.64 2k2c s HIS 118 Cb -0.06 -2.24 0.03 0.00 -1.18 0.00 0.00 32.58 29.12 2k2c s HIS 118 CO -0.03 0.48 1.10 0.00 -0.65 0.00 0.00 174.74 175.64 2k2c h LEU 120 N 11.27 0.00 -0.89 0.00 4.07 -1.90 -2.72 115.31 125.14 2k2c h LEU 120 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2k2c h LEU 120 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2k2c h LEU 120 CO 1.12 0.10 -0.27 0.29 -1.08 0.00 0.00 178.44 178.60 2k2c n LYS 121 N -3.16 1.76 -2.72 1.13 5.02 -1.26 -4.75 118.16 114.18 2k2c n LYS 121 Ca 0.02 -0.78 -0.08 0.00 -2.02 0.00 0.00 58.31 55.45 2k2c n LYS 121 Cb 0.47 -1.21 0.09 0.00 -0.02 0.00 0.00 35.03 34.36 2k2c n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k2c n ASN 123 N 0.32 0.00 -4.66 0.00 3.02 -1.03 -4.73 115.26 108.19 2k2c n ASN 123 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 2k2c n ASN 123 Cb 0.71 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.90 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2k2c n LEU 124 N 0.00 3.59 -4.53 3.41 7.94 -1.26 -3.80 117.00 122.35 2k2c n LEU 124 Ca 0.00 1.04 -0.39 0.00 -1.11 0.00 0.00 56.01 55.55 2k2c n LEU 124 Cb 0.00 -1.44 -0.11 0.00 0.53 0.00 0.00 43.42 42.40 2k2c n LEU 124 CO 0.00 -1.08 -0.16 0.00 -1.11 0.00 0.00 177.39 175.04 2k2c n LEU 126 N 5.07 0.00 -4.94 0.00 4.32 -0.27 -4.93 117.00 116.25 2k2c n LEU 126 Ca -0.13 -1.70 -0.25 0.00 -0.02 0.00 0.00 56.01 53.91 2k2c n LEU 126 Cb 0.50 0.24 0.01 0.00 -1.62 0.00 0.00 43.42 42.56 2k2c n LEU 126 CO 0.35 -0.24 0.33 0.00 -1.22 0.00 0.00 177.39 176.61 2k2c s ALA 127 N -2.49 3.60 0.34 -1.18 0.00 -1.26 -1.10 121.76 119.67 2k2c s ALA 127 Ca 0.02 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2k2c s ALA 127 Cb 0.00 -2.30 0.60 0.00 0.00 0.00 0.00 23.12 21.42 2k2c s ALA 127 CO 0.01 -0.37 1.99 1.98 0.00 0.00 0.00 175.76 179.37 2k2c h MET 128 N 0.34 0.84 0.00 0.00 4.05 -1.60 -1.51 114.93 117.06 2k2c h MET 128 Ca -0.47 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 58.88 2k2c h MET 128 Cb 1.24 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.85 2k2c h MET 128 CO 0.60 0.58 -0.03 -0.91 0.23 0.00 0.00 176.91 177.38 2k2c h ASN 129 N 0.86 0.00 -0.27 1.39 4.21 -1.95 -3.22 115.58 116.60 2k2c h ASN 129 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 2k2c h ASN 129 Cb -0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 2k2c h ASN 129 CO -0.04 0.03 0.00 -0.11 -1.29 0.00 0.00 177.43 176.01 2k2c n LEU 130 N -3.13 2.72 -0.04 1.61 7.94 -0.63 -4.64 117.00 120.83 2k2c n LEU 130 Ca 0.01 -1.70 -0.08 0.00 -1.11 0.00 0.00 56.01 53.12 2k2c n LEU 130 Cb 0.35 -0.18 -0.03 0.00 0.53 0.00 0.00 43.42 44.10 2k2c n LEU 130 CO 0.29 0.64 0.81 1.56 -1.11 0.00 0.00 177.39 179.59 2k2c h GLN 131 N 2.27 -0.03 -0.00 1.96 4.20 -1.39 -2.13 115.11 119.99 2k2c h GLN 131 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k2c h GLN 131 Cb 0.68 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2k2c h GLN 131 CO 0.00 -0.02 -0.01 0.41 -0.67 0.00 0.00 178.83 178.54 2k2c n GLY 132 N -1.22 -1.21 0.13 3.46 0.00 -1.26 -3.33 105.19 101.75 2k2c n GLY 132 Ca -0.02 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.91 2k2c n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2c n ARG 133 N -1.21 1.20 -1.77 1.61 3.00 -1.03 -5.03 116.66 113.43 2k2c n ARG 133 Ca 0.16 -2.17 -0.20 0.00 -0.01 0.00 0.00 57.85 55.63 2k2c n ARG 133 Cb 0.22 -1.27 -0.06 0.00 0.00 0.00 0.00 32.46 31.35 2k2c n ARG 133 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2k2c s HIS 134 N -2.17 1.41 -1.00 -1.55 -3.43 -0.83 -4.89 115.29 102.83 2k2c s HIS 134 Ca 0.23 1.42 -0.22 0.00 -0.80 0.00 0.00 55.06 55.69 2k2c s HIS 134 Cb 0.20 -3.69 0.07 0.00 -1.43 0.00 0.00 32.58 27.73 2k2c s HIS 134 CO 0.02 -1.68 1.38 0.21 -2.00 0.00 0.00 174.74 172.67 2k2c s LYS 135 N 8.10 3.60 -0.76 -0.38 2.20 -1.26 -4.95 119.74 126.29 2k2c s LYS 135 Ca 0.83 -1.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 2k2c s LYS 135 Cb -0.11 -5.26 0.20 0.00 -1.51 0.00 0.00 37.83 31.15 2k2c s LYS 135 CO 0.05 -2.11 0.67 0.00 -0.36 0.00 0.00 175.35 173.60