#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n PHE 12 N 0.00 0.10 0.00 5.58 -0.00 -1.26 -4.90 117.46 116.98 2wro n PHE 12 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 2wro n PHE 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2wro n PHE 12 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 2wro n ARG 13 N -0.02 0.00 0.00 3.97 1.85 -1.26 -4.71 116.66 116.49 2wro n ARG 13 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 2wro n ARG 13 Cb 0.27 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.68 2wro n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wro n VAL 14 N 0.00 0.00 -2.84 8.89 0.31 -1.26 -4.78 118.33 118.66 2wro n VAL 14 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2wro n VAL 14 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2wro n VAL 14 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2wro n ARG 15 N 0.00 -0.97 0.30 5.55 1.85 -1.26 -4.67 116.66 117.46 2wro n ARG 15 Ca 0.00 0.03 0.18 0.00 -1.00 0.00 0.00 57.85 57.06 2wro n ARG 15 Cb 0.00 -1.00 0.91 0.00 -1.05 0.00 0.00 32.46 31.33 2wro n ARG 15 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 2wro h ASN 16 N 0.17 0.00 -0.02 2.89 7.08 -1.87 -3.17 115.58 120.65 2wro h ASN 16 Ca -0.17 0.00 0.01 0.00 -3.08 0.00 0.00 56.30 53.06 2wro h ASN 16 Cb 0.36 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.60 2wro h ASN 16 CO 0.20 0.03 0.99 0.08 -2.08 0.00 0.00 177.43 176.65 2wro h ARG 17 N 0.00 0.00 0.00 4.14 0.11 -1.94 1.44 114.38 118.13 2wro h ARG 17 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wro h ARG 17 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2wro h ARG 17 CO 0.00 0.00 0.00 -0.89 0.10 0.00 0.00 179.97 179.18 2wro n ILE 18 N -2.52 0.69 0.72 0.08 5.41 -1.20 -1.29 119.36 121.24 2wro n ILE 18 Ca 0.00 0.17 0.06 0.00 1.00 0.00 0.00 62.75 63.99 2wro n ILE 18 Cb 1.00 -0.95 0.17 0.00 -0.71 0.00 0.00 39.64 39.16 2wro n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wro n LYS 19 N -1.31 1.96 -2.97 0.38 4.81 0.49 -4.92 118.16 116.61 2wro n LYS 19 Ca 0.06 -1.42 -0.41 0.00 -0.87 0.00 0.00 58.31 55.67 2wro n LYS 19 Cb 0.11 -1.33 -0.05 0.00 0.02 0.00 0.00 35.03 33.78 2wro n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wro s ARG 20 N -1.50 4.31 -0.30 1.64 1.81 -0.41 -5.01 118.95 119.49 2wro s ARG 20 Ca 0.26 0.91 -0.02 0.00 -1.72 0.00 0.00 55.73 55.16 2wro s ARG 20 Cb 0.14 -3.55 0.19 0.00 -0.45 0.00 0.00 34.95 31.28 2wro s ARG 20 CO 0.17 -0.22 0.67 0.99 -0.68 0.00 0.00 175.30 176.24 2wro s THR 21 N 1.78 -0.89 0.00 0.02 2.01 -1.26 -4.87 115.64 112.43 2wro s THR 21 Ca 0.36 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.36 2wro s THR 21 Cb -0.17 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2wro s THR 21 CO 0.13 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2wro n GLY 22 N 5.43 -0.06 1.11 4.40 0.00 -1.26 -5.12 105.19 109.69 2wro n GLY 22 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2wro n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro n ARG 23 N 0.00 -1.94 -2.25 1.61 1.74 -1.26 -4.76 116.66 109.81 2wro n ARG 23 Ca 0.00 1.56 0.00 0.00 -0.77 0.00 0.00 57.85 58.64 2wro n ARG 23 Cb 0.00 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 2wro n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wro n LEU 24 N -3.36 -4.70 -4.27 0.55 7.99 -1.26 -4.25 117.00 107.70 2wro n LEU 24 Ca -0.04 2.34 -0.28 0.00 -0.01 0.00 0.00 56.01 58.03 2wro n LEU 24 Cb 0.34 -2.75 -0.15 0.00 -0.11 0.00 0.00 43.42 40.75 2wro n LEU 24 CO 0.02 -2.49 -0.54 0.00 -1.51 0.00 0.00 177.39 172.86 2wro s ARG 25 N -0.42 1.65 -0.87 3.23 1.70 -1.05 -1.77 118.95 121.42 2wro s ARG 25 Ca 0.00 -0.93 -0.14 0.00 -0.47 0.00 0.00 55.73 54.19 2wro s ARG 25 Cb 0.00 -1.72 0.22 0.00 -0.57 0.00 0.00 34.95 32.88 2wro s ARG 25 CO 0.00 0.45 0.83 -1.17 -1.08 0.00 0.00 175.30 174.34 2wro s LEU 26 N -0.95 6.57 1.21 -1.89 0.20 -1.24 -1.85 118.68 120.73 2wro s LEU 26 Ca 0.09 -2.72 -0.20 0.00 0.69 0.00 0.00 54.13 51.99 2wro s LEU 26 Cb -0.09 -2.23 0.29 0.00 -0.43 0.00 0.00 46.19 43.73 2wro s LEU 26 CO 0.01 -0.59 1.12 -0.44 -0.29 0.00 0.00 176.35 176.16 2wro s SER 27 N 2.21 0.88 0.00 3.68 0.01 -1.11 -0.91 113.70 118.46 2wro s SER 27 Ca 0.21 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2wro s SER 27 Cb -0.09 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2wro s SER 27 CO -0.09 -4.14 0.00 0.52 0.41 0.00 0.00 173.24 169.94 2wro n VAL 28 N -4.76 0.00 0.00 3.43 0.31 -1.26 -3.22 118.33 112.83 2wro n VAL 28 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2wro n VAL 28 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 2wro n VAL 28 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2wro n PHE 29 N 0.00 0.00 -3.80 3.52 -0.00 -1.26 -4.73 117.46 111.19 2wro n PHE 29 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.11 2wro n PHE 29 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.37 2wro n PHE 29 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2wro s ARG 30 N 0.00 2.36 0.61 -4.13 6.06 -1.26 -1.89 118.95 120.70 2wro s ARG 30 Ca 0.00 -2.58 -0.07 0.00 -2.50 0.00 0.00 55.73 50.58 2wro s ARG 30 Cb 0.00 -3.58 0.01 0.00 0.06 0.00 0.00 34.95 31.44 2wro s ARG 30 CO 0.00 -1.15 0.94 0.45 -2.50 0.00 0.00 175.30 173.04 2wro s SER 31 N 0.30 5.53 0.32 -2.12 0.15 -0.83 -4.94 113.70 112.11 2wro s SER 31 Ca 0.17 0.77 0.08 0.00 0.70 0.00 0.00 55.95 57.67 2wro s SER 31 Cb -0.22 -1.71 0.81 0.00 -1.71 0.00 0.00 66.02 63.19 2wro s SER 31 CO -0.02 -1.14 1.77 -0.07 1.20 0.00 0.00 173.24 174.99 2wro h LEU 32 N -0.28 0.72 0.00 3.45 3.38 -2.05 -3.39 115.31 117.15 2wro h LEU 32 Ca -0.45 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2wro h LEU 32 Cb 1.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2wro h LEU 32 CO 0.61 0.23 0.00 0.29 0.09 0.00 0.00 178.44 179.66 2wro n LYS 33 N -4.75 0.00 -1.41 1.13 5.02 -1.26 -5.06 118.16 111.83 2wro n LYS 33 Ca 0.24 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.19 2wro n LYS 33 Cb 0.63 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.74 2wro n LYS 33 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2wro s HIS 34 N 0.80 2.04 -0.57 2.13 3.76 -1.26 -4.98 115.29 117.21 2wro s HIS 34 Ca 0.00 1.60 0.05 0.00 -0.15 0.00 0.00 55.06 56.56 2wro s HIS 34 Cb 0.00 -3.47 0.17 0.00 1.11 0.00 0.00 32.58 30.39 2wro s HIS 34 CO 0.00 -2.63 0.43 1.51 -0.85 0.00 0.00 174.74 173.21 2wro n ILE 35 N -2.76 0.32 -0.03 0.60 3.06 -1.26 -1.96 119.36 117.32 2wro n ILE 35 Ca 0.13 -4.21 -0.02 0.00 -2.50 0.00 0.00 62.75 56.15 2wro n ILE 35 Cb 0.50 -1.94 0.02 0.00 0.54 0.00 0.00 39.64 38.76 2wro n ILE 35 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2wro n TYR 36 N 2.31 -1.66 0.00 9.51 4.02 -0.79 -4.39 117.16 126.16 2wro n TYR 36 Ca 0.25 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2wro n TYR 36 Cb 0.41 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 2wro n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wro n ALA 37 N -2.52 0.00 -1.93 -0.72 0.00 -1.02 -4.24 120.51 110.08 2wro n ALA 37 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 2wro n ALA 37 Cb 0.04 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.66 2wro n ALA 37 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wro s GLN 38 N 0.00 0.91 -0.06 0.00 -0.21 -1.20 -3.99 119.66 115.11 2wro s GLN 38 Ca 0.00 -0.42 -0.07 0.00 0.02 0.00 0.00 55.36 54.89 2wro s GLN 38 Cb 0.00 -1.91 0.02 0.00 1.00 0.00 0.00 33.01 32.12 2wro s GLN 38 CO 0.00 -2.21 0.19 0.42 -2.12 0.00 0.00 175.29 171.57 2wro s ILE 39 N -3.78 0.01 0.38 1.08 1.01 -1.26 -2.75 121.20 115.90 2wro s ILE 39 Ca 0.72 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 61.18 2wro s ILE 39 Cb -0.05 -0.31 0.03 0.00 0.01 0.00 0.00 42.46 42.14 2wro s ILE 39 CO 0.52 -0.06 0.63 0.27 0.00 0.00 0.00 174.94 176.29 2wro s ILE 40 N -0.16 0.00 -0.05 2.92 -4.36 -0.77 -4.13 121.20 114.65 2wro s ILE 40 Ca -0.03 -1.33 -0.03 0.00 -0.26 0.00 0.00 60.65 59.01 2wro s ILE 40 Cb -0.02 -2.83 0.03 0.00 1.25 0.00 0.00 42.46 40.89 2wro s ILE 40 CO 0.01 0.00 0.12 -0.62 0.24 0.00 0.00 174.94 174.69 2wro s ASP 41 N -3.19 -0.08 0.72 4.36 2.15 -1.23 -2.55 116.67 116.85 2wro s ASP 41 Ca 0.24 0.25 -0.03 0.00 0.43 0.00 0.00 52.55 53.44 2wro s ASP 41 Cb -0.03 0.15 0.06 0.00 -0.30 0.00 0.00 42.92 42.81 2wro s ASP 41 CO 0.18 -0.13 0.39 0.47 -0.17 0.00 0.00 175.17 175.91 2wro n ASP 42 N 4.01 0.28 0.00 -0.34 9.92 -1.26 0.80 116.55 129.97 2wro n ASP 42 Ca -0.24 -1.29 0.00 0.00 -0.53 0.00 0.00 54.79 52.72 2wro n ASP 42 Cb 0.53 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2wro n ASP 42 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2wro n GLU 43 N -1.78 0.00 -0.10 -1.24 2.13 -1.26 -3.33 120.64 115.06 2wro n GLU 43 Ca 0.06 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.70 2wro n GLU 43 Cb 0.20 -0.15 -0.13 0.00 0.27 0.00 0.00 31.44 31.64 2wro n GLU 43 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2wro n LYS 44 N 0.00 0.67 -3.61 5.31 4.76 -1.26 -5.02 118.16 119.01 2wro n LYS 44 Ca 0.00 0.15 -0.24 0.00 -2.87 0.00 0.00 58.31 55.36 2wro n LYS 44 Cb 0.00 -1.55 0.08 0.00 -1.84 0.00 0.00 35.03 31.71 2wro n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wro n GLY 45 N 2.15 -0.52 0.00 0.72 0.00 0.24 -5.01 105.19 102.77 2wro n GLY 45 Ca -0.42 0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2wro n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wro n VAL 46 N -4.88 0.00 -3.40 1.61 0.31 -0.94 -4.96 118.33 106.08 2wro n VAL 46 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.12 2wro n VAL 46 Cb 0.57 -0.35 -0.10 0.00 -0.91 0.00 0.00 33.84 33.06 2wro n VAL 46 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2wro s THR 47 N 1.50 -0.36 -0.89 2.52 2.01 -1.26 -3.57 115.64 115.59 2wro s THR 47 Ca 0.00 -0.62 0.18 0.00 0.31 0.00 0.00 61.69 61.56 2wro s THR 47 Cb 0.00 -0.94 0.16 0.00 0.01 0.00 0.00 72.50 71.73 2wro s THR 47 CO 0.00 -0.52 1.57 0.18 -0.69 0.00 0.00 174.62 175.16 2wro n LEU 48 N 5.09 0.15 0.00 4.42 4.32 -1.26 -4.89 117.00 124.84 2wro n LEU 48 Ca 0.00 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 2wro n LEU 48 Cb 0.46 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 2wro n LEU 48 CO 0.02 -0.28 0.00 0.52 -1.22 0.00 0.00 177.39 176.43 2wro n VAL 49 N -1.67 0.00 0.00 4.08 0.31 -1.26 -5.00 118.33 114.80 2wro n VAL 49 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2wro n VAL 49 Cb 0.21 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 2wro n VAL 49 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wro n SER 50 N 0.00 0.00 -3.15 4.52 3.41 -1.26 -4.81 113.62 112.33 2wro n SER 50 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2wro n SER 50 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wro n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wro s ALA 51 N -2.00 -3.61 0.42 7.33 0.00 -1.26 -4.92 121.76 117.72 2wro s ALA 51 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2wro s ALA 51 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2wro s ALA 51 CO 0.00 -1.98 0.00 0.43 0.00 0.00 0.00 175.76 174.21 2wro n SER 52 N 5.21 0.00 0.00 0.00 7.64 -1.26 -2.43 113.62 122.78 2wro n SER 52 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2wro n SER 52 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2wro n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wro n SER 53 N 0.00 0.00 0.14 6.43 2.88 -1.26 -4.71 113.62 117.09 2wro n SER 53 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2wro n SER 53 Cb 0.00 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.87 2wro n SER 53 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2wro h LEU 54 N 0.00 0.18 0.00 2.46 7.12 -1.82 0.16 115.31 123.41 2wro h LEU 54 Ca 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.97 2wro h LEU 54 Cb 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 2wro h LEU 54 CO 0.00 0.35 0.00 0.00 -0.13 0.00 0.00 178.44 178.66 2wro n ALA 55 N -2.49 1.81 -1.20 1.25 0.00 -1.26 0.14 120.51 118.76 2wro n ALA 55 Ca -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.49 2wro n ALA 55 Cb 0.27 -1.07 0.14 0.00 0.00 0.00 0.00 19.45 18.80 2wro n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wro n LEU 56 N -0.73 2.31 0.00 0.00 0.00 0.54 -4.90 117.00 114.22 2wro n LEU 56 Ca 0.03 -3.13 0.00 0.00 0.00 0.00 0.00 56.01 52.91 2wro n LEU 56 Cb 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 43.42 43.01 2wro n LEU 56 CO 0.02 0.80 0.00 1.17 0.00 0.00 0.00 177.39 179.38 2wro n LYS 57 N -1.32 -1.48 -1.04 1.96 0.00 0.36 -4.85 118.16 111.79 2wro n LYS 57 Ca 0.16 0.28 -0.29 0.00 0.00 0.00 0.00 58.31 58.46 2wro n LYS 57 Cb 0.65 -4.17 0.19 0.00 0.00 0.00 0.00 35.03 31.71 2wro n LYS 57 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2wro s LEU 58 N 0.00 1.41 0.85 3.14 2.96 -1.11 -4.97 118.68 120.96 2wro s LEU 58 Ca 0.00 1.24 -0.16 0.00 -0.22 0.00 0.00 54.13 55.00 2wro s LEU 58 Cb 0.00 -3.36 -0.13 0.00 0.50 0.00 0.00 46.19 43.20 2wro s LEU 58 CO 0.00 -3.38 -0.77 1.17 -1.32 0.00 0.00 176.35 172.05 2wro n LYS 59 N -4.34 0.00 -3.12 1.98 4.81 -1.26 -4.56 118.16 111.66 2wro n LYS 59 Ca 0.05 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.19 2wro n LYS 59 Cb 0.57 -0.85 -0.05 0.00 0.02 0.00 0.00 35.03 34.72 2wro n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wro n GLY 60 N 2.96 5.29 3.42 3.14 0.00 -1.26 -4.62 105.19 114.13 2wro n GLY 60 Ca -0.02 -2.76 -0.22 0.00 0.00 0.00 0.00 46.02 43.02 2wro n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wro s ASN 61 N -2.73 2.20 -0.05 1.61 3.84 -1.26 -5.10 114.94 113.44 2wro s ASN 61 Ca 0.43 -1.61 0.08 0.00 0.21 0.00 0.00 52.86 51.96 2wro s ASN 61 Cb 0.20 0.41 -0.12 0.00 -0.55 0.00 0.00 41.25 41.19 2wro s ASN 61 CO -0.06 -0.90 0.10 0.29 -2.79 0.00 0.00 177.10 173.74 2wro n LYS 62 N -0.75 1.59 0.00 0.43 5.02 -1.26 -4.76 118.16 118.44 2wro n LYS 62 Ca -0.02 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2wro n LYS 62 Cb 0.65 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 2wro n LYS 62 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wro n THR 63 N -2.07 0.00 -0.32 -0.18 -2.24 -1.26 -4.58 114.28 103.63 2wro n THR 63 Ca -0.08 0.10 0.28 0.00 -2.27 0.00 0.00 64.05 62.08 2wro n THR 63 Cb 0.52 -1.09 0.48 0.00 -2.10 0.00 0.00 70.33 68.14 2wro n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wro n GLU 64 N -1.69 -0.03 -0.38 -0.78 4.71 -1.26 -0.66 120.64 120.55 2wro n GLU 64 Ca 0.00 0.94 -0.05 0.00 -0.01 0.00 0.00 57.16 58.04 2wro n GLU 64 Cb 0.00 -1.82 -0.02 0.00 -1.01 0.00 0.00 31.44 28.59 2wro n GLU 64 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wro n VAL 65 N -4.26 -0.57 -0.14 2.62 0.31 -1.26 -0.76 118.33 114.27 2wro n VAL 65 Ca 0.29 2.28 -0.11 0.00 -0.01 0.00 0.00 64.34 66.80 2wro n VAL 65 Cb 1.11 -2.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.06 2wro n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wro h ALA 66 N 0.94 -0.51 -0.13 3.52 0.00 -1.15 -1.45 119.26 120.48 2wro h ALA 66 Ca 0.25 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2wro h ALA 66 Cb 0.49 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2wro h ALA 66 CO -0.93 -0.91 -0.07 0.54 0.00 0.00 0.00 179.25 177.88 2wro n ARG 67 N -5.41 -0.06 -0.00 0.00 1.74 0.06 -0.89 116.66 112.11 2wro n ARG 67 Ca -0.01 1.02 -0.01 0.00 -0.77 0.00 0.00 57.85 58.08 2wro n ARG 67 Cb 0.35 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2wro n ARG 67 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2wro h GLN 68 N 0.00 -0.02 0.00 5.56 4.20 -1.11 0.41 115.11 124.15 2wro h GLN 68 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2wro h GLN 68 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2wro h GLN 68 CO -0.12 -0.01 0.43 -0.24 -0.67 0.00 0.00 178.83 178.22 2wro h VAL 69 N -0.02 0.00 0.00 -0.54 3.04 -1.12 0.24 116.25 117.85 2wro h VAL 69 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2wro h VAL 69 Cb 0.02 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 29.55 2wro h VAL 69 CO -0.02 0.00 -0.07 1.23 -1.01 0.00 0.00 177.57 177.70 2wro h GLY 70 N 0.00 0.00 -0.82 3.17 0.00 0.11 -2.99 103.07 102.54 2wro h GLY 70 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 2wro h GLY 70 CO 0.00 0.00 -0.48 3.21 0.00 0.00 0.00 176.54 179.27 2wro h ARG 71 N -0.18 -0.08 -0.81 4.80 3.08 0.14 0.97 114.38 122.29 2wro h ARG 71 Ca 0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2wro h ARG 71 Cb 0.07 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 2wro h ARG 71 CO 0.00 -0.06 0.53 0.00 -1.07 0.00 0.00 179.97 179.38 2wro h ALA 72 N 0.79 1.59 -1.37 0.04 0.00 -0.83 -1.76 119.26 117.72 2wro h ALA 72 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wro h ALA 72 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wro h ALA 72 CO -0.86 0.30 0.00 -0.11 0.00 0.00 0.00 179.25 178.57 2wro n LEU 73 N -4.48 0.00 -0.32 0.00 0.00 0.33 -2.34 117.00 110.19 2wro n LEU 73 Ca 0.12 0.77 0.20 0.00 0.00 0.00 0.00 56.01 57.10 2wro n LEU 73 Cb 0.19 -0.27 0.41 0.00 0.00 0.00 0.00 43.42 43.75 2wro n LEU 73 CO 0.34 -0.27 1.04 0.00 0.00 0.00 0.00 177.39 178.49 2wro h ALA 74 N -1.90 1.70 -1.30 1.96 0.00 -1.39 1.81 119.26 120.15 2wro h ALA 74 Ca 0.00 0.21 0.38 0.00 0.00 0.00 0.00 54.91 55.50 2wro h ALA 74 Cb 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2wro h ALA 74 CO 0.00 -0.56 1.25 1.49 0.00 0.00 0.00 179.25 181.43 2wro h GLU 75 N 0.25 0.00 0.00 0.00 4.81 -0.91 0.50 114.58 119.23 2wro h GLU 75 Ca 0.67 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.90 2wro h GLU 75 Cb 1.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2wro h GLU 75 CO -0.65 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.26 2wro n LYS 76 N -3.48 0.00 -0.21 1.92 5.02 0.62 -3.85 118.16 118.17 2wro n LYS 76 Ca 0.29 0.42 0.11 0.00 -2.02 0.00 0.00 58.31 57.10 2wro n LYS 76 Cb 1.64 -1.05 0.21 0.00 -0.02 0.00 0.00 35.03 35.81 2wro n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wro n ALA 77 N -1.75 0.36 0.14 7.82 0.00 0.16 0.16 120.51 127.41 2wro n ALA 77 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2wro n ALA 77 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2wro n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wro n LEU 78 N -4.72 0.83 -0.71 0.00 4.77 -0.18 0.22 117.00 117.22 2wro n LEU 78 Ca 0.16 -0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 55.71 2wro n LEU 78 Cb 0.52 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2wro n LEU 78 CO -0.04 0.15 0.28 0.00 -1.33 0.00 0.00 177.39 176.45 2wro n ALA 79 N 1.14 2.63 0.00 -1.18 0.00 0.43 -4.90 120.51 118.64 2wro n ALA 79 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2wro n ALA 79 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2wro n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wro n LEU 80 N 0.01 0.00 0.00 0.00 4.77 0.59 -5.03 117.00 117.34 2wro n LEU 80 Ca -0.10 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 2wro n LEU 80 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2wro n LEU 80 CO -0.05 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2wro n GLY 81 N 0.52 0.58 2.97 -0.72 0.00 -1.21 -5.04 105.19 102.28 2wro n GLY 81 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 2wro n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wro s ILE 82 N -2.00 1.50 -0.10 -0.61 -1.09 -1.26 -5.06 121.20 112.59 2wro s ILE 82 Ca 0.00 -0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 57.43 2wro s ILE 82 Cb 0.00 -1.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.25 2wro s ILE 82 CO 0.00 0.15 -0.16 1.17 -1.23 0.00 0.00 174.94 174.88 2wro n LYS 83 N 4.74 0.30 -3.72 2.79 4.81 -1.26 -4.56 118.16 121.26 2wro n LYS 83 Ca -0.14 0.28 -0.22 0.00 -0.87 0.00 0.00 58.31 57.37 2wro n LYS 83 Cb 0.47 -1.20 -0.01 0.00 0.02 0.00 0.00 35.03 34.30 2wro n LYS 83 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wro s GLN 84 N -1.95 3.39 0.00 1.64 -2.07 -1.26 -0.27 119.66 119.15 2wro s GLN 84 Ca -0.13 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.73 2wro s GLN 84 Cb 0.02 -2.81 0.00 0.00 -1.09 0.00 0.00 33.01 29.13 2wro s GLN 84 CO 0.19 0.28 0.00 1.33 -1.32 0.00 0.00 175.29 175.78 2wro n VAL 85 N -1.56 0.00 -2.89 3.63 0.24 -1.25 -4.82 118.33 111.68 2wro n VAL 85 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2wro n VAL 85 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 2wro n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wro n ALA 86 N -3.00 0.00 -2.43 2.33 0.00 -0.73 -4.50 120.51 112.19 2wro n ALA 86 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2wro n ALA 86 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2wro n ALA 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2wro s PHE 87 N -2.03 1.74 0.00 0.00 5.36 -1.26 -3.65 117.98 118.14 2wro s PHE 87 Ca 0.00 -1.27 0.00 0.00 -0.96 0.00 0.00 56.93 54.70 2wro s PHE 87 Cb 0.00 -1.05 0.00 0.00 -0.34 0.00 0.00 43.02 41.63 2wro s PHE 87 CO 0.00 -0.34 0.00 -3.47 -1.46 0.00 0.00 175.22 169.95 2wro n ASP 88 N -1.04 2.23 -1.31 6.13 4.64 -0.09 -4.32 116.55 122.78 2wro n ASP 88 Ca -0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.39 2wro n ASP 88 Cb 0.65 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.73 2wro n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wro n ARG 89 N 0.00 0.00 0.00 -0.67 3.00 -1.26 -4.81 116.66 112.92 2wro n ARG 89 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 2wro n ARG 89 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 32.46 31.59 2wro n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wro n GLY 90 N 0.12 -3.38 0.62 5.14 0.00 -1.26 -1.77 105.19 104.67 2wro n GLY 90 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2wro n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wro n PRO 91 N -0.83 0.59 -0.09 1.61 -0.04 -1.26 -4.53 135.00 130.44 2wro n PRO 91 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2wro n PRO 91 Cb 0.00 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 2wro n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wro n TYR 92 N 0.33 -0.10 -2.92 0.54 4.11 -0.73 -4.93 117.16 113.46 2wro n TYR 92 Ca 0.00 0.28 -0.10 0.00 -0.00 0.00 0.00 57.90 58.08 2wro n TYR 92 Cb 0.18 -0.50 0.01 0.00 -0.00 0.00 0.00 39.34 39.04 2wro n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wro n LYS 93 N -3.47 -2.49 -0.82 -3.48 3.00 -1.26 -4.84 118.16 104.79 2wro n LYS 93 Ca 0.00 2.13 -0.27 0.00 -0.00 0.00 0.00 58.31 60.17 2wro n LYS 93 Cb 0.06 -4.95 0.02 0.00 0.00 0.00 0.00 35.03 30.16 2wro n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wro n TYR 94 N 0.01 -2.92 0.00 5.64 9.36 -1.26 -4.89 117.16 123.09 2wro n TYR 94 Ca 0.06 0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.44 2wro n TYR 94 Cb 0.39 -1.14 0.00 0.00 -0.63 0.00 0.00 39.34 37.96 2wro n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2wro n HIS 95 N -1.44 0.00 0.00 2.98 -0.00 -1.26 -5.02 115.22 110.47 2wro n HIS 95 Ca 0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 2wro n HIS 95 Cb 0.37 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.24 2wro n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wro n GLY 96 N 0.36 1.58 1.28 1.57 0.00 -1.26 -4.24 105.19 104.47 2wro n GLY 96 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2wro n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wro n ARG 97 N 0.00 0.17 -0.50 1.61 -4.01 -1.26 -4.31 116.66 108.36 2wro n ARG 97 Ca 0.00 0.00 0.43 0.00 -1.04 0.00 0.00 57.85 57.24 2wro n ARG 97 Cb 0.00 -1.42 0.76 0.00 -3.04 0.00 0.00 32.46 28.77 2wro n ARG 97 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2wro h VAL 98 N 1.13 0.21 0.00 8.89 2.07 -1.94 -3.43 116.25 123.19 2wro h VAL 98 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2wro h VAL 98 Cb 0.17 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2wro h VAL 98 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 2wro n LYS 99 N -4.15 0.00 0.00 1.57 4.76 -1.26 -4.59 118.16 114.49 2wro n LYS 99 Ca 0.35 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 2wro n LYS 99 Cb 1.58 -4.11 0.00 0.00 -1.84 0.00 0.00 35.03 30.66 2wro n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wro n ALA 100 N 0.99 0.00 -2.74 7.82 0.00 -1.26 -4.25 120.51 121.06 2wro n ALA 100 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2wro n ALA 100 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2wro n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wro s LEU 101 N 0.00 3.76 1.06 0.00 0.05 -1.26 -4.77 118.68 117.53 2wro s LEU 101 Ca 0.00 0.20 -0.17 0.00 0.05 0.00 0.00 54.13 54.22 2wro s LEU 101 Cb 0.00 -1.88 0.23 0.00 -2.05 0.00 0.00 46.19 42.48 2wro s LEU 101 CO 0.00 0.36 1.18 0.00 -0.55 0.00 0.00 176.35 177.34 2wro s ALA 102 N -0.79 1.32 0.00 1.48 0.00 -1.26 -4.69 121.76 117.82 2wro s ALA 102 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2wro s ALA 102 Cb -0.12 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2wro s ALA 102 CO 0.03 -2.96 0.00 -0.85 0.00 0.00 0.00 175.76 171.97 2wro n GLU 103 N -4.25 0.00 -2.69 0.00 0.00 -1.26 -4.83 120.64 107.61 2wro n GLU 103 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.26 2wro n GLU 103 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.01 2wro n GLU 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wro n GLY 104 N 0.00 -4.53 0.39 -1.84 0.00 -1.26 -4.65 105.19 93.30 2wro n GLY 104 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.03 2wro n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wro n ALA 105 N 1.18 0.96 0.08 4.61 0.00 0.63 -3.51 120.51 124.47 2wro n ALA 105 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2wro n ALA 105 Cb 0.29 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 2wro n ALA 105 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wro h ARG 106 N 0.67 -0.41 -1.81 0.00 1.12 -1.79 -3.32 114.38 108.85 2wro h ARG 106 Ca 0.00 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2wro h ARG 106 Cb 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 2wro h ARG 106 CO 0.00 -0.27 0.00 -1.91 -3.11 0.00 0.00 179.97 174.68 2wro n GLU 107 N -5.37 0.00 0.00 0.20 4.07 -1.23 -4.57 120.64 113.74 2wro n GLU 107 Ca -0.06 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 2wro n GLU 107 Cb 0.28 -0.65 0.00 0.00 -0.06 0.00 0.00 31.44 31.01 2wro n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wro n GLY 108 N -0.05 -0.83 0.00 8.31 0.00 -1.26 -5.05 105.19 106.32 2wro n GLY 108 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2wro n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93