#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n VAL 3 N 0.00 0.00 -0.32 5.15 0.31 -1.26 -4.68 118.33 117.53 2wro n VAL 3 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2wro n VAL 3 Cb 0.00 -0.41 0.19 0.00 -0.91 0.00 0.00 33.84 32.72 2wro n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2wro h LYS 4 N 0.00 0.86 -2.81 5.55 2.10 -2.06 -3.45 116.57 116.76 2wro h LYS 4 Ca 0.00 -0.05 -0.25 0.00 -2.00 0.00 0.00 60.65 58.34 2wro h LYS 4 Cb 0.34 -0.19 0.11 0.00 -0.90 0.00 0.00 32.23 31.59 2wro h LYS 4 CO 0.00 0.57 -0.93 -1.33 -2.00 0.00 0.00 179.45 175.75 2wro n MET 5 N -4.69 0.00 0.00 0.07 2.81 -1.26 -5.00 117.12 109.05 2wro n MET 5 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2wro n MET 5 Cb 0.30 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.34 2wro n MET 5 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2wro n HIS 6 N -1.24 0.00 0.00 2.03 1.44 -1.26 -5.16 115.22 111.03 2wro n HIS 6 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2wro n HIS 6 Cb 0.28 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.39 2wro n HIS 6 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2wro n VAL 7 N -0.69 0.00 -0.12 0.61 0.31 -1.26 -5.15 118.33 112.03 2wro n VAL 7 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2wro n VAL 7 Cb 0.00 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 2wro n VAL 7 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wro n LYS 8 N 0.00 -2.47 0.00 5.55 4.01 -1.26 -5.07 118.16 118.92 2wro n LYS 8 Ca 0.00 -0.51 0.00 0.00 -0.51 0.00 0.00 58.31 57.29 2wro n LYS 8 Cb 0.00 -0.71 0.00 0.00 -0.51 0.00 0.00 35.03 33.81 2wro n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2wro n LYS 9 N -2.90 0.00 -1.31 1.97 2.85 -1.26 -5.03 118.16 112.49 2wro n LYS 9 Ca 0.05 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.89 2wro n LYS 9 Cb 0.21 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.55 2wro n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wro n GLY 10 N 0.00 3.21 3.51 2.58 0.00 -1.26 -3.88 105.19 109.36 2wro n GLY 10 Ca 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 2wro n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wro s ASP 11 N 4.29 -0.34 0.61 1.61 1.47 -1.26 -4.81 116.67 118.24 2wro s ASP 11 Ca 0.53 -0.00 -0.18 0.00 1.18 0.00 0.00 52.55 54.09 2wro s ASP 11 Cb 0.14 0.36 -0.06 0.00 -0.34 0.00 0.00 42.92 43.02 2wro s ASP 11 CO 0.04 -0.58 0.73 0.41 0.68 0.00 0.00 175.17 176.45 2wro n THR 12 N -0.23 2.88 0.00 2.11 -1.04 -1.26 -4.06 114.28 112.68 2wro n THR 12 Ca -0.08 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 2wro n THR 12 Cb 0.61 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 2wro n THR 12 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2wro n VAL 13 N -1.87 0.00 0.00 12.58 3.14 -1.17 -4.66 118.33 126.35 2wro n VAL 13 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 2wro n VAL 13 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 2wro n VAL 13 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wro n LEU 14 N 0.00 0.00 -4.47 6.55 7.94 -1.02 -4.68 117.00 121.32 2wro n LEU 14 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 2wro n LEU 14 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 2wro n LEU 14 CO 0.00 0.00 -0.49 -0.69 -1.11 0.00 0.00 177.39 175.10 2wro s VAL 15 N -2.00 2.64 0.00 1.96 1.01 -0.15 -0.89 120.40 122.97 2wro s VAL 15 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.07 2wro s VAL 15 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2wro s VAL 15 CO 0.00 -0.12 0.22 0.00 0.00 0.00 0.00 175.10 175.20 2wro n ALA 16 N 0.18 0.58 -1.00 5.51 0.00 -1.18 -3.02 120.51 121.58 2wro n ALA 16 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2wro n ALA 16 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2wro n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wro n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.22 -4.47 113.62 111.34 2wro n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wro n SER 17 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2wro n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wro n GLY 18 N 0.00 0.21 0.00 5.00 0.00 -1.26 -4.57 105.19 104.57 2wro n GLY 18 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2wro n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wro n LYS 19 N -1.44 0.45 -2.74 1.61 5.02 -1.26 -3.58 118.16 116.23 2wro n LYS 19 Ca 0.00 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2wro n LYS 19 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.52 2wro n LYS 19 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wro n TYR 20 N -1.27 1.39 -0.20 2.13 4.02 -1.26 -4.90 117.16 117.06 2wro n TYR 20 Ca 0.15 -3.06 -0.12 0.00 -0.01 0.00 0.00 57.90 54.86 2wro n TYR 20 Cb 0.24 -0.35 0.07 0.00 -0.02 0.00 0.00 39.34 39.27 2wro n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2wro n LYS 21 N -0.06 1.59 0.00 -0.72 4.81 -1.23 -3.08 118.16 119.47 2wro n LYS 21 Ca 0.17 -1.34 0.00 0.00 -0.87 0.00 0.00 58.31 56.27 2wro n LYS 21 Cb 0.75 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.28 2wro n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wro n GLY 22 N -0.05 -1.82 3.18 3.14 0.00 -1.17 -4.66 105.19 103.82 2wro n GLY 22 Ca 0.26 0.84 -0.13 0.00 0.00 0.00 0.00 46.02 46.99 2wro n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wro s ARG 23 N 0.00 0.35 -0.36 1.61 1.81 -1.25 -5.00 118.95 116.10 2wro s ARG 23 Ca 0.00 0.41 -0.03 0.00 -1.72 0.00 0.00 55.73 54.39 2wro s ARG 23 Cb 0.00 0.17 0.08 0.00 -0.45 0.00 0.00 34.95 34.75 2wro s ARG 23 CO 0.00 -0.04 0.12 0.08 -0.68 0.00 0.00 175.30 174.78 2wro s VAL 24 N 0.16 3.24 0.38 3.52 1.01 -1.26 -0.98 120.40 126.46 2wro s VAL 24 Ca -0.00 -1.70 0.06 0.00 0.00 0.00 0.00 61.98 60.34 2wro s VAL 24 Cb -0.02 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 2wro s VAL 24 CO 0.00 -0.42 0.53 -0.83 0.00 0.00 0.00 175.10 174.38 2wro s GLY 25 N 1.56 1.68 0.00 4.51 0.00 -1.26 -4.96 107.32 108.85 2wro s GLY 25 Ca 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2wro s GLY 25 CO -0.02 -1.33 0.00 1.17 0.00 0.00 0.00 173.10 172.92 2wro n LYS 26 N -1.77 2.04 -1.11 2.90 4.81 -1.26 -3.06 118.16 120.72 2wro n LYS 26 Ca 0.02 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.09 2wro n LYS 26 Cb 0.58 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.67 2wro n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wro n VAL 27 N -0.10 0.15 0.47 3.15 0.31 -1.26 -4.11 118.33 116.95 2wro n VAL 27 Ca 0.00 -0.48 0.05 0.00 -0.01 0.00 0.00 64.34 63.90 2wro n VAL 27 Cb 0.00 -0.09 -0.01 0.00 -0.91 0.00 0.00 33.84 32.83 2wro n VAL 27 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wro n LYS 28 N 1.69 2.23 -3.87 5.55 5.02 -1.25 -4.02 118.16 123.50 2wro n LYS 28 Ca 0.03 -0.55 -0.34 0.00 -2.02 0.00 0.00 58.31 55.43 2wro n LYS 28 Cb 0.52 -1.09 0.01 0.00 -0.02 0.00 0.00 35.03 34.45 2wro n LYS 28 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wro n GLU 29 N -0.36 -0.95 -1.58 1.97 4.71 -1.26 -2.51 120.64 120.67 2wro n GLU 29 Ca 0.04 0.47 -0.38 0.00 -0.01 0.00 0.00 57.16 57.29 2wro n GLU 29 Cb 0.22 -2.71 0.05 0.00 -1.01 0.00 0.00 31.44 27.99 2wro n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wro n VAL 30 N -3.77 3.48 0.00 2.62 0.31 -1.26 -4.68 118.33 115.03 2wro n VAL 30 Ca -0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 2wro n VAL 30 Cb 0.62 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 2wro n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wro n LEU 31 N -0.64 0.05 -0.94 7.52 7.99 -1.26 -4.99 117.00 124.73 2wro n LEU 31 Ca 0.14 0.44 0.08 0.00 -0.01 0.00 0.00 56.01 56.65 2wro n LEU 31 Cb 0.48 -0.49 0.25 0.00 -0.11 0.00 0.00 43.42 43.54 2wro n LEU 31 CO 0.49 -0.49 0.71 -0.81 -1.51 0.00 0.00 177.39 175.77 2wro n PRO 32 N -2.03 3.10 0.00 3.23 -0.04 -1.26 -4.97 135.00 133.04 2wro n PRO 32 Ca 0.00 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 2wro n PRO 32 Cb 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2wro n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wro n LYS 33 N 0.02 0.00 0.00 0.54 5.02 -1.26 -0.78 118.16 121.70 2wro n LYS 33 Ca 0.19 0.66 0.03 0.00 -2.02 0.00 0.00 58.31 57.17 2wro n LYS 33 Cb 0.77 -1.40 0.15 0.00 -0.02 0.00 0.00 35.03 34.53 2wro n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wro n LYS 34 N -2.17 0.12 -2.92 1.97 5.02 -1.26 -4.83 118.16 114.10 2wro n LYS 34 Ca 0.00 0.13 -0.04 0.00 -2.02 0.00 0.00 58.31 56.38 2wro n LYS 34 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 2wro n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2wro n TYR 35 N -1.16 -2.45 -2.88 2.13 9.36 0.04 -5.05 117.16 117.14 2wro n TYR 35 Ca 0.03 0.91 0.00 0.00 3.32 0.00 0.00 57.90 62.16 2wro n TYR 35 Cb 0.03 -3.83 0.00 0.00 -0.63 0.00 0.00 39.34 34.91 2wro n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wro n ALA 36 N -2.12 0.00 -2.00 2.98 0.00 -1.25 -4.17 120.51 113.94 2wro n ALA 36 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wro n ALA 36 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wro n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wro n VAL 37 N 0.00 0.00 0.00 0.00 0.24 -1.05 -4.20 118.33 113.32 2wro n VAL 37 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wro n VAL 37 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wro n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wro n ILE 38 N 0.00 0.00 0.00 1.34 0.13 -1.04 -4.45 119.36 115.34 2wro n ILE 38 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2wro n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 2wro n ILE 38 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 2wro n VAL 39 N 0.00 0.00 -0.36 9.51 0.31 -1.26 -4.47 118.33 122.07 2wro n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wro n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wro n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wro n GLU 40 N 10.78 0.00 0.00 5.55 -0.58 -1.26 -4.64 120.64 130.49 2wro n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wro n GLU 40 Cb 0.00 -0.02 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 2wro n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wro n GLY 41 N 0.00 1.84 1.65 0.62 0.00 -1.26 -5.02 105.19 103.03 2wro n GLY 41 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2wro n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wro n VAL 42 N 0.00 -2.95 -3.58 1.61 0.31 -1.26 -4.29 118.33 108.17 2wro n VAL 42 Ca 0.00 0.90 -0.05 0.00 -0.01 0.00 0.00 64.34 65.18 2wro n VAL 42 Cb 0.00 -1.54 -0.02 0.00 -0.91 0.00 0.00 33.84 31.38 2wro n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wro s ASN 43 N -0.64 -0.18 0.01 4.52 2.20 -1.26 -2.07 114.94 117.53 2wro s ASN 43 Ca 0.00 -0.02 -0.04 0.00 -0.94 0.00 0.00 52.86 51.86 2wro s ASN 43 Cb 0.00 0.20 -0.01 0.00 -2.00 0.00 0.00 41.25 39.44 2wro s ASN 43 CO 0.00 -0.33 0.07 -0.63 -2.94 0.00 0.00 177.10 173.27 2wro s ILE 44 N -2.58 0.10 -0.43 0.54 1.09 -1.25 -4.99 121.20 113.67 2wro s ILE 44 Ca 0.09 -0.80 -0.23 0.00 -1.10 0.00 0.00 60.65 58.61 2wro s ILE 44 Cb -0.01 -0.39 0.02 0.00 -1.06 0.00 0.00 42.46 41.02 2wro s ILE 44 CO -0.05 -0.44 0.78 -0.69 -0.10 0.00 0.00 174.94 174.44 2wro s VAL 45 N -1.48 4.67 0.00 2.92 1.01 -1.26 -4.45 120.40 121.80 2wro s VAL 45 Ca -0.15 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2wro s VAL 45 Cb -0.08 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2wro s VAL 45 CO 0.00 -0.65 0.00 0.29 0.00 0.00 0.00 175.10 174.74 2wro n LYS 46 N 6.65 0.86 -3.23 2.72 5.02 -1.26 -5.04 118.16 123.88 2wro n LYS 46 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.29 2wro n LYS 46 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.46 2wro n LYS 46 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wro s LYS 47 N -0.14 0.52 0.05 1.97 1.02 -1.26 -4.97 119.74 116.93 2wro s LYS 47 Ca 0.00 0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.22 2wro s LYS 47 Cb 0.00 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 2wro s LYS 47 CO 0.00 -1.06 -0.01 0.00 -0.92 0.00 0.00 175.35 173.35 2wro s ALA 48 N 2.57 0.40 0.00 5.17 0.00 -1.26 -5.02 121.76 123.62 2wro s ALA 48 Ca 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2wro s ALA 48 Cb -0.11 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2wro s ALA 48 CO -0.25 -0.35 0.93 0.28 0.00 0.00 0.00 175.76 176.37 2wro n VAL 49 N 0.32 0.86 -0.70 0.00 0.31 -1.26 -4.31 118.33 113.55 2wro n VAL 49 Ca -0.16 -0.87 0.00 0.00 -0.01 0.00 0.00 64.34 63.30 2wro n VAL 49 Cb 0.60 0.57 0.00 0.00 -0.91 0.00 0.00 33.84 34.11 2wro n VAL 49 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wro n ARG 50 N -0.43 0.00 0.00 5.55 0.00 -1.26 -4.54 116.66 115.98 2wro n ARG 50 Ca 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 57.85 58.21 2wro n ARG 50 Cb 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.39 2wro n ARG 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2wro n VAL 51 N 0.85 0.00 -3.40 5.15 0.31 -1.26 -3.98 118.33 116.01 2wro n VAL 51 Ca 0.00 0.72 -0.27 0.00 -0.01 0.00 0.00 64.34 64.78 2wro n VAL 51 Cb 0.00 -1.27 -0.08 0.00 -0.91 0.00 0.00 33.84 31.58 2wro n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wro n SER 52 N -0.41 3.32 -0.24 4.52 3.41 -1.26 -5.05 113.62 117.91 2wro n SER 52 Ca 0.00 -3.35 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 2wro n SER 52 Cb 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2wro n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wro n PRO 53 N 0.93 0.00 -2.56 4.33 -0.02 -1.26 -4.90 135.00 131.51 2wro n PRO 53 Ca 0.29 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.39 2wro n PRO 53 Cb 0.42 -0.06 -0.04 0.00 -0.02 0.00 0.00 33.50 33.80 2wro n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wro s LYS 54 N 0.15 4.32 -0.30 -0.52 2.20 -1.26 -3.24 119.74 121.10 2wro s LYS 54 Ca 0.00 1.55 -0.26 0.00 -0.36 0.00 0.00 55.97 56.89 2wro s LYS 54 Cb 0.00 -2.72 0.04 0.00 -1.51 0.00 0.00 37.83 33.64 2wro s LYS 54 CO 0.00 -0.01 0.44 2.48 -0.36 0.00 0.00 175.35 177.91 2wro n TYR 55 N 0.29 -1.78 0.00 4.03 0.18 -1.26 -4.84 117.16 113.78 2wro n TYR 55 Ca 0.03 0.75 0.00 0.00 1.88 0.00 0.00 57.90 60.56 2wro n TYR 55 Cb 0.49 -1.44 0.00 0.00 -0.38 0.00 0.00 39.34 38.00 2wro n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 2wro n PRO 56 N 0.26 0.00 -0.23 -3.48 -0.02 -1.20 -4.82 135.00 125.52 2wro n PRO 56 Ca -0.06 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.34 2wro n PRO 56 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 2wro n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wro n GLN 57 N 0.00 0.00 0.00 -0.52 1.13 -1.26 -4.67 117.38 112.06 2wro n GLN 57 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2wro n GLN 57 Cb 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 30.24 30.15 2wro n GLN 57 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wro n GLY 58 N 0.60 0.09 0.00 1.08 0.00 -1.26 -4.92 105.19 100.78 2wro n GLY 58 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wro n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 59 N 3.73 0.59 2.63 -0.02 0.00 -1.26 -5.01 105.19 105.84 2wro n GLY 59 Ca 0.00 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 2wro n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wro s PHE 60 N -0.89 0.04 0.44 1.61 0.40 -1.26 -4.32 117.98 114.00 2wro s PHE 60 Ca 0.00 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2wro s PHE 60 Cb 0.00 -0.69 0.00 0.00 0.51 0.00 0.00 43.02 42.84 2wro s PHE 60 CO 0.00 -0.88 0.00 -0.89 0.70 0.00 0.00 175.22 174.15 2wro n ILE 61 N 4.93 0.00 -3.86 0.64 5.41 -1.26 -5.07 119.36 120.15 2wro n ILE 61 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2wro n ILE 61 Cb 0.43 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 2wro n ILE 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2wro n GLU 62 N -3.43 0.00 -4.11 0.38 4.71 -1.26 -4.59 120.64 112.34 2wro n GLU 62 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.88 2wro n GLU 62 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 2wro n GLU 62 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2wro s LYS 63 N 0.00 2.25 0.00 3.49 2.20 -1.26 -5.06 119.74 121.36 2wro s LYS 63 Ca 0.00 -2.01 0.00 0.00 -0.36 0.00 0.00 55.97 53.60 2wro s LYS 63 Cb 0.00 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2wro s LYS 63 CO 0.00 -0.39 0.00 0.39 -0.36 0.00 0.00 175.35 174.99 2wro n GLU 64 N -1.50 3.31 0.00 4.03 1.02 -1.26 -3.95 120.64 122.28 2wro n GLU 64 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2wro n GLU 64 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 2wro n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wro n ALA 65 N -3.00 0.00 -1.00 0.62 0.00 -0.88 -4.20 120.51 112.05 2wro n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wro n ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wro n ALA 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wro n PRO 66 N 0.00 0.78 -2.19 0.00 -0.02 -1.26 -4.66 135.00 127.64 2wro n PRO 66 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wro n PRO 66 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2wro n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wro n LEU 67 N 0.00 0.00 -4.71 2.45 0.00 -1.26 -4.79 117.00 108.69 2wro n LEU 67 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 56.01 55.59 2wro n LEU 67 Cb 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 43.42 43.60 2wro n LEU 67 CO 0.00 -0.01 0.27 -2.28 0.00 0.00 0.00 177.39 175.37 2wro s HIS 68 N -2.60 3.52 -1.18 1.96 5.04 -1.26 -2.53 115.29 118.24 2wro s HIS 68 Ca 0.04 1.01 0.04 0.00 -1.54 0.00 0.00 55.06 54.62 2wro s HIS 68 Cb -0.00 -2.66 0.20 0.00 0.04 0.00 0.00 32.58 30.16 2wro s HIS 68 CO -0.00 0.10 1.07 0.00 -2.34 0.00 0.00 174.74 173.57 2wro n ALA 69 N 3.86 1.28 0.43 1.58 0.00 -1.26 -0.75 120.51 125.65 2wro n ALA 69 Ca -0.04 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2wro n ALA 69 Cb 0.51 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 19.01 2wro n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wro h SER 70 N 0.00 0.00 -2.00 0.00 0.87 -1.93 -3.36 113.55 107.14 2wro h SER 70 Ca 0.00 -0.15 -0.74 0.00 -1.23 0.00 0.00 61.79 59.67 2wro h SER 70 Cb 0.06 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 61.72 2wro h SER 70 CO 0.00 0.07 0.70 0.29 -0.53 0.00 0.00 176.83 177.36 2wro n LYS 71 N -2.31 3.45 -3.69 2.24 5.02 0.07 -4.92 118.16 118.03 2wro n LYS 71 Ca 0.02 -3.98 -0.14 0.00 -2.02 0.00 0.00 58.31 52.19 2wro n LYS 71 Cb 0.47 -2.31 -0.09 0.00 -0.02 0.00 0.00 35.03 33.09 2wro n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wro s VAL 72 N -4.96 0.01 -0.19 -0.18 -7.23 -1.26 -3.60 120.40 102.98 2wro s VAL 72 Ca 0.49 -0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.56 2wro s VAL 72 Cb 0.37 -0.73 -0.01 0.00 0.56 0.00 0.00 36.38 36.57 2wro s VAL 72 CO -0.31 -0.04 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.25 2wro s ARG 73 N -0.11 3.41 0.00 4.82 1.81 -0.07 -4.95 118.95 123.86 2wro s ARG 73 Ca -0.03 -0.63 0.00 0.00 -1.72 0.00 0.00 55.73 53.35 2wro s ARG 73 Cb -0.03 -2.91 0.00 0.00 -0.45 0.00 0.00 34.95 31.56 2wro s ARG 73 CO 0.02 -0.05 0.00 -0.35 -0.68 0.00 0.00 175.30 174.24 2wro n PRO 74 N 4.36 2.80 0.00 3.54 -0.04 -1.15 -2.42 135.00 142.09 2wro n PRO 74 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2wro n PRO 74 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2wro n PRO 74 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2wro n ILE 75 N -0.07 0.00 0.00 0.52 0.13 -1.21 -4.16 119.36 114.57 2wro n ILE 75 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2wro n ILE 75 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 2wro n ILE 75 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2wro n PRO 77 N -1.39 -0.64 0.00 0.00 -0.02 -1.26 -4.16 135.00 127.52 2wro n PRO 77 Ca 0.00 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 2wro n PRO 77 Cb 0.00 0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 2wro n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wro n ALA 78 N -0.57 0.00 -2.37 3.55 0.00 -1.26 -4.86 120.51 115.00 2wro n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wro n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wro n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wro n GLY 80 N 1.38 -0.77 0.47 0.00 0.00 -1.26 -3.35 105.19 101.66 2wro n GLY 80 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2wro n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wro n LYS 81 N -1.05 0.00 -0.23 1.61 4.81 -1.26 -2.94 118.16 119.10 2wro n LYS 81 Ca 0.16 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.50 2wro n LYS 81 Cb 0.10 -0.20 0.10 0.00 0.02 0.00 0.00 35.03 35.05 2wro n LYS 81 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2wro n PRO 82 N 0.70 -1.47 -4.04 1.64 -0.02 -1.26 -4.25 135.00 126.30 2wro n PRO 82 Ca 0.05 -0.49 -0.31 0.00 -2.02 0.00 0.00 63.50 60.72 2wro n PRO 82 Cb -0.01 -0.85 -0.15 0.00 -0.02 0.00 0.00 33.50 32.47 2wro n PRO 82 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2wro s THR 83 N -1.40 2.24 0.00 3.45 -1.32 -1.26 -3.80 115.64 113.55 2wro s THR 83 Ca 0.23 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 2wro s THR 83 Cb -0.04 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 2wro s THR 83 CO 0.19 -0.35 0.00 -1.14 -2.21 0.00 0.00 174.62 171.11 2wro n ARG 84 N 4.33 1.39 -3.89 7.08 0.63 -1.11 -4.90 116.66 120.19 2wro n ARG 84 Ca -0.04 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.80 2wro n ARG 84 Cb 0.42 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.28 2wro n ARG 84 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2wro s VAL 85 N 0.18 0.03 0.29 5.15 1.01 -1.24 -3.21 120.40 122.61 2wro s VAL 85 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.85 2wro s VAL 85 Cb 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2wro s VAL 85 CO 0.00 -0.15 0.09 -1.14 0.00 0.00 0.00 175.10 173.90 2wro n ARG 86 N -0.31 0.74 0.00 2.72 0.63 -0.83 -4.82 116.66 114.79 2wro n ARG 86 Ca -0.07 -2.39 0.00 0.00 -0.92 0.00 0.00 57.85 54.48 2wro n ARG 86 Cb 0.62 1.23 0.00 0.00 0.45 0.00 0.00 32.46 34.76 2wro n ARG 86 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2wro n LYS 87 N -0.65 2.31 -1.56 -0.14 2.85 -1.26 -3.79 118.16 115.92 2wro n LYS 87 Ca -0.05 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.04 2wro n LYS 87 Cb 0.42 -0.85 -0.07 0.00 -0.65 0.00 0.00 35.03 33.89 2wro n LYS 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wro n LYS 88 N -1.66 -1.41 0.00 -1.58 4.01 -1.26 0.18 118.16 116.44 2wro n LYS 88 Ca 0.00 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.79 2wro n LYS 88 Cb 0.35 -5.33 0.00 0.00 -0.51 0.00 0.00 35.03 29.54 2wro n LYS 88 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2wro n PHE 89 N -2.23 0.00 -2.68 2.13 3.01 -1.26 -4.53 117.46 111.89 2wro n PHE 89 Ca -0.17 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.25 2wro n PHE 89 Cb 0.56 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.15 2wro n PHE 89 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 2wro n LEU 90 N 0.00 -1.61 0.00 4.37 -0.00 -0.86 -5.15 117.00 113.76 2wro n LEU 90 Ca 0.00 -3.21 0.00 0.00 -0.00 0.00 0.00 56.01 52.80 2wro n LEU 90 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2wro n LEU 90 CO 0.00 1.76 0.00 -0.62 -0.00 0.00 0.00 177.39 178.53 2wro n GLU 91 N -1.06 0.00 -2.15 1.47 -0.58 0.48 -5.09 120.64 113.71 2wro n GLU 91 Ca -0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.61 2wro n GLU 91 Cb 0.85 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.79 2wro n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2wro n ASN 92 N -0.46 -0.96 -4.74 1.62 5.15 -1.25 -4.25 115.26 110.38 2wro n ASN 92 Ca 0.00 -1.77 -0.32 0.00 -0.60 0.00 0.00 54.58 51.88 2wro n ASN 92 Cb 0.00 0.44 0.09 0.00 -0.53 0.00 0.00 39.78 39.78 2wro n ASN 92 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2wro s GLY 93 N -0.75 1.97 -0.02 8.20 0.00 -1.25 -4.67 107.32 110.81 2wro s GLY 93 Ca 0.05 0.56 -0.17 0.00 0.00 0.00 0.00 44.72 45.17 2wro s GLY 93 CO -0.08 0.94 0.46 -1.59 0.00 0.00 0.00 173.10 172.83 2wro s LYS 94 N -4.39 4.11 -0.08 2.90 -2.85 -1.26 -1.96 119.74 116.20 2wro s LYS 94 Ca 0.67 0.49 -0.03 0.00 -1.00 0.00 0.00 55.97 56.10 2wro s LYS 94 Cb -0.22 -3.29 0.05 0.00 -2.06 0.00 0.00 37.83 32.31 2wro s LYS 94 CO 0.50 0.52 0.17 0.21 0.10 0.00 0.00 175.35 176.85 2wro s LYS 95 N -0.58 0.09 0.75 1.78 2.20 -1.20 -3.91 119.74 118.87 2wro s LYS 95 Ca 0.25 0.50 -0.15 0.00 -0.36 0.00 0.00 55.97 56.22 2wro s LYS 95 Cb -0.17 -0.20 0.05 0.00 -1.51 0.00 0.00 37.83 36.01 2wro s LYS 95 CO 0.14 -0.23 1.22 0.96 -0.36 0.00 0.00 175.35 177.07 2wro s ILE 96 N 1.75 2.18 0.10 5.43 -4.36 -0.09 -2.77 121.20 123.45 2wro s ILE 96 Ca -0.03 0.09 -0.31 0.00 -0.26 0.00 0.00 60.65 60.14 2wro s ILE 96 Cb -0.12 -2.65 -0.10 0.00 1.25 0.00 0.00 42.46 40.84 2wro s ILE 96 CO -0.06 -0.05 1.88 -2.11 0.24 0.00 0.00 174.94 174.83 2wro n ARG 97 N -2.84 2.82 -3.62 0.37 1.85 -1.25 -2.60 116.66 111.39 2wro n ARG 97 Ca 0.14 1.03 -0.27 0.00 -1.00 0.00 0.00 57.85 57.74 2wro n ARG 97 Cb 0.50 -2.94 0.04 0.00 -1.05 0.00 0.00 32.46 29.01 2wro n ARG 97 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wro n VAL 98 N 4.92 -6.10 -3.65 8.89 0.31 -1.26 -4.90 118.33 116.54 2wro n VAL 98 Ca 0.19 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2wro n VAL 98 Cb 0.38 -4.50 0.00 0.00 -0.91 0.00 0.00 33.84 28.81 2wro n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wro s ALA 100 N -1.00 0.94 0.00 0.00 0.00 -1.26 -4.26 121.76 116.18 2wro s ALA 100 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2wro s ALA 100 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2wro s ALA 100 CO 0.00 -0.04 0.00 1.17 0.00 0.00 0.00 175.76 176.89 2wro n LYS 101 N 0.82 0.00 0.00 0.00 4.81 -1.25 -4.32 118.16 118.22 2wro n LYS 101 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2wro n LYS 101 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 2wro n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57