#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 -1.29 -1.88 6.28 2.13 -1.26 -4.84 120.64 119.78 2feb n GLU 2 Ca 0.00 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.67 2feb n GLU 2 Cb 0.00 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.13 2feb n GLU 2 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2feb n GLY 3 N -1.90 4.28 2.03 8.31 0.00 -1.26 -4.36 105.19 112.28 2feb n GLY 3 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2feb n GLY 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2feb n ARG 4 N 0.00 0.00 -3.65 1.61 0.63 -1.26 -5.02 116.66 108.97 2feb n ARG 4 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2feb n ARG 4 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2feb n ARG 4 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2feb s HIS 5 N -1.12 -0.16 0.46 -0.14 3.76 -1.26 -5.15 115.29 111.68 2feb s HIS 5 Ca 0.00 0.34 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 2feb s HIS 5 Cb 0.00 0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.87 2feb s HIS 5 CO 0.00 -0.08 0.00 -1.33 -0.85 0.00 0.00 174.74 172.48 2feb n MET 6 N 2.89 -4.30 -3.63 1.40 2.81 -1.26 -5.02 117.12 110.01 2feb n MET 6 Ca -0.16 3.18 -0.04 0.00 -1.81 0.00 0.00 57.70 58.87 2feb n MET 6 Cb 0.57 -3.57 -0.05 0.00 -0.71 0.00 0.00 33.22 29.46 2feb n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2feb s ALA 7 N -3.04 -2.09 -0.22 3.04 0.00 -1.26 -4.76 121.76 113.44 2feb s ALA 7 Ca 0.00 1.81 -0.00 0.00 0.00 0.00 0.00 51.96 53.77 2feb s ALA 7 Cb 0.00 -1.38 0.18 0.00 0.00 0.00 0.00 23.12 21.92 2feb s ALA 7 CO 0.00 -0.24 1.83 -0.35 0.00 0.00 0.00 175.76 177.00 2feb n PRO 8 N 0.70 1.55 -4.29 0.00 -0.04 -1.26 -4.83 135.00 126.84 2feb n PRO 8 Ca -0.03 -1.13 -0.36 0.00 -0.04 0.00 0.00 63.50 61.93 2feb n PRO 8 Cb 0.58 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 2feb n PRO 8 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2feb n THR 9 N 0.45 -1.02 -3.47 0.52 5.66 -1.26 -4.91 114.28 110.26 2feb n THR 9 Ca 0.22 -0.13 0.01 0.00 -3.05 0.00 0.00 64.05 61.10 2feb n THR 9 Cb 0.65 -1.41 -0.04 0.00 -1.55 0.00 0.00 70.33 67.98 2feb n THR 9 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2feb s GLU 10 N -7.02 0.37 0.57 1.09 2.56 -1.26 -4.99 118.70 110.01 2feb s GLU 10 Ca 0.58 0.92 0.00 0.00 0.00 0.00 0.00 54.97 56.47 2feb s GLU 10 Cb -0.33 0.54 0.00 0.00 2.00 0.00 0.00 34.13 36.34 2feb s GLU 10 CO 0.96 -0.13 0.00 0.27 -0.56 0.00 0.00 175.26 175.80 2feb n ASN 11 N 5.05 -2.34 -0.01 -1.70 0.23 -1.26 -4.79 115.26 110.44 2feb n ASN 11 Ca -0.10 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2feb n ASN 11 Cb 0.52 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 2feb n ASN 11 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2feb n SER 12 N -3.83 -1.74 -3.35 0.53 2.88 -1.26 -2.91 113.62 103.94 2feb n SER 12 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2feb n SER 12 Cb 0.06 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.02 2.15 -2.41 2.46 5.66 -1.26 -4.01 114.28 116.85 2feb n THR 13 Ca 0.00 -1.49 0.02 0.00 -3.05 0.00 0.00 64.05 59.53 2feb n THR 13 Cb 0.00 -2.20 0.00 0.00 -1.55 0.00 0.00 70.33 66.59 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 4.07 0.91 3.40 1.09 0.00 -1.14 -4.34 105.19 109.18 2feb n GLY 14 Ca 0.46 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2feb n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2feb s VAL 15 N 0.00 2.31 0.45 1.61 0.11 -1.26 -4.36 120.40 119.26 2feb s VAL 15 Ca 0.28 -1.75 0.05 0.00 -2.93 0.00 0.00 61.98 57.62 2feb s VAL 15 Cb 0.32 -2.03 -0.05 0.00 -1.53 0.00 0.00 36.38 33.08 2feb s VAL 15 CO -0.14 0.08 0.01 -1.10 -3.33 0.00 0.00 175.10 170.62 2feb s GLN 16 N -2.09 2.05 0.52 1.54 -1.52 -1.26 -4.26 119.66 114.63 2feb s GLN 16 Ca 0.15 -2.22 0.00 0.00 -1.95 0.00 0.00 55.36 51.34 2feb s GLN 16 Cb -0.10 -1.59 0.00 0.00 -0.22 0.00 0.00 33.01 31.10 2feb s GLN 16 CO 0.06 -0.17 0.00 -0.25 -0.25 0.00 0.00 175.29 174.69 2feb n ASP 17 N -1.08 -7.74 -4.85 5.90 8.00 -1.26 -2.82 116.55 112.70 2feb n ASP 17 Ca -0.10 1.51 -0.26 0.00 0.71 0.00 0.00 54.79 56.65 2feb n ASP 17 Cb 0.67 -4.43 -0.04 0.00 -0.02 0.00 0.00 41.12 37.29 2feb n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2feb n TYR 19 N -0.44 -1.54 -3.85 0.00 0.18 0.50 -4.31 117.16 107.71 2feb n TYR 19 Ca -0.08 -1.78 -0.12 0.00 1.88 0.00 0.00 57.90 57.81 2feb n TYR 19 Cb 0.54 -0.40 -0.10 0.00 -0.38 0.00 0.00 39.34 39.01 2feb n TYR 19 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2feb s ARG 20 N -3.94 0.43 2.84 -3.48 0.52 -1.26 -4.21 118.95 109.85 2feb s ARG 20 Ca 0.36 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 2feb s ARG 20 Cb -0.03 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.62 2feb s ARG 20 CO 0.23 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.86 2feb n GLY 21 N 1.83 1.88 3.35 -3.53 0.00 -1.26 -3.28 105.19 104.18 2feb n GLY 21 Ca -0.20 0.47 -0.46 0.00 0.00 0.00 0.00 46.02 45.83 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 6.89 0.54 1.61 1.47 -1.26 -4.86 116.67 117.06 2feb s ASP 22 Ca 0.00 -2.82 0.34 0.00 1.18 0.00 0.00 52.55 51.25 2feb s ASP 22 Cb 0.00 -2.24 1.86 0.00 -0.34 0.00 0.00 42.92 42.20 2feb s ASP 22 CO 0.00 -0.58 2.04 1.23 0.68 0.00 0.00 175.17 178.54 2feb h GLY 23 N 7.97 0.00 -5.16 2.12 0.00 -1.58 -2.50 103.07 103.92 2feb h GLY 23 Ca 0.14 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.74 2feb h GLY 23 CO 0.88 0.00 0.59 0.61 0.00 0.00 0.00 176.54 178.61 2feb n GLN 24 N -2.75 3.43 -3.44 4.80 -0.00 0.73 -3.71 117.38 116.45 2feb n GLN 24 Ca -0.02 -4.03 -0.38 0.00 -0.00 0.00 0.00 57.00 52.58 2feb n GLN 24 Cb 0.11 -2.30 -0.07 0.00 -0.00 0.00 0.00 30.24 27.98 2feb n GLN 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2feb s SER 25 N -1.79 6.44 0.37 2.61 1.04 -0.94 -4.62 113.70 116.81 2feb s SER 25 Ca 0.49 0.52 0.18 0.00 0.48 0.00 0.00 55.95 57.61 2feb s SER 25 Cb 0.37 -2.22 1.12 0.00 0.10 0.00 0.00 66.02 65.40 2feb s SER 25 CO -0.30 -0.01 1.70 0.22 0.98 0.00 0.00 173.24 175.82 2feb h TYR 26 N 7.13 0.79 -3.76 5.02 5.03 -1.88 -3.41 116.97 125.89 2feb h TYR 26 Ca -0.38 0.03 -0.49 0.00 2.58 0.00 0.00 58.73 60.47 2feb h TYR 26 Cb 1.16 -0.22 0.05 0.00 1.55 0.00 0.00 36.73 39.28 2feb h TYR 26 CO 0.65 -0.08 0.19 0.50 -1.32 0.00 0.00 178.16 178.11 2feb s ARG 27 N -5.56 3.29 0.00 1.82 3.52 -1.26 -4.49 118.95 116.27 2feb s ARG 27 Ca -0.09 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 2feb s ARG 27 Cb 0.28 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.39 2feb s ARG 27 CO 0.80 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 175.22 2feb n GLY 28 N -2.48 3.15 2.60 8.12 0.00 -1.26 -4.93 105.19 110.37 2feb n GLY 28 Ca 0.03 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.96 1.56 0.00 2.61 -2.24 -1.26 -4.79 114.28 109.20 2feb n THR 29 Ca 0.00 -3.44 0.00 0.00 -2.27 0.00 0.00 64.05 58.34 2feb n THR 29 Cb 0.00 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2feb n THR 29 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2feb n LEU 30 N -0.45 0.46 -1.41 3.22 4.32 -1.26 -5.01 117.00 116.87 2feb n LEU 30 Ca 0.18 0.26 -0.03 0.00 -0.02 0.00 0.00 56.01 56.41 2feb n LEU 30 Cb 0.82 -0.39 0.01 0.00 -1.62 0.00 0.00 43.42 42.25 2feb n LEU 30 CO 0.22 -0.39 0.02 -0.24 -1.22 0.00 0.00 177.39 175.78 2feb n SER 31 N -1.86 -2.03 -1.91 -1.43 2.88 -1.26 -4.82 113.62 103.20 2feb n SER 31 Ca 0.00 -0.10 -0.07 0.00 -1.33 0.00 0.00 58.87 57.37 2feb n SER 31 Cb 0.00 -1.27 -0.02 0.00 -0.75 0.00 0.00 64.21 62.17 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 -1.53 0.00 0.00 2.46 -1.04 -1.26 -4.37 114.28 108.55 2feb n THR 32 Ca -0.05 -0.85 0.00 0.00 -2.04 0.00 0.00 64.05 61.11 2feb n THR 32 Cb 0.53 0.50 0.00 0.00 -1.82 0.00 0.00 70.33 69.54 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 -0.26 0.00 0.00 12.58 -2.24 0.23 -3.69 114.28 120.89 2feb n THR 33 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2feb n THR 33 Cb 0.26 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.65 0.00 -2.64 2.28 0.13 -1.26 -0.75 119.36 116.47 2feb n ILE 34 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 2feb n ILE 34 Cb 0.00 -0.08 0.03 0.00 -0.84 0.00 0.00 39.64 38.75 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 -1.14 1.28 0.00 9.51 -1.04 -1.26 -4.60 114.28 117.03 2feb n THR 35 Ca 0.00 -3.37 0.00 0.00 -2.04 0.00 0.00 64.05 58.64 2feb n THR 35 Cb 0.05 0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 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 -0.20 2.85 3.58 3.41 0.00 -1.26 -5.03 105.19 108.53 2feb n GLY 36 Ca 0.14 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 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 1.27 -2.02 1.61 1.74 -1.26 -4.62 116.66 113.38 2feb n ARG 37 Ca 0.00 0.45 -0.29 0.00 -0.77 0.00 0.00 57.85 57.24 2feb n ARG 37 Cb 0.00 -1.84 0.19 0.00 -1.02 0.00 0.00 32.46 29.79 2feb n ARG 37 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2feb s THR 38 N -1.13 2.01 -1.17 0.55 -4.23 -1.26 0.76 115.64 111.16 2feb s THR 38 Ca 0.60 -0.07 0.28 0.00 -1.18 0.00 0.00 61.69 61.31 2feb s THR 38 Cb -0.67 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 70.45 2feb s THR 38 CO 0.59 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.40 2feb n GLN 40 N -1.35 -4.82 -1.82 0.00 0.00 -1.22 -3.13 117.38 105.04 2feb n GLN 40 Ca 0.08 3.47 -0.42 0.00 -0.00 0.00 0.00 57.00 60.14 2feb n GLN 40 Cb 0.32 -3.82 -0.03 0.00 0.00 0.00 0.00 30.24 26.72 2feb n GLN 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2feb s SER 41 N -1.82 6.51 0.00 1.69 0.15 -1.26 -4.11 113.70 114.86 2feb s SER 41 Ca 0.00 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.28 2feb s SER 41 Cb 0.00 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2feb s SER 41 CO 0.00 -0.95 0.88 0.79 1.20 0.00 0.00 173.24 175.16 2feb n TRP 42 N 5.62 0.00 0.17 3.44 7.02 -1.24 -0.62 117.44 131.82 2feb n TRP 42 Ca 0.17 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.67 2feb n TRP 42 Cb 0.39 -0.36 -0.00 0.00 -2.42 0.00 0.00 31.31 28.92 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 -1.36 0.78 -4.28 -0.99 2.88 -1.26 -4.65 113.62 104.73 2feb n SER 43 Ca 0.00 -0.89 -0.42 0.00 -1.33 0.00 0.00 58.87 56.23 2feb n SER 43 Cb 0.00 0.48 -0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2feb n SER 43 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2feb n SER 44 N -0.40 4.46 -4.44 -3.46 3.41 0.21 -4.90 113.62 108.50 2feb n SER 44 Ca 0.02 -2.88 -0.44 0.00 -0.26 0.00 0.00 58.87 55.31 2feb n SER 44 Cb 0.08 -1.71 -0.03 0.00 -0.26 0.00 0.00 64.21 62.29 2feb n SER 44 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2feb s MET 45 N 3.99 3.44 0.21 4.33 1.75 -1.26 -4.56 119.30 127.19 2feb s MET 45 Ca 0.52 -1.52 0.00 0.00 -1.25 0.00 0.00 55.69 53.44 2feb s MET 45 Cb 0.07 -4.70 0.00 0.00 2.84 0.00 0.00 34.83 33.04 2feb s MET 45 CO 0.03 -1.76 0.00 0.25 -0.65 0.00 0.00 175.02 172.89 2feb n THR 46 N 5.58 0.00 0.06 10.11 -2.24 -1.26 -4.95 114.28 121.58 2feb n THR 46 Ca 0.15 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.85 2feb n THR 46 Cb 0.48 -0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.02 -2.01 -0.78 0.13 -2.01 -3.46 132.00 123.89 2feb h PRO 47 Ca 0.00 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2feb h PRO 47 Cb 0.00 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 30.93 2feb h PRO 47 CO 0.00 0.98 0.01 -3.38 -0.23 0.00 0.00 178.00 175.38 2feb s HIS 48 N -2.70 -1.07 1.25 1.56 -3.43 -1.26 -4.93 115.29 104.71 2feb s HIS 48 Ca 0.00 2.13 -0.18 0.00 -0.80 0.00 0.00 55.06 56.20 2feb s HIS 48 Cb 0.10 0.64 0.27 0.00 -1.43 0.00 0.00 32.58 32.15 2feb s HIS 48 CO 0.83 -0.53 0.62 0.91 -2.00 0.00 0.00 174.74 174.56 2feb n TRP 49 N 4.34 -2.56 -4.21 0.38 7.02 -1.26 -4.65 117.44 116.50 2feb n TRP 49 Ca -0.20 -0.33 -0.13 0.00 -1.02 0.00 0.00 57.50 55.82 2feb n TRP 49 Cb 0.59 -1.46 -0.05 0.00 -2.42 0.00 0.00 31.31 27.97 2feb n TRP 49 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2feb n HIS 50 N -5.09 -0.39 -0.54 -5.99 8.25 -1.26 -5.01 115.22 105.18 2feb n HIS 50 Ca 0.07 -1.79 -0.04 0.00 -0.26 0.00 0.00 57.72 55.70 2feb n HIS 50 Cb 0.53 0.15 0.03 0.00 1.12 0.00 0.00 29.99 31.82 2feb n HIS 50 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2feb n ARG 51 N -0.45 -1.31 -1.54 -0.41 -4.01 -1.26 -4.73 116.66 102.96 2feb n ARG 51 Ca 0.03 -0.21 -0.20 0.00 -1.04 0.00 0.00 57.85 56.43 2feb n ARG 51 Cb 0.39 -0.20 -0.12 0.00 -3.04 0.00 0.00 32.46 29.49 2feb n ARG 51 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2feb n ARG 52 N -1.93 0.39 -0.74 2.89 3.00 -1.26 -4.87 116.66 114.14 2feb n ARG 52 Ca 0.02 -0.44 -0.32 0.00 -0.01 0.00 0.00 57.85 57.09 2feb n ARG 52 Cb 0.07 -2.67 0.14 0.00 0.00 0.00 0.00 32.46 30.00 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 7.58 0.00 -0.24 0.55 -5.35 -1.26 -4.58 119.36 116.06 2feb n ILE 53 Ca 0.54 -0.22 -0.17 0.00 -0.27 0.00 0.00 62.75 62.63 2feb n ILE 53 Cb 0.32 -0.65 -0.04 0.00 -1.74 0.00 0.00 39.64 37.52 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 -2.10 0.00 0.00 6.28 -0.04 -1.26 -2.91 135.00 134.97 2feb n PRO 54 Ca 0.05 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 2feb n PRO 54 Cb 0.56 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 2feb n PRO 54 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2feb n LEU 55 N 6.33 0.00 -0.13 1.53 7.94 -1.26 -4.97 117.00 126.44 2feb n LEU 55 Ca 0.17 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.82 2feb n LEU 55 Cb 0.16 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.02 2feb n LEU 55 CO 0.73 0.00 -1.38 -1.22 -1.11 0.00 0.00 177.39 174.41 2feb n TYR 56 N -1.00 0.00 -2.44 1.96 4.02 -1.15 -4.99 117.16 113.57 2feb n TYR 56 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 2feb n TYR 56 Cb 0.00 -0.94 -0.04 0.00 -0.02 0.00 0.00 39.34 38.34 2feb n TYR 56 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2feb s TYR 57 N -2.48 3.43 -0.22 -0.72 1.13 -1.26 -4.95 117.35 112.28 2feb s TYR 57 Ca -0.36 1.48 -0.31 0.00 -1.41 0.00 0.00 57.07 56.48 2feb s TYR 57 Cb 0.13 -2.80 -0.08 0.00 -1.10 0.00 0.00 41.96 38.10 2feb s TYR 57 CO 0.48 -0.36 2.15 -0.35 -2.51 0.00 0.00 175.55 174.97 2feb n PRO 58 N -1.49 1.80 -1.50 -3.49 -0.04 -1.26 -4.74 135.00 124.28 2feb n PRO 58 Ca 0.07 0.54 -0.28 0.00 -0.04 0.00 0.00 63.50 63.78 2feb n PRO 58 Cb 0.54 -2.92 -0.19 0.00 -0.04 0.00 0.00 33.50 30.89 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 10.21 -0.58 -0.03 3.54 5.03 -1.26 -4.74 115.26 127.44 2feb n ASN 59 Ca 0.32 -0.35 -0.16 0.00 0.87 0.00 0.00 54.58 55.26 2feb n ASN 59 Cb 0.36 -0.76 -0.13 0.00 -1.02 0.00 0.00 39.78 38.23 2feb n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2feb h ALA 60 N 11.71 -0.02 0.00 5.41 0.00 -2.01 -3.49 119.26 130.86 2feb h ALA 60 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2feb h ALA 60 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2feb h ALA 60 CO 1.50 0.12 0.00 0.41 0.00 0.00 0.00 179.25 181.28 2feb n GLY 61 N 1.52 0.83 3.64 0.00 0.00 -1.26 -5.08 105.19 104.84 2feb n GLY 61 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2feb n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2feb n LEU 62 N 0.00 3.78 -3.28 0.99 4.77 -1.26 -4.84 117.00 117.16 2feb n LEU 62 Ca 0.00 0.66 -0.38 0.00 -0.03 0.00 0.00 56.01 56.26 2feb n LEU 62 Cb 0.00 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.53 2feb n LEU 62 CO 0.00 -0.13 3.35 0.41 -1.33 0.00 0.00 177.39 179.68 2feb n THR 63 N 6.32 4.23 -0.85 -5.08 -1.04 -1.26 -4.93 114.28 111.66 2feb n THR 63 Ca 0.24 -2.52 0.00 0.00 -2.04 0.00 0.00 64.05 59.73 2feb n THR 63 Cb 0.41 -2.59 0.00 0.00 -1.82 0.00 0.00 70.33 66.33 2feb n THR 63 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2feb n ARG 64 N 3.59 0.00 -1.14 -2.82 1.74 -1.26 -2.28 116.66 114.48 2feb n ARG 64 Ca 0.77 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.62 2feb n ARG 64 Cb 0.24 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.70 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 3.90 6.74 -4.17 0.55 6.94 -1.26 -3.67 115.26 124.29 2feb n ASN 65 Ca 0.00 -3.25 -0.43 0.00 -0.02 0.00 0.00 54.58 50.87 2feb n ASN 65 Cb 0.00 -1.08 0.00 0.00 -2.36 0.00 0.00 39.78 36.34 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 0.21 3.94 0.00 -2.53 4.01 -0.97 -3.54 117.16 118.28 2feb n TYR 66 Ca 0.41 -3.10 0.00 0.00 -0.16 0.00 0.00 57.90 55.05 2feb n TYR 66 Cb 0.57 -1.99 0.00 0.00 -0.31 0.00 0.00 39.34 37.61 2feb n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2feb n ARG 68 N 0.68 0.32 -3.82 0.00 1.85 -1.26 -4.53 116.66 109.90 2feb n ARG 68 Ca 0.00 -0.73 -0.12 0.00 -1.00 0.00 0.00 57.85 56.00 2feb n ARG 68 Cb 0.00 0.99 -0.09 0.00 -1.05 0.00 0.00 32.46 32.31 2feb n ARG 68 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2feb s ASN 69 N -2.22 -0.07 0.29 2.89 2.20 -1.26 -3.15 114.94 113.61 2feb s ASN 69 Ca 0.12 -0.09 0.15 0.00 -0.94 0.00 0.00 52.86 52.10 2feb s ASN 69 Cb -0.01 0.26 0.15 0.00 -2.00 0.00 0.00 41.25 39.64 2feb s ASN 69 CO 0.03 -0.43 1.48 1.55 -2.94 0.00 0.00 177.10 176.79 2feb h PRO 70 N 3.99 0.00 0.00 3.55 0.13 -1.95 -3.41 132.00 134.31 2feb h PRO 70 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.41 0.50 0.00 -3.47 -0.23 0.00 0.00 178.00 175.21 2feb n ASP 71 N -3.27 1.92 -4.24 1.44 2.03 -1.26 -5.07 116.55 108.10 2feb n ASP 71 Ca 0.02 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.02 2feb n ASP 71 Cb 0.71 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.95 2feb n ASP 71 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2feb s ALA 72 N -2.00 2.08 0.00 -1.67 0.00 -1.26 -4.82 121.76 114.09 2feb s ALA 72 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2feb s ALA 72 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2feb s ALA 72 CO 0.00 0.37 0.00 -1.91 0.00 0.00 0.00 175.76 174.22 2feb n GLU 73 N 3.10 0.00 0.00 0.00 2.13 -1.26 -5.08 120.64 119.53 2feb n GLU 73 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 2feb n GLU 73 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2feb n GLU 73 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2feb n ILE 74 N 0.00 0.00 -3.77 6.31 -5.35 -1.26 -4.37 119.36 110.92 2feb n ILE 74 Ca 0.00 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.27 2feb n ILE 74 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2feb n ILE 74 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2feb s ARG 75 N 0.00 2.82 1.26 6.28 3.00 -1.26 0.26 118.95 131.31 2feb s ARG 75 Ca 0.00 -1.22 -0.21 0.00 0.00 0.00 0.00 55.73 54.30 2feb s ARG 75 Cb 0.00 -2.55 0.31 0.00 0.00 0.00 0.00 34.95 32.71 2feb s ARG 75 CO 0.00 0.11 1.09 -1.25 0.00 0.00 0.00 175.30 175.25 2feb s PRO 76 N -4.02 -1.70 -0.32 3.54 0.04 -1.24 -4.74 135.00 126.56 2feb s PRO 76 Ca 0.41 -0.13 0.06 0.00 0.04 0.00 0.00 61.00 61.38 2feb s PRO 76 Cb -0.07 -1.55 0.19 0.00 0.04 0.00 0.00 34.50 33.12 2feb s PRO 76 CO 0.27 -4.01 0.62 1.67 0.04 0.00 0.00 177.00 175.59 2feb s TRP 77 N -2.91 -1.77 0.32 0.56 1.48 -1.19 -4.37 118.94 111.06 2feb s TRP 77 Ca 0.71 0.85 0.05 0.00 -1.06 0.00 0.00 56.10 56.66 2feb s TRP 77 Cb -0.09 0.31 -0.02 0.00 -1.16 0.00 0.00 33.47 32.51 2feb s TRP 77 CO 0.56 -1.07 0.19 0.00 -4.06 0.00 0.00 176.95 172.57 2feb n TYR 79 N -0.67 -1.61 -4.19 0.00 4.02 -1.18 0.48 117.16 114.01 2feb n TYR 79 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 2feb n TYR 79 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.76 2feb n TYR 79 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2feb s THR 80 N 0.14 0.00 -0.63 -0.72 -4.23 -1.23 -3.37 115.64 105.61 2feb s THR 80 Ca 0.00 -1.92 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 2feb s THR 80 Cb 0.00 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2feb s THR 80 CO 0.00 0.00 2.98 0.80 -0.54 0.00 0.00 174.62 177.86 2feb n MET 81 N -0.34 2.85 -3.66 3.99 1.56 -1.26 -4.70 117.12 115.57 2feb n MET 81 Ca 0.02 -2.14 -0.07 0.00 -0.27 0.00 0.00 57.70 55.25 2feb n MET 81 Cb 0.65 -2.27 -0.08 0.00 2.15 0.00 0.00 33.22 33.67 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 1.07 -0.77 -0.83 6.12 -1.08 -1.26 -4.93 116.67 114.98 2feb s ASP 82 Ca 0.62 1.29 -0.08 0.00 -0.52 0.00 0.00 52.55 53.86 2feb s ASP 82 Cb 0.30 1.41 -0.16 0.00 -1.46 0.00 0.00 42.92 43.02 2feb s ASP 82 CO -0.11 -0.22 3.05 -0.81 0.52 0.00 0.00 175.17 177.59 2feb n PRO 83 N 4.71 2.70 -0.88 4.34 -0.04 -1.26 -3.52 135.00 141.04 2feb n PRO 83 Ca -0.17 -1.55 -0.05 0.00 -0.04 0.00 0.00 63.50 61.68 2feb n PRO 83 Cb 0.54 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 2feb n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2feb n SER 84 N 3.19 -0.75 0.11 3.54 7.64 -1.26 -4.99 113.62 121.10 2feb n SER 84 Ca 0.58 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2feb n SER 84 Cb 0.49 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 2feb n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2feb n VAL 85 N 0.00 0.41 0.00 0.44 0.31 -1.23 -5.03 118.33 113.24 2feb n VAL 85 Ca -0.21 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2feb n VAL 85 Cb 0.65 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 2feb n VAL 85 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2feb n ARG 86 N -3.48 0.00 -3.50 5.55 3.00 -1.26 -4.88 116.66 112.08 2feb n ARG 86 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2feb n ARG 86 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 2feb n ARG 86 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 2feb s TRP 87 N -0.65 -0.46 0.21 -0.14 1.48 -1.26 -4.63 118.94 113.49 2feb s TRP 87 Ca 0.00 0.53 -0.23 0.00 -1.06 0.00 0.00 56.10 55.34 2feb s TRP 87 Cb 0.00 0.50 0.04 0.00 -1.16 0.00 0.00 33.47 32.85 2feb s TRP 87 CO 0.00 -0.58 0.76 -1.21 -4.06 0.00 0.00 176.95 171.86 2feb s GLU 88 N -2.40 1.50 0.00 3.25 0.41 0.18 -4.90 118.70 116.74 2feb s GLU 88 Ca -0.01 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.78 2feb s GLU 88 Cb -0.01 0.55 0.00 0.00 -1.78 0.00 0.00 34.13 32.89 2feb s GLU 88 CO -0.03 -0.68 0.00 0.66 -0.49 0.00 0.00 175.26 174.71 2feb n TYR 89 N -0.43 0.00 0.00 1.61 4.02 -1.26 -1.16 117.16 119.93 2feb n TYR 89 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2feb n TYR 89 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 2feb n TYR 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2feb n ASN 91 N 0.00 0.33 -3.36 0.00 2.04 0.07 -4.77 115.26 109.57 2feb n ASN 91 Ca 0.00 -0.77 0.02 0.00 -0.44 0.00 0.00 54.58 53.39 2feb n ASN 91 Cb 0.00 -1.10 -0.02 0.00 -2.53 0.00 0.00 39.78 36.13 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 7.76 -1.25 0.06 -4.53 1.02 -1.13 -4.69 118.68 115.92 2feb s LEU 92 Ca 1.15 1.15 -0.03 0.00 0.02 0.00 0.00 54.13 56.42 2feb s LEU 92 Cb -0.58 2.20 -0.03 0.00 0.02 0.00 0.00 46.19 47.80 2feb s LEU 92 CO 0.36 -0.24 0.04 0.42 0.02 0.00 0.00 176.35 176.95 2feb s THR 93 N 2.87 0.20 -0.19 5.49 -4.23 -0.27 -4.62 115.64 114.89 2feb s THR 93 Ca 0.09 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 58.71 2feb s THR 93 Cb -0.13 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.21 2feb s THR 93 CO -0.20 -0.89 2.03 -0.13 -0.54 0.00 0.00 174.62 174.90 2feb s ARG 94 N -3.86 3.43 -0.07 3.99 1.81 -1.26 0.19 118.95 123.18 2feb s ARG 94 Ca 0.06 2.00 -0.01 0.00 -1.72 0.00 0.00 55.73 56.06 2feb s ARG 94 Cb 0.07 -4.26 -0.00 0.00 -0.45 0.00 0.00 34.95 30.30 2feb s ARG 94 CO -0.10 -1.75 -0.02 0.00 -0.68 0.00 0.00 175.30 172.74 2feb n PRO 96 N -3.91 -1.11 -3.64 0.00 -0.04 -1.26 -5.03 135.00 120.01 2feb n PRO 96 Ca -0.01 -0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 62.99 2feb n PRO 96 Cb 0.04 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 31.67 2feb n PRO 96 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2feb s VAL 97 N -2.26 -0.33 1.33 0.52 1.01 -1.26 -5.16 120.40 114.25 2feb s VAL 97 Ca 0.55 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.60 2feb s VAL 97 Cb -0.13 -0.41 0.34 0.00 0.00 0.00 0.00 36.38 36.18 2feb s VAL 97 CO 0.67 0.08 0.95 1.07 0.00 0.00 0.00 175.10 177.87 2feb n THR 98 N 5.33 0.00 -3.17 3.92 5.66 -1.26 -3.86 114.28 120.91 2feb n THR 98 Ca -0.05 -0.29 -0.22 0.00 -3.05 0.00 0.00 64.05 60.44 2feb n THR 98 Cb 0.50 -1.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.33 2feb n THR 98 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2feb n GLU 99 N -5.40 -5.67 0.00 1.09 0.00 -1.26 -4.87 120.64 104.53 2feb n GLU 99 Ca 0.07 0.86 0.00 0.00 0.00 0.00 0.00 57.16 58.09 2feb n GLU 99 Cb 0.57 -5.70 0.00 0.00 0.00 0.00 0.00 31.44 26.31 2feb n GLU 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2feb n SER 100 N -2.51 0.68 -3.77 4.31 2.88 -1.25 -5.01 113.62 108.96 2feb n SER 100 Ca -0.07 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.17 2feb n SER 100 Cb 0.60 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.90 2feb n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2feb s SER 101 N -4.79 3.66 0.00 -3.46 0.01 -1.26 -5.21 113.70 102.64 2feb s SER 101 Ca 0.00 -1.32 0.18 0.00 1.31 0.00 0.00 55.95 56.12 2feb s SER 101 Cb 0.00 -0.83 1.05 0.00 0.21 0.00 0.00 66.02 66.45 2feb s SER 101 CO 0.00 -0.35 1.45 0.55 0.41 0.00 0.00 173.24 175.30