#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2feb n GLU 2 N 0.00 0.99 -4.79 6.28 0.28 -1.22 -4.82 120.64 117.36 2feb n GLU 2 Ca 0.00 -2.08 -0.26 0.00 -0.16 0.00 0.00 57.16 54.67 2feb n GLU 2 Cb 0.00 0.21 -0.16 0.00 1.43 0.00 0.00 31.44 32.92 2feb n GLU 2 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2feb s GLY 3 N -3.17 0.89 0.28 -1.84 0.00 -1.26 -4.77 107.32 97.44 2feb s GLY 3 Ca 0.19 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.18 2feb s GLY 3 CO 0.12 -0.30 0.52 0.54 0.00 0.00 0.00 173.10 173.98 2feb n ARG 4 N 3.21 0.74 -3.70 2.90 5.12 -1.26 -5.02 116.66 118.66 2feb n ARG 4 Ca -0.18 -1.69 -0.14 0.00 -1.93 0.00 0.00 57.85 53.91 2feb n ARG 4 Cb 0.53 1.97 -0.09 0.00 -1.16 0.00 0.00 32.46 33.72 2feb n ARG 4 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2feb s HIS 5 N -4.00 -0.45 0.01 -1.55 3.76 -1.26 -4.79 115.29 107.01 2feb s HIS 5 Ca 0.14 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 2feb s HIS 5 Cb -0.03 0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.85 2feb s HIS 5 CO 0.10 -0.34 0.00 -0.12 -0.85 0.00 0.00 174.74 173.53 2feb n MET 6 N 2.10 0.00 -4.34 1.40 1.56 -1.26 -5.07 117.12 111.51 2feb n MET 6 Ca -0.16 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.08 2feb n MET 6 Cb 0.57 0.00 -0.14 0.00 2.15 0.00 0.00 33.22 35.80 2feb n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2feb s ALA 7 N -1.11 0.84 0.00 -5.12 0.00 -1.26 -5.12 121.76 109.99 2feb s ALA 7 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2feb s ALA 7 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2feb s ALA 7 CO 0.00 0.17 0.00 -0.35 0.00 0.00 0.00 175.76 175.58 2feb n PRO 8 N 2.48 0.00 -1.27 0.00 -0.04 -1.26 -4.50 135.00 130.41 2feb n PRO 8 Ca -0.16 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.45 2feb n PRO 8 Cb 0.56 -0.20 -0.06 0.00 -0.04 0.00 0.00 33.50 33.76 2feb n PRO 8 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2feb n THR 9 N 0.00 -0.21 -3.76 0.52 -1.04 -1.26 -4.09 114.28 104.44 2feb n THR 9 Ca 0.00 0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 62.37 2feb n THR 9 Cb 0.00 -0.89 -0.09 0.00 -1.82 0.00 0.00 70.33 67.53 2feb n THR 9 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2feb s GLU 10 N -3.58 0.65 2.60 -2.82 8.01 -1.26 -4.23 118.70 118.07 2feb s GLU 10 Ca 0.00 -0.13 0.00 0.00 0.01 0.00 0.00 54.97 54.85 2feb s GLU 10 Cb 0.00 0.29 0.00 0.00 -4.31 0.00 0.00 34.13 30.11 2feb s GLU 10 CO 0.00 -0.17 0.00 -1.71 0.01 0.00 0.00 175.26 173.39 2feb n ASN 11 N 1.41 -3.91 -4.28 -0.19 2.85 -1.26 -4.47 115.26 105.41 2feb n ASN 11 Ca -0.21 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 53.95 2feb n ASN 11 Cb 0.56 0.00 0.20 0.00 1.24 0.00 0.00 39.78 41.78 2feb n ASN 11 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2feb n SER 12 N -2.86 -2.31 -2.55 1.20 2.88 -1.26 -2.74 113.62 105.98 2feb n SER 12 Ca 0.00 -0.18 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 2feb n SER 12 Cb 0.00 -1.02 -0.00 0.00 -0.75 0.00 0.00 64.21 62.44 2feb n SER 12 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2feb n THR 13 N -4.64 -0.28 0.00 2.46 5.66 -1.26 -4.61 114.28 111.62 2feb n THR 13 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2feb n THR 13 Cb 0.60 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 2feb n THR 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2feb n GLY 14 N -0.66 1.48 4.10 1.09 0.00 -1.11 -4.89 105.19 105.20 2feb n GLY 14 Ca -0.06 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2feb n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2feb n VAL 15 N 0.00 0.00 0.00 1.61 0.24 -1.12 -4.87 118.33 114.19 2feb n VAL 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2feb n VAL 15 Cb 0.00 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 2feb n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2feb n GLN 16 N -0.69 0.00 -1.37 7.34 10.64 -1.26 -4.73 117.38 127.30 2feb n GLN 16 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 2feb n GLN 16 Cb 0.05 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.45 2feb n GLN 16 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2feb n ASP 17 N -0.91 -2.15 -4.84 2.61 8.00 -1.26 -4.65 116.55 113.35 2feb n ASP 17 Ca 0.00 0.71 -0.32 0.00 0.71 0.00 0.00 54.79 55.89 2feb n ASP 17 Cb 0.00 -1.03 -0.06 0.00 -0.02 0.00 0.00 41.12 40.01 2feb n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2feb s TYR 19 N -1.36 2.30 -0.18 0.00 -0.85 0.76 -3.38 117.35 114.64 2feb s TYR 19 Ca 0.29 -0.59 -0.02 0.00 -0.52 0.00 0.00 57.07 56.23 2feb s TYR 19 Cb -0.12 -2.15 0.05 0.00 0.38 0.00 0.00 41.96 40.12 2feb s TYR 19 CO 0.21 -0.39 0.01 1.03 -1.52 0.00 0.00 175.55 174.89 2feb s ARG 20 N -4.27 0.83 3.69 -3.49 0.52 -1.26 -4.15 118.95 110.82 2feb s ARG 20 Ca 0.48 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 2feb s ARG 20 Cb -0.04 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.40 2feb s ARG 20 CO 0.29 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.44 2feb n GLY 21 N 5.00 0.35 3.46 -3.53 0.00 -1.26 -4.22 105.19 105.00 2feb n GLY 21 Ca -0.09 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 2feb n GLY 21 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2feb s ASP 22 N -4.00 7.02 -0.72 1.61 -4.77 -1.26 -4.91 116.67 109.65 2feb s ASP 22 Ca 0.00 -2.89 -0.14 0.00 -3.30 0.00 0.00 52.55 46.22 2feb s ASP 22 Cb 0.00 -2.40 -0.11 0.00 -1.09 0.00 0.00 42.92 39.32 2feb s ASP 22 CO 0.00 -0.78 1.90 0.61 0.70 0.00 0.00 175.17 177.60 2feb n GLY 23 N 4.27 2.60 0.75 2.12 0.00 -1.14 -3.28 105.19 110.51 2feb n GLY 23 Ca 0.35 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 2feb n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2feb n GLN 24 N 5.68 0.00 -2.47 1.61 -0.00 -1.26 -3.70 117.38 117.25 2feb n GLN 24 Ca 0.43 -0.56 -0.38 0.00 -0.00 0.00 0.00 57.00 56.49 2feb n GLN 24 Cb 0.25 0.42 0.02 0.00 -0.00 0.00 0.00 30.24 30.93 2feb n GLN 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2feb n SER 25 N 0.00 6.87 -1.41 2.61 3.41 -1.21 -4.64 113.62 119.25 2feb n SER 25 Ca -0.16 -3.73 0.18 0.00 -0.26 0.00 0.00 58.87 54.90 2feb n SER 25 Cb 0.52 -1.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.38 2feb n SER 25 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2feb n TYR 26 N -0.25 -3.66 -4.88 7.33 4.02 -1.26 -4.97 117.16 113.49 2feb n TYR 26 Ca 0.46 1.91 0.00 0.00 -0.01 0.00 0.00 57.90 60.26 2feb n TYR 26 Cb 0.30 -3.33 0.00 0.00 -0.02 0.00 0.00 39.34 36.29 2feb n TYR 26 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2feb n ARG 27 N -4.26 0.00 0.00 -0.72 5.12 -1.26 -5.06 116.66 110.48 2feb n ARG 27 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2feb n ARG 27 Cb 0.66 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.96 2feb n ARG 27 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2feb n GLY 28 N 0.00 4.01 0.00 -0.13 0.00 -1.26 -4.85 105.19 102.97 2feb n GLY 28 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2feb n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2feb n THR 29 N -0.01 0.00 -1.36 2.61 -2.24 -1.26 -4.78 114.28 107.25 2feb n THR 29 Ca 0.00 0.43 -0.54 0.00 -2.27 0.00 0.00 64.05 61.67 2feb n THR 29 Cb 0.00 -1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 66.84 2feb n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2feb n LEU 30 N -1.80 1.32 -1.55 3.22 -0.00 -1.26 -4.79 117.00 112.14 2feb n LEU 30 Ca 0.00 0.50 0.07 0.00 -0.00 0.00 0.00 56.01 56.57 2feb n LEU 30 Cb 0.00 -1.07 0.33 0.00 -0.00 0.00 0.00 43.42 42.68 2feb n LEU 30 CO 0.00 -0.77 0.77 -0.24 -0.00 0.00 0.00 177.39 177.15 2feb n SER 31 N 8.94 4.61 -2.39 1.45 2.88 -1.26 -3.83 113.62 124.02 2feb n SER 31 Ca 0.50 -2.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.45 2feb n SER 31 Cb 0.09 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2feb n SER 31 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2feb n THR 32 N 0.73 0.00 0.00 2.46 -1.04 -1.26 -0.33 114.28 114.84 2feb n THR 32 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2feb n THR 32 Cb 0.92 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 2feb n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2feb n THR 33 N -1.29 0.00 0.00 12.58 -2.24 -1.13 -4.07 114.28 118.13 2feb n THR 33 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2feb n THR 33 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2feb n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2feb n ILE 34 N -1.33 0.00 -1.99 2.28 0.13 -1.21 0.17 119.36 117.42 2feb n ILE 34 Ca 0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.59 2feb n ILE 34 Cb 0.00 -0.35 -0.06 0.00 -0.84 0.00 0.00 39.64 38.39 2feb n ILE 34 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2feb n THR 35 N -2.42 0.00 0.00 9.51 -1.04 -1.26 -4.78 114.28 114.29 2feb n THR 35 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2feb n THR 35 Cb 0.00 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2feb n THR 35 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2feb n GLY 36 N 0.00 2.33 0.00 3.41 0.00 -1.26 -5.05 105.19 104.62 2feb n GLY 36 Ca -0.23 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2feb n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2feb n ARG 37 N 0.00 3.74 0.00 1.61 3.00 -1.26 -4.93 116.66 118.82 2feb n ARG 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2feb n ARG 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2feb n ARG 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2feb n THR 38 N 0.00 0.00 -1.23 0.55 -2.24 -1.26 -2.83 114.28 107.27 2feb n THR 38 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2feb n THR 38 Cb 0.00 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.43 2feb n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2feb n GLN 40 N -1.05 -4.12 -3.42 0.00 -0.06 -1.24 -2.67 117.38 104.83 2feb n GLN 40 Ca 0.22 3.09 -0.32 0.00 -2.00 0.00 0.00 57.00 58.00 2feb n GLN 40 Cb 0.82 -3.54 -0.05 0.00 -4.06 0.00 0.00 30.24 23.40 2feb n GLN 40 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2feb s SER 41 N -3.64 6.61 -1.53 1.69 1.04 -1.26 -4.44 113.70 112.18 2feb s SER 41 Ca 0.00 0.90 -0.09 0.00 0.48 0.00 0.00 55.95 57.25 2feb s SER 41 Cb 0.00 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 2feb s SER 41 CO 0.00 -0.07 2.77 0.79 0.98 0.00 0.00 173.24 177.70 2feb n TRP 42 N -0.16 2.50 0.00 5.02 7.02 -0.10 -3.02 117.44 128.70 2feb n TRP 42 Ca 0.00 -3.01 0.00 0.00 -1.02 0.00 0.00 57.50 53.47 2feb n TRP 42 Cb 0.52 -2.29 0.00 0.00 -2.42 0.00 0.00 31.31 27.12 2feb n TRP 42 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2feb n SER 43 N 3.05 0.00 -4.57 -0.99 2.88 -1.26 -4.38 113.62 108.34 2feb n SER 43 Ca 0.73 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.87 2feb n SER 43 Cb 0.24 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.68 2feb n SER 43 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2feb s SER 44 N 0.00 6.50 -0.56 -3.46 0.01 -1.17 -4.93 113.70 110.09 2feb s SER 44 Ca 0.00 -1.97 -0.22 0.00 1.31 0.00 0.00 55.95 55.08 2feb s SER 44 Cb 0.00 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.71 2feb s SER 44 CO 0.00 -1.51 0.82 -0.04 0.41 0.00 0.00 173.24 172.92 2feb s MET 45 N 4.79 3.19 0.21 12.44 -1.94 -1.26 -4.68 119.30 132.05 2feb s MET 45 Ca 0.53 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 2feb s MET 45 Cb 0.02 -4.12 0.00 0.00 2.01 0.00 0.00 34.83 32.74 2feb s MET 45 CO 0.02 -1.46 0.00 0.25 -0.01 0.00 0.00 175.02 173.82 2feb n THR 46 N 5.89 0.00 0.08 2.05 -2.24 -1.26 -4.96 114.28 113.84 2feb n THR 46 Ca -0.03 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 2feb n THR 46 Cb 0.46 -0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.50 2feb n THR 46 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2feb h PRO 47 N 0.00 0.39 -2.99 -0.78 0.13 -1.98 -3.48 132.00 123.30 2feb h PRO 47 Ca 0.00 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2feb h PRO 47 Cb 0.00 0.15 -0.11 0.00 0.13 0.00 0.00 31.00 31.17 2feb h PRO 47 CO 0.00 1.15 0.22 -3.38 -0.23 0.00 0.00 178.00 175.76 2feb s HIS 48 N -3.12 -0.46 -1.08 1.56 -3.43 -1.26 -4.61 115.29 102.88 2feb s HIS 48 Ca -0.06 0.20 -0.20 0.00 -0.80 0.00 0.00 55.06 54.21 2feb s HIS 48 Cb 0.08 0.59 0.09 0.00 -1.43 0.00 0.00 32.58 31.91 2feb s HIS 48 CO 0.87 -0.93 1.43 -1.58 -2.00 0.00 0.00 174.74 172.54 2feb s TRP 49 N -3.78 2.84 0.13 0.38 0.52 -1.26 -4.70 118.94 113.06 2feb s TRP 49 Ca 0.03 -1.29 -0.30 0.00 0.02 0.00 0.00 56.10 54.56 2feb s TRP 49 Cb -0.02 -4.57 -0.08 0.00 -1.15 0.00 0.00 33.47 27.65 2feb s TRP 49 CO -0.09 -1.74 1.57 1.12 0.02 0.00 0.00 176.95 177.83 2feb h HIS 50 N 8.79 -1.31 -2.13 -1.98 2.07 -1.88 -3.47 115.15 115.24 2feb h HIS 50 Ca 0.26 0.05 0.28 0.00 -2.85 0.00 0.00 60.37 58.11 2feb h HIS 50 Cb 0.97 0.59 -0.07 0.00 2.57 0.00 0.00 27.41 31.47 2feb h HIS 50 CO 1.26 -0.50 0.78 -0.98 -3.07 0.00 0.00 177.93 175.42 2feb s ARG 51 N -5.85 0.70 0.00 5.12 1.70 -1.26 -4.98 118.95 114.38 2feb s ARG 51 Ca -0.16 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 2feb s ARG 51 Cb 0.09 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2feb s ARG 51 CO 0.63 -0.33 0.00 0.54 -1.08 0.00 0.00 175.30 175.07 2feb n ARG 52 N -0.75 0.00 0.00 3.89 3.00 -1.26 -4.85 116.66 116.69 2feb n ARG 52 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 2feb n ARG 52 Cb 0.60 -0.38 0.00 0.00 0.00 0.00 0.00 32.46 32.68 2feb n ARG 52 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2feb n ILE 53 N 0.00 0.00 -0.14 0.55 -5.35 -1.26 -4.89 119.36 108.27 2feb n ILE 53 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 2feb n ILE 53 Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2feb n ILE 53 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2feb n PRO 54 N -1.20 0.00 0.00 6.28 -0.04 -1.26 -2.28 135.00 136.49 2feb n PRO 54 Ca 0.00 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 2feb n PRO 54 Cb 0.00 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2feb n PRO 54 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2feb n LEU 55 N 4.46 0.00 0.14 1.53 -0.00 -1.26 -4.78 117.00 117.08 2feb n LEU 55 Ca 0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.80 2feb n LEU 55 Cb 0.01 0.01 -0.15 0.00 -0.00 0.00 0.00 43.42 43.28 2feb n LEU 55 CO 0.39 -0.03 -0.18 0.10 -0.00 0.00 0.00 177.39 177.67 2feb h TYR 56 N 0.00 0.85 -2.82 1.47 -0.00 -1.87 -3.46 116.97 111.14 2feb h TYR 56 Ca 0.00 -0.62 -0.59 0.00 -0.00 0.00 0.00 58.73 57.52 2feb h TYR 56 Cb 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 36.73 36.63 2feb h TYR 56 CO 0.00 1.48 -0.55 1.52 -0.00 0.00 0.00 178.16 180.61 2feb s TYR 57 N -2.62 3.25 -0.28 0.10 1.13 -1.26 -5.03 117.35 112.63 2feb s TYR 57 Ca -0.08 0.05 -0.31 0.00 -1.41 0.00 0.00 57.07 55.32 2feb s TYR 57 Cb 0.05 -1.59 -0.08 0.00 -1.10 0.00 0.00 41.96 39.24 2feb s TYR 57 CO 0.93 0.53 2.22 -0.35 -2.51 0.00 0.00 175.55 176.36 2feb n PRO 58 N -0.11 1.54 -1.51 -3.49 -0.04 -1.26 -4.75 135.00 125.37 2feb n PRO 58 Ca -0.08 0.41 -0.33 0.00 -0.04 0.00 0.00 63.50 63.46 2feb n PRO 58 Cb 0.53 -2.88 -0.16 0.00 -0.04 0.00 0.00 33.50 30.95 2feb n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2feb n ASN 59 N 10.94 0.09 -1.13 3.54 5.03 -1.26 -4.72 115.26 127.75 2feb n ASN 59 Ca 0.35 -0.20 0.05 0.00 0.87 0.00 0.00 54.58 55.65 2feb n ASN 59 Cb 0.35 -0.92 0.22 0.00 -1.02 0.00 0.00 39.78 38.40 2feb n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2feb n ALA 60 N 10.13 3.02 -3.41 5.41 0.00 -1.26 -4.93 120.51 129.47 2feb n ALA 60 Ca 0.62 -0.98 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 2feb n ALA 60 Cb 0.14 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.62 2feb n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2feb n GLY 61 N 0.62 -0.91 3.77 0.00 0.00 -1.26 -4.92 105.19 102.50 2feb n GLY 61 Ca 0.15 0.43 -0.40 0.00 0.00 0.00 0.00 46.02 46.21 2feb n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2feb s LEU 62 N -5.90 4.19 -1.54 0.99 1.43 -1.26 -4.86 118.68 111.73 2feb s LEU 62 Ca 0.34 2.93 -0.12 0.00 -1.03 0.00 0.00 54.13 56.25 2feb s LEU 62 Cb -0.06 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.29 2feb s LEU 62 CO 0.77 -1.04 2.60 0.35 0.23 0.00 0.00 176.35 179.26 2feb n THR 63 N 0.05 3.89 0.00 5.49 -2.24 -1.26 -4.86 114.28 115.35 2feb n THR 63 Ca 0.04 -2.80 0.00 0.00 -2.27 0.00 0.00 64.05 59.01 2feb n THR 63 Cb 0.41 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.03 2feb n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2feb n ARG 64 N 4.83 0.00 0.00 -0.78 1.74 -1.26 0.01 116.66 121.20 2feb n ARG 64 Ca 0.65 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2feb n ARG 64 Cb 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 2feb n ARG 64 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2feb n ASN 65 N 1.78 0.32 -4.55 0.55 6.94 -1.26 -0.92 115.26 118.13 2feb n ASN 65 Ca 0.00 -1.14 -0.18 0.00 -0.02 0.00 0.00 54.58 53.25 2feb n ASN 65 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 2feb n ASN 65 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2feb n TYR 66 N -0.07 0.98 0.00 -2.53 4.02 0.10 -4.06 117.16 115.61 2feb n TYR 66 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2feb n TYR 66 Cb 0.39 -2.26 0.00 0.00 -0.02 0.00 0.00 39.34 37.45 2feb n TYR 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2feb s ARG 68 N 0.00 1.15 0.03 0.00 1.04 -1.26 -4.84 118.95 115.08 2feb s ARG 68 Ca 0.00 -0.69 0.04 0.00 -1.04 0.00 0.00 55.73 54.04 2feb s ARG 68 Cb 0.00 0.36 -0.02 0.00 -2.04 0.00 0.00 34.95 33.25 2feb s ARG 68 CO 0.00 -0.53 -0.11 0.54 -0.04 0.00 0.00 175.30 175.16 2feb s ASN 69 N -3.13 1.28 0.45 -2.89 4.22 -1.26 -3.60 114.94 110.01 2feb s ASN 69 Ca 0.16 -0.42 0.22 0.00 -2.14 0.00 0.00 52.86 50.68 2feb s ASN 69 Cb -0.01 -0.07 1.08 0.00 1.28 0.00 0.00 41.25 43.53 2feb s ASN 69 CO 0.03 -0.02 1.93 1.55 -2.04 0.00 0.00 177.10 178.55 2feb h PRO 70 N 5.02 0.00 0.00 3.55 0.13 -1.93 -3.44 132.00 135.32 2feb h PRO 70 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2feb h PRO 70 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2feb h PRO 70 CO 0.44 0.23 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 2feb n ASP 71 N -3.74 0.00 -3.61 1.44 9.92 -1.26 -5.09 116.55 114.21 2feb n ASP 71 Ca -0.01 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.19 2feb n ASP 71 Cb 0.34 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.75 2feb n ASP 71 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2feb s ALA 72 N -2.67 -1.53 -0.30 2.24 0.00 -1.26 -4.85 121.76 113.39 2feb s ALA 72 Ca 0.00 1.78 -0.08 0.00 0.00 0.00 0.00 51.96 53.66 2feb s ALA 72 Cb 0.00 -1.56 0.18 0.00 0.00 0.00 0.00 23.12 21.75 2feb s ALA 72 CO 0.00 -0.88 0.92 -2.00 0.00 0.00 0.00 175.76 173.79 2feb s GLU 73 N 2.72 0.29 0.23 0.00 2.12 -1.26 -5.08 118.70 117.71 2feb s GLU 73 Ca -0.01 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.74 2feb s GLU 73 Cb -0.12 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.49 2feb s GLU 73 CO -0.16 -0.40 0.00 0.44 -0.54 0.00 0.00 175.26 174.61 2feb n ILE 74 N 5.36 0.00 -4.21 -3.70 -5.35 -1.26 -4.32 119.36 105.88 2feb n ILE 74 Ca -0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.24 2feb n ILE 74 Cb 0.54 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 2feb n ILE 74 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2feb s ARG 75 N 0.00 2.55 1.30 6.28 1.70 -1.26 -2.87 118.95 126.65 2feb s ARG 75 Ca 0.00 -1.22 -0.22 0.00 -0.47 0.00 0.00 55.73 53.82 2feb s ARG 75 Cb 0.00 -2.35 0.33 0.00 -0.57 0.00 0.00 34.95 32.36 2feb s ARG 75 CO 0.00 0.40 0.89 -0.35 -1.08 0.00 0.00 175.30 175.15 2feb n PRO 76 N -0.83 -4.11 -3.33 3.89 -0.04 -1.24 -4.92 135.00 124.42 2feb n PRO 76 Ca -0.08 -1.46 -0.13 0.00 -0.04 0.00 0.00 63.50 61.80 2feb n PRO 76 Cb 0.58 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 2feb n PRO 76 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2feb s TRP 77 N -2.32 -0.64 0.34 0.54 1.48 -1.24 -4.06 118.94 113.04 2feb s TRP 77 Ca 0.64 -0.45 0.04 0.00 -1.06 0.00 0.00 56.10 55.27 2feb s TRP 77 Cb -0.09 -0.25 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 2feb s TRP 77 CO 0.52 -1.00 0.16 0.00 -4.06 0.00 0.00 176.95 172.57 2feb n TYR 79 N -0.75 0.00 -3.50 0.00 4.02 -1.09 0.98 117.16 116.83 2feb n TYR 79 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.84 2feb n TYR 79 Cb 0.54 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.86 2feb n TYR 79 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2feb n THR 80 N 0.00 0.00 -1.32 -0.72 -2.24 -1.26 -3.63 114.28 105.12 2feb n THR 80 Ca 0.00 -0.34 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 2feb n THR 80 Cb 0.00 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 2feb n THR 80 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2feb n MET 81 N -0.13 2.24 -3.60 -0.78 1.56 -1.21 -3.83 117.12 111.37 2feb n MET 81 Ca -0.01 -2.15 -0.15 0.00 -0.27 0.00 0.00 57.70 55.12 2feb n MET 81 Cb 0.13 -2.00 -0.07 0.00 2.15 0.00 0.00 33.22 33.43 2feb n MET 81 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2feb s ASP 82 N 0.25 -0.73 -0.11 6.12 2.15 -1.26 -4.92 116.67 118.17 2feb s ASP 82 Ca 0.51 1.27 0.05 0.00 0.43 0.00 0.00 52.55 54.81 2feb s ASP 82 Cb 0.35 1.24 0.31 0.00 -0.30 0.00 0.00 42.92 44.52 2feb s ASP 82 CO -0.15 -0.34 1.06 -0.81 -0.17 0.00 0.00 175.17 174.76 2feb n PRO 83 N 2.26 2.33 -0.00 4.34 -0.04 -1.26 -3.66 135.00 138.96 2feb n PRO 83 Ca -0.15 -1.22 0.03 0.00 -0.04 0.00 0.00 63.50 62.12 2feb n PRO 83 Cb 0.55 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 2feb n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2feb n SER 84 N 0.17 1.10 -0.06 3.54 2.88 -1.26 -4.77 113.62 115.22 2feb n SER 84 Ca 0.13 -0.49 -0.04 0.00 -1.33 0.00 0.00 58.87 57.15 2feb n SER 84 Cb 0.69 1.08 -0.01 0.00 -0.75 0.00 0.00 64.21 65.22 2feb n SER 84 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2feb n VAL 85 N -1.31 1.11 0.00 2.46 0.31 -1.24 -4.97 118.33 114.69 2feb n VAL 85 Ca 0.01 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 2feb n VAL 85 Cb 0.12 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 2feb n VAL 85 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2feb n ARG 86 N -4.11 0.00 -3.59 5.55 1.74 -1.26 -4.87 116.66 110.11 2feb n ARG 86 Ca -0.06 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.90 2feb n ARG 86 Cb 0.21 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.58 2feb n ARG 86 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2feb s TRP 87 N -0.66 -0.57 0.08 -1.55 -0.11 -1.26 -4.58 118.94 110.28 2feb s TRP 87 Ca 0.00 1.23 -0.26 0.00 1.22 0.00 0.00 56.10 58.29 2feb s TRP 87 Cb 0.00 0.37 0.08 0.00 -1.50 0.00 0.00 33.47 32.42 2feb s TRP 87 CO 0.00 -0.38 0.71 -1.21 -4.62 0.00 0.00 176.95 171.45 2feb s GLU 88 N -0.37 1.10 0.73 5.86 0.41 0.28 -4.91 118.70 121.80 2feb s GLU 88 Ca -0.02 -0.33 -0.02 0.00 -0.41 0.00 0.00 54.97 54.19 2feb s GLU 88 Cb -0.03 0.51 0.13 0.00 -1.78 0.00 0.00 34.13 32.96 2feb s GLU 88 CO 0.01 -0.47 1.01 0.71 -0.49 0.00 0.00 175.26 176.04 2feb s TYR 89 N -3.23 1.64 -0.01 1.61 1.51 -1.26 -1.75 117.35 115.87 2feb s TYR 89 Ca 0.01 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 2feb s TYR 89 Cb -0.01 -3.08 -0.03 0.00 -0.11 0.00 0.00 41.96 38.73 2feb s TYR 89 CO -0.09 -1.76 -0.05 0.00 -1.11 0.00 0.00 175.55 172.54 2feb n ASN 91 N 1.59 -0.34 -3.35 0.00 2.04 0.45 -4.78 115.26 110.87 2feb n ASN 91 Ca -0.16 -0.72 -0.02 0.00 -0.44 0.00 0.00 54.58 53.24 2feb n ASN 91 Cb 0.53 -0.89 -0.05 0.00 -2.53 0.00 0.00 39.78 36.84 2feb n ASN 91 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2feb s LEU 92 N 5.05 -1.03 0.07 -4.53 1.02 -1.20 -4.25 118.68 113.81 2feb s LEU 92 Ca 1.21 0.80 -0.05 0.00 0.02 0.00 0.00 54.13 56.12 2feb s LEU 92 Cb -0.68 1.77 -0.02 0.00 0.02 0.00 0.00 46.19 47.28 2feb s LEU 92 CO 0.43 -0.26 0.07 0.42 0.02 0.00 0.00 176.35 177.03 2feb s THR 93 N 2.74 0.18 -0.18 5.49 -4.23 0.87 -4.63 115.64 115.87 2feb s THR 93 Ca 0.12 -1.52 -0.29 0.00 -1.18 0.00 0.00 61.69 58.82 2feb s THR 93 Cb -0.14 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.20 2feb s THR 93 CO -0.18 -0.83 2.01 -0.13 -0.54 0.00 0.00 174.62 174.95 2feb s ARG 94 N -3.90 3.46 0.75 3.99 0.52 -1.26 0.27 118.95 122.79 2feb s ARG 94 Ca 0.06 2.00 -0.15 0.00 -0.52 0.00 0.00 55.73 57.12 2feb s ARG 94 Cb 0.07 -4.25 0.05 0.00 0.52 0.00 0.00 34.95 31.33 2feb s ARG 94 CO -0.10 -1.72 1.18 0.00 0.02 0.00 0.00 175.30 174.69 2feb s PRO 96 N -3.78 3.19 0.89 0.00 0.04 -1.26 -4.96 135.00 129.11 2feb s PRO 96 Ca 0.76 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 2feb s PRO 96 Cb -0.32 -4.28 0.12 0.00 0.04 0.00 0.00 34.50 30.06 2feb s PRO 96 CO 0.48 -2.03 1.09 0.28 0.04 0.00 0.00 177.00 176.86 2feb n VAL 97 N 7.56 0.50 -2.16 -0.36 0.31 -1.26 -4.87 118.33 118.06 2feb n VAL 97 Ca 0.26 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 64.11 2feb n VAL 97 Cb 0.47 -1.01 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 2feb n VAL 97 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2feb s THR 98 N -2.49 3.58 -0.48 2.52 -1.32 -1.26 -4.96 115.64 111.23 2feb s THR 98 Ca 0.68 0.52 -0.14 0.00 -1.21 0.00 0.00 61.69 61.53 2feb s THR 98 Cb -0.24 -4.00 0.10 0.00 -1.51 0.00 0.00 72.50 66.84 2feb s THR 98 CO 0.57 -0.78 0.40 -1.61 -2.21 0.00 0.00 174.62 170.99 2feb s GLU 99 N 5.90 2.87 0.00 7.08 2.02 0.26 -4.81 118.70 132.02 2feb s GLU 99 Ca 0.67 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 54.13 2feb s GLU 99 Cb -0.16 -4.10 0.00 0.00 0.10 0.00 0.00 34.13 29.97 2feb s GLU 99 CO 0.28 -1.13 0.00 0.43 0.02 0.00 0.00 175.26 174.86 2feb n SER 100 N 5.14 0.00 0.00 -0.19 7.64 -1.26 -2.68 113.62 122.27 2feb n SER 100 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2feb n SER 100 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2feb n SER 100 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2feb n SER 101 N 1.71 0.12 -0.56 6.43 2.88 -1.26 -5.32 113.62 117.61 2feb n SER 101 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2feb n SER 101 Cb 0.00 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 63.92 2feb n SER 101 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36