#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2feb s GLU 2 N 0.00 0.11 0.00 9.51 2.12 -1.26 -4.87 118.70 124.31 2feb s GLU 2 Ca 0.00 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.48 2feb s GLU 2 Cb 0.00 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.44 2feb s GLU 2 CO 0.00 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 2feb n GLY 3 N 2.12 4.34 2.52 -1.50 0.00 -1.26 -4.82 105.19 106.59 2feb n GLY 3 Ca -0.13 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 2feb n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2feb s ARG 4 N -4.18 0.96 0.38 1.61 1.81 -1.26 -4.99 118.95 113.27 2feb s ARG 4 Ca 0.00 -1.87 0.03 0.00 -1.72 0.00 0.00 55.73 52.17 2feb s ARG 4 Cb 0.00 -1.71 0.07 0.00 -0.45 0.00 0.00 34.95 32.86 2feb s ARG 4 CO 0.00 -1.26 0.52 0.72 -0.68 0.00 0.00 175.30 174.60 2feb n HIS 5 N 3.40 -2.81 -0.24 -0.53 8.25 -1.26 -5.10 115.22 116.93 2feb n HIS 5 Ca 0.18 -1.15 -0.25 0.00 -0.26 0.00 0.00 57.72 56.23 2feb n HIS 5 Cb 0.40 -0.37 0.24 0.00 1.12 0.00 0.00 29.99 31.39 2feb n HIS 5 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2feb n MET 6 N -1.88 -4.32 -3.40 -0.41 2.81 -1.26 -4.96 117.12 103.70 2feb n MET 6 Ca 0.10 -1.23 -0.33 0.00 -1.81 0.00 0.00 57.70 54.42 2feb n MET 6 Cb 0.35 -1.57 -0.06 0.00 -0.71 0.00 0.00 33.22 31.23 2feb n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2feb n ALA 7 N -5.32 4.26 -1.00 3.04 0.00 -1.26 -4.80 120.51 115.43 2feb n ALA 7 Ca -0.16 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.54 2feb n ALA 7 Cb 0.50 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2feb n ALA 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2feb n PRO 8 N 1.34 0.00 -2.48 0.00 -0.04 -1.25 -4.76 135.00 127.81 2feb n PRO 8 Ca 0.27 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2feb n PRO 8 Cb 0.38 -0.80 0.01 0.00 -0.04 0.00 0.00 33.50 33.05 2feb n PRO 8 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2feb n THR 9 N -0.38 0.00 -1.13 0.52 -2.24 -1.25 -4.93 114.28 104.88 2feb n THR 9 Ca 0.00 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 2feb n THR 9 Cb 0.00 0.25 0.08 0.00 -2.10 0.00 0.00 70.33 68.56 2feb n THR 9 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2feb n GLU 10 N -0.30 0.13 -0.81 -0.78 0.28 -1.26 -2.42 120.64 115.48 2feb n GLU 10 Ca 0.00 0.09 -0.35 0.00 -0.16 0.00 0.00 57.16 56.74 2feb n GLU 10 Cb 0.21 -1.83 0.11 0.00 1.43 0.00 0.00 31.44 31.37 2feb n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2feb n ASN 11 N -0.52 -2.70 -2.54 -1.84 2.85 -1.26 -3.02 115.26 106.23 2feb n ASN 11 Ca 0.09 -0.06 -0.06 0.00 -0.11 0.00 0.00 54.58 54.44 2feb n ASN 11 Cb 0.51 -0.77 -0.05 0.00 1.24 0.00 0.00 39.78 40.71 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 0.50 -0.32 -1.88 1.20 2.88 -1.26 -4.28 113.62 110.46 2feb n SER 12 Ca -0.00 1.29 -0.16 0.00 -1.33 0.00 0.00 58.87 58.66 2feb n SER 12 Cb 0.67 -5.09 -0.01 0.00 -0.75 0.00 0.00 64.21 59.03 2feb n SER 12 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2feb n THR 13 N 1.63 -0.80 0.00 2.46 -1.04 -1.26 -4.77 114.28 110.50 2feb n THR 13 Ca -0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2feb n THR 13 Cb 0.64 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 2feb n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2feb n GLY 14 N -1.02 -0.91 3.55 3.41 0.00 -1.20 -4.90 105.19 104.12 2feb n GLY 14 Ca -0.19 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2feb n GLY 14 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2feb n VAL 15 N -2.52 0.12 0.00 1.61 3.14 -1.02 -3.89 118.33 115.77 2feb n VAL 15 Ca 0.00 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2feb n VAL 15 Cb 0.00 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 2feb n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2feb n GLN 16 N -2.97 0.00 -1.66 1.45 1.13 -1.26 -4.86 117.38 109.20 2feb n GLN 16 Ca 0.10 0.00 -0.46 0.00 -1.94 0.00 0.00 57.00 54.70 2feb n GLN 16 Cb 0.53 -0.62 -0.03 0.00 0.11 0.00 0.00 30.24 30.22 2feb n GLN 16 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2feb n ASP 17 N -2.19 2.81 -4.85 1.08 2.03 -1.26 -4.85 116.55 109.33 2feb n ASP 17 Ca 0.00 1.12 -0.29 0.00 0.52 0.00 0.00 54.79 56.14 2feb n ASP 17 Cb 0.25 -1.41 -0.05 0.00 -0.72 0.00 0.00 41.12 39.18 2feb n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2feb s TYR 19 N -1.56 1.53 -0.18 0.00 -0.85 0.79 -4.30 117.35 112.79 2feb s TYR 19 Ca 0.32 -0.79 -0.04 0.00 -0.52 0.00 0.00 57.07 56.04 2feb s TYR 19 Cb -0.12 -2.05 0.07 0.00 0.38 0.00 0.00 41.96 40.24 2feb s TYR 19 CO 0.25 -0.78 0.14 1.03 -1.52 0.00 0.00 175.55 174.67 2feb s ARG 20 N -4.46 0.11 3.77 -3.49 0.52 -1.26 -4.24 118.95 109.90 2feb s ARG 20 Ca 0.47 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 2feb s ARG 20 Cb -0.04 -1.47 0.00 0.00 0.52 0.00 0.00 34.95 33.96 2feb s ARG 20 CO 0.29 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.39 2feb n GLY 21 N 5.30 0.39 3.46 -3.53 0.00 -1.26 -4.25 105.19 105.30 2feb n GLY 21 Ca -0.06 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.61 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 7.06 -0.35 1.61 -4.77 -1.26 -4.92 116.67 110.03 2feb s ASP 22 Ca 0.00 -2.96 -0.27 0.00 -3.30 0.00 0.00 52.55 46.01 2feb s ASP 22 Cb 0.00 -2.40 -0.06 0.00 -1.09 0.00 0.00 42.92 39.37 2feb s ASP 22 CO 0.00 -0.76 2.32 0.61 0.70 0.00 0.00 175.17 178.04 2feb n GLY 23 N 4.15 0.61 0.00 2.12 0.00 -1.07 -4.16 105.19 106.84 2feb n GLY 23 Ca 0.36 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.11 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 8.86 0.00 -1.99 1.61 10.64 -1.26 -3.61 117.38 131.62 2feb n GLN 24 Ca 0.34 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.37 2feb n GLN 24 Cb 0.48 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.83 2feb n GLN 24 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2feb n SER 25 N 0.00 -3.97 -2.45 2.61 7.64 -1.26 -0.52 113.62 115.67 2feb n SER 25 Ca 0.00 0.24 -0.18 0.00 1.01 0.00 0.00 58.87 59.94 2feb n SER 25 Cb 0.00 -3.49 -0.01 0.00 -1.01 0.00 0.00 64.21 59.71 2feb n SER 25 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2feb n TYR 26 N -2.82 -1.21 -3.72 1.43 4.02 -1.26 -4.92 117.16 108.69 2feb n TYR 26 Ca -0.15 0.03 -0.01 0.00 -0.01 0.00 0.00 57.90 57.76 2feb n TYR 26 Cb 0.55 -3.54 -0.00 0.00 -0.02 0.00 0.00 39.34 36.33 2feb n TYR 26 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2feb n ARG 27 N -2.99 0.03 0.00 -0.72 0.63 0.33 -4.96 116.66 108.98 2feb n ARG 27 Ca -0.20 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.58 2feb n ARG 27 Cb 0.66 0.13 0.00 0.00 0.45 0.00 0.00 32.46 33.70 2feb n ARG 27 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2feb n GLY 28 N -0.03 3.03 1.08 5.14 0.00 -1.26 -4.31 105.19 108.85 2feb n GLY 28 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 2.47 -0.09 2.61 -2.24 -1.26 -4.60 114.28 111.17 2feb n THR 29 Ca 0.00 -2.39 -0.22 0.00 -2.27 0.00 0.00 64.05 59.17 2feb n THR 29 Cb 0.00 -0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 67.81 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 -0.92 2.01 -1.79 3.22 4.77 -1.26 -4.96 117.00 118.07 2feb n LEU 30 Ca 0.30 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.48 2feb n LEU 30 Cb 1.00 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2feb n LEU 30 CO 0.19 0.40 -0.19 -1.54 -1.33 0.00 0.00 177.39 174.92 2feb n SER 31 N -4.25 -4.84 0.00 -1.43 3.41 -1.26 -4.89 113.62 100.35 2feb n SER 31 Ca -0.33 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2feb n SER 31 Cb 0.76 -4.25 0.00 0.00 -0.26 0.00 0.00 64.21 60.45 2feb n SER 31 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2feb n THR 32 N -2.67 0.00 0.00 6.66 -1.04 -1.26 -4.41 114.28 111.56 2feb n THR 32 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2feb n THR 32 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 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 0.00 0.00 0.00 12.58 -2.24 -1.13 -3.67 114.28 119.82 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 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.45 0.00 -2.44 2.28 0.13 -1.15 0.64 119.36 118.37 2feb n ILE 34 Ca 0.00 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.38 2feb n ILE 34 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 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 -1.39 2.40 -0.99 9.51 -1.04 -1.26 -3.93 114.28 117.57 2feb n THR 35 Ca 0.00 -4.89 0.00 0.00 -2.04 0.00 0.00 64.05 57.12 2feb n THR 35 Cb 0.00 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 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 -0.49 0.22 3.95 3.41 0.00 -1.26 -4.90 105.19 106.12 2feb n GLY 36 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 2feb n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2feb s ARG 37 N -1.12 0.90 0.11 1.61 1.81 -1.26 -4.92 118.95 116.08 2feb s ARG 37 Ca 0.00 -0.68 0.06 0.00 -1.72 0.00 0.00 55.73 53.39 2feb s ARG 37 Cb 0.00 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.47 2feb s ARG 37 CO 0.00 -2.15 -0.15 0.95 -0.68 0.00 0.00 175.30 173.27 2feb s THR 38 N -3.67 1.32 -0.00 0.02 -4.23 -1.26 -2.83 115.64 104.99 2feb s THR 38 Ca 0.72 -1.60 0.25 0.00 -1.18 0.00 0.00 61.69 59.88 2feb s THR 38 Cb -0.04 -1.43 0.25 0.00 1.34 0.00 0.00 72.50 72.63 2feb s THR 38 CO 0.50 -0.33 1.76 0.00 -0.54 0.00 0.00 174.62 176.01 2feb n GLN 40 N -2.40 -3.96 -1.68 0.00 1.13 -1.26 -2.98 117.38 106.23 2feb n GLN 40 Ca -0.02 2.87 -0.45 0.00 -1.94 0.00 0.00 57.00 57.47 2feb n GLN 40 Cb 0.08 -3.17 -0.04 0.00 0.11 0.00 0.00 30.24 27.22 2feb n GLN 40 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2feb n SER 41 N 0.15 3.71 0.21 1.08 7.64 -1.25 -4.26 113.62 120.90 2feb n SER 41 Ca 0.00 0.99 0.11 0.00 1.01 0.00 0.00 58.87 60.98 2feb n SER 41 Cb 0.00 -1.47 0.59 0.00 -1.01 0.00 0.00 64.21 62.32 2feb n SER 41 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2feb h TRP 42 N 8.48 0.00 0.00 1.43 4.06 -1.79 0.63 115.95 128.76 2feb h TRP 42 Ca -0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.48 2feb h TRP 42 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2feb h TRP 42 CO 0.80 0.00 -1.40 -1.13 -3.56 0.00 0.00 178.44 173.15 2feb n SER 43 N -2.36 0.49 -4.58 -3.49 3.41 -1.26 -4.65 113.62 101.18 2feb n SER 43 Ca -0.01 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.82 2feb n SER 43 Cb 0.22 1.32 -0.01 0.00 -0.26 0.00 0.00 64.21 65.49 2feb n SER 43 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2feb s SER 44 N -3.93 6.76 -0.78 4.04 0.01 0.22 -4.92 113.70 115.09 2feb s SER 44 Ca 0.00 -2.25 -0.20 0.00 1.31 0.00 0.00 55.95 54.81 2feb s SER 44 Cb 0.15 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.90 2feb s SER 44 CO 0.86 -1.26 1.01 -0.32 0.41 0.00 0.00 173.24 173.95 2feb s MET 45 N 4.40 3.34 0.18 12.44 1.75 -1.26 -4.60 119.30 135.55 2feb s MET 45 Ca 0.53 -1.36 0.00 0.00 -1.25 0.00 0.00 55.69 53.61 2feb s MET 45 Cb 0.03 -4.57 0.00 0.00 2.84 0.00 0.00 34.83 33.13 2feb s MET 45 CO 0.05 -1.76 0.00 2.41 -0.65 0.00 0.00 175.02 175.07 2feb n THR 46 N 5.65 0.00 -0.07 10.11 -1.04 -1.26 -4.95 114.28 122.72 2feb n THR 46 Ca 0.09 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.02 2feb n THR 46 Cb 0.47 -0.11 0.09 0.00 -1.82 0.00 0.00 70.33 68.96 2feb n THR 46 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2feb h PRO 47 N 0.00 0.73 -2.09 -2.82 0.13 -1.99 -3.46 132.00 122.50 2feb h PRO 47 Ca 0.00 -0.31 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2feb h PRO 47 Cb 0.00 -0.03 -0.20 0.00 0.13 0.00 0.00 31.00 30.90 2feb h PRO 47 CO 0.00 0.91 0.13 -3.38 -0.23 0.00 0.00 178.00 175.43 2feb s HIS 48 N -4.54 -0.66 -0.80 1.56 -3.43 -1.26 -4.91 115.29 101.25 2feb s HIS 48 Ca -0.09 1.32 -0.25 0.00 -0.80 0.00 0.00 55.06 55.24 2feb s HIS 48 Cb 0.13 0.34 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 2feb s HIS 48 CO 0.83 -0.51 1.79 -1.58 -2.00 0.00 0.00 174.74 173.27 2feb s TRP 49 N -0.66 1.89 0.73 0.38 0.52 -1.26 -4.75 118.94 115.79 2feb s TRP 49 Ca -0.07 0.43 -0.11 0.00 0.02 0.00 0.00 56.10 56.37 2feb s TRP 49 Cb -0.02 -4.20 0.17 0.00 -1.15 0.00 0.00 33.47 28.27 2feb s TRP 49 CO 0.07 -2.00 0.38 -2.39 0.02 0.00 0.00 176.95 173.03 2feb n HIS 50 N 12.47 -2.45 -0.65 -1.98 1.44 -1.26 -4.99 115.22 117.79 2feb n HIS 50 Ca 0.29 -0.25 -0.08 0.00 -2.01 0.00 0.00 57.72 55.67 2feb n HIS 50 Cb 0.49 -0.78 0.07 0.00 0.12 0.00 0.00 29.99 29.89 2feb n HIS 50 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2feb n ARG 51 N -2.63 -1.58 -1.53 -1.40 -4.01 -1.26 -4.74 116.66 99.51 2feb n ARG 51 Ca 0.06 -0.48 -0.20 0.00 -1.04 0.00 0.00 57.85 56.20 2feb n ARG 51 Cb 0.26 -0.44 -0.13 0.00 -3.04 0.00 0.00 32.46 29.11 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 -2.40 0.36 -0.82 2.89 3.00 -1.26 -4.86 116.66 113.56 2feb n ARG 52 Ca 0.04 -0.42 -0.34 0.00 -0.01 0.00 0.00 57.85 57.12 2feb n ARG 52 Cb 0.16 -2.57 0.11 0.00 0.00 0.00 0.00 32.46 30.16 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 7.46 0.00 -0.24 0.55 -5.35 -1.26 -4.58 119.36 115.95 2feb n ILE 53 Ca 0.55 -0.26 -0.09 0.00 -0.27 0.00 0.00 62.75 62.68 2feb n ILE 53 Cb 0.31 -0.46 -0.02 0.00 -1.74 0.00 0.00 39.64 37.73 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 -0.72 0.00 0.00 6.28 -0.04 -1.26 -2.60 135.00 136.67 2feb n PRO 54 Ca 0.03 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 2feb n PRO 54 Cb 0.57 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 5.29 0.00 -0.01 1.53 0.00 -1.26 -4.92 117.00 117.62 2feb n LEU 55 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.89 2feb n LEU 55 Cb 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.38 2feb n LEU 55 CO 0.54 0.00 -0.68 1.88 0.00 0.00 0.00 177.39 179.13 2feb h TYR 56 N 0.00 0.39 -3.44 1.96 -1.99 -1.77 -3.47 116.97 108.64 2feb h TYR 56 Ca 0.00 -0.28 -0.51 0.00 2.00 0.00 0.00 58.73 59.94 2feb h TYR 56 Cb 0.00 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 2feb h TYR 56 CO 0.00 1.69 -0.03 1.52 -0.00 0.00 0.00 178.16 181.34 2feb s TYR 57 N -2.51 3.46 -0.58 4.88 1.13 -1.26 -4.95 117.35 117.53 2feb s TYR 57 Ca -0.23 0.85 -0.04 0.00 -1.41 0.00 0.00 57.07 56.24 2feb s TYR 57 Cb 0.06 -2.27 -0.05 0.00 -1.10 0.00 0.00 41.96 38.60 2feb s TYR 57 CO 0.73 0.09 1.86 -0.35 -2.51 0.00 0.00 175.55 175.37 2feb n PRO 58 N -0.90 1.47 -2.88 -3.49 -0.04 -1.26 -4.69 135.00 123.21 2feb n PRO 58 Ca 0.00 -1.09 -0.02 0.00 -0.04 0.00 0.00 63.50 62.35 2feb n PRO 58 Cb 0.54 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 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 4.09 -0.32 -0.14 3.54 3.02 -1.26 -4.69 115.26 119.50 2feb n ASN 59 Ca 0.31 -0.07 0.28 0.00 -0.03 0.00 0.00 54.58 55.07 2feb n ASN 59 Cb 0.16 -0.11 0.72 0.00 -0.61 0.00 0.00 39.78 39.94 2feb n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2feb h ALA 60 N 1.52 2.73 0.00 5.41 0.00 -2.02 -3.44 119.26 123.46 2feb h ALA 60 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2feb h ALA 60 Cb 0.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2feb h ALA 60 CO 0.03 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 178.60 2feb n GLY 61 N -1.67 0.95 3.71 0.00 0.00 -1.26 -5.09 105.19 101.83 2feb n GLY 61 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 3.75 -3.39 0.99 4.32 -1.26 -4.88 117.00 116.54 2feb n LEU 62 Ca 0.00 1.18 -0.39 0.00 -0.02 0.00 0.00 56.01 56.78 2feb n LEU 62 Cb 0.00 -1.51 -0.01 0.00 -1.62 0.00 0.00 43.42 40.28 2feb n LEU 62 CO 0.00 -0.27 2.46 0.35 -1.22 0.00 0.00 177.39 178.71 2feb n THR 63 N 1.20 5.02 0.00 -5.08 -2.24 -1.26 -4.95 114.28 106.97 2feb n THR 63 Ca 0.07 -4.03 0.00 0.00 -2.27 0.00 0.00 64.05 57.82 2feb n THR 63 Cb 0.35 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 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 1.87 0.00 -1.82 -0.78 1.74 -1.26 -1.09 116.66 115.32 2feb n ARG 64 Ca 0.63 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.46 2feb n ARG 64 Cb 0.27 0.00 0.04 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 6.86 5.49 -4.43 0.55 6.94 -1.26 -2.51 115.26 126.90 2feb n ASN 65 Ca 0.00 -3.76 -0.44 0.00 -0.02 0.00 0.00 54.58 50.36 2feb n ASN 65 Cb 0.00 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 36.90 2feb n ASN 65 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2feb s TYR 66 N -3.64 3.06 -0.41 -2.53 2.02 -0.25 -3.30 117.35 112.30 2feb s TYR 66 Ca 0.54 -1.21 -0.27 0.00 -0.37 0.00 0.00 57.07 55.76 2feb s TYR 66 Cb 0.43 -4.21 -0.13 0.00 -0.40 0.00 0.00 41.96 37.65 2feb s TYR 66 CO 0.03 -1.46 1.51 0.00 -1.57 0.00 0.00 175.55 174.06 2feb n ARG 68 N 5.14 0.18 -3.98 0.00 1.85 -1.26 -4.45 116.66 114.13 2feb n ARG 68 Ca 0.38 -0.88 -0.34 0.00 -1.00 0.00 0.00 57.85 56.01 2feb n ARG 68 Cb -0.02 0.80 -0.15 0.00 -1.05 0.00 0.00 32.46 32.05 2feb n ARG 68 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2feb s ASN 69 N -1.66 3.90 0.42 2.89 2.47 -1.26 -2.87 114.94 118.83 2feb s ASN 69 Ca 0.10 -0.48 0.21 0.00 0.42 0.00 0.00 52.86 53.11 2feb s ASN 69 Cb 0.00 -1.65 0.90 0.00 -1.45 0.00 0.00 41.25 39.05 2feb s ASN 69 CO 0.07 -0.01 1.84 1.55 -3.72 0.00 0.00 177.10 176.82 2feb h PRO 70 N 8.05 0.00 0.00 0.43 0.13 -1.98 -3.39 132.00 135.23 2feb h PRO 70 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2feb h PRO 70 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2feb h PRO 70 CO 0.62 0.29 0.00 -3.47 -0.23 0.00 0.00 178.00 175.21 2feb n ASP 71 N -3.61 0.00 -3.64 1.44 2.03 -1.26 -5.03 116.55 106.48 2feb n ASP 71 Ca -0.01 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2feb n ASP 71 Cb 0.42 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.75 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 -1.88 0.00 -1.67 0.00 -1.26 -4.80 121.76 110.15 2feb s ALA 72 Ca 0.00 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.27 2feb s ALA 72 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.74 2feb s ALA 72 CO 0.00 -0.37 0.00 -1.91 0.00 0.00 0.00 175.76 173.48 2feb n GLU 73 N 3.85 0.00 0.00 0.00 4.07 -1.26 -5.07 120.64 122.22 2feb n GLU 73 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 2feb n GLU 73 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 2feb n GLU 73 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 2feb n ILE 74 N 0.00 0.00 -4.14 6.31 -5.35 -1.26 -4.31 119.36 110.61 2feb n ILE 74 Ca 0.00 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.20 2feb n ILE 74 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 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 2.60 0.99 6.28 3.03 -1.26 -2.60 118.95 127.99 2feb s ARG 75 Ca 0.00 -0.93 -0.11 0.00 2.03 0.00 0.00 55.73 56.72 2feb s ARG 75 Cb 0.00 -2.51 0.19 0.00 -1.03 0.00 0.00 34.95 31.59 2feb s ARG 75 CO 0.00 0.50 1.10 -1.25 -1.13 0.00 0.00 175.30 174.51 2feb s PRO 76 N -2.73 0.46 -0.15 3.89 0.04 -1.24 -4.96 135.00 130.30 2feb s PRO 76 Ca 0.28 1.20 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 2feb s PRO 76 Cb -0.10 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.80 2feb s PRO 76 CO 0.20 -2.90 0.06 1.67 0.04 0.00 0.00 177.00 176.07 2feb s TRP 77 N -2.63 0.47 0.42 0.56 1.48 -1.14 -3.55 118.94 114.55 2feb s TRP 77 Ca 0.67 -0.40 0.04 0.00 -1.06 0.00 0.00 56.10 55.35 2feb s TRP 77 Cb -0.23 -0.78 -0.02 0.00 -1.16 0.00 0.00 33.47 31.29 2feb s TRP 77 CO 0.60 -0.49 0.15 0.00 -4.06 0.00 0.00 176.95 173.15 2feb n TYR 79 N -0.94 -2.55 -4.34 0.00 4.02 -1.16 0.10 117.16 112.29 2feb n TYR 79 Ca -0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.66 2feb n TYR 79 Cb 0.64 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.86 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 0.33 0.89 -0.40 -0.72 -4.23 -0.52 -2.77 115.64 108.21 2feb s THR 80 Ca 0.00 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 2feb s THR 80 Cb 0.00 -2.49 0.52 0.00 1.34 0.00 0.00 72.50 71.86 2feb s THR 80 CO 0.00 -0.19 1.48 0.80 -0.54 0.00 0.00 174.62 176.18 2feb n MET 81 N -0.46 2.84 -4.76 3.99 1.56 -1.13 -4.60 117.12 114.56 2feb n MET 81 Ca -0.03 -2.11 -0.25 0.00 -0.27 0.00 0.00 57.70 55.04 2feb n MET 81 Cb 0.65 -1.93 -0.16 0.00 2.15 0.00 0.00 33.22 33.93 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 -0.55 1.99 -0.29 6.12 -1.08 -1.26 -4.96 116.67 116.63 2feb s ASP 82 Ca 0.38 -0.32 -0.07 0.00 -0.52 0.00 0.00 52.55 52.02 2feb s ASP 82 Cb 0.30 -0.51 -0.23 0.00 -1.46 0.00 0.00 42.92 41.02 2feb s ASP 82 CO 0.09 0.15 3.46 -0.81 0.52 0.00 0.00 175.17 178.58 2feb n PRO 83 N 3.11 2.28 -1.76 4.34 -0.04 -1.26 -3.59 135.00 138.07 2feb n PRO 83 Ca -0.18 -1.20 -0.05 0.00 -0.04 0.00 0.00 63.50 62.04 2feb n PRO 83 Cb 0.53 -2.14 0.02 0.00 -0.04 0.00 0.00 33.50 31.88 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 2.71 -1.20 0.08 3.54 7.64 -1.26 -5.00 113.62 120.13 2feb n SER 84 Ca 0.49 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 58.30 2feb n SER 84 Cb 0.78 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 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 -0.71 0.00 0.00 0.44 0.31 -1.24 -5.03 118.33 112.11 2feb n VAL 85 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2feb n VAL 85 Cb 0.78 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 -2.98 0.00 -3.54 5.55 1.74 -1.26 -4.89 116.66 111.28 2feb n ARG 86 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2feb n ARG 86 Cb 0.00 -0.33 -0.05 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.81 -0.54 0.12 -1.55 -0.11 -1.26 -4.61 118.94 110.19 2feb s TRP 87 Ca 0.00 0.89 -0.25 0.00 1.22 0.00 0.00 56.10 57.97 2feb s TRP 87 Cb 0.00 0.43 0.07 0.00 -1.50 0.00 0.00 33.47 32.48 2feb s TRP 87 CO 0.00 -0.51 0.72 -2.00 -4.62 0.00 0.00 176.95 170.54 2feb s GLU 88 N -1.28 1.19 0.21 5.86 2.12 0.29 -4.84 118.70 122.26 2feb s GLU 88 Ca -0.07 -0.49 -0.09 0.00 0.36 0.00 0.00 54.97 54.69 2feb s GLU 88 Cb -0.00 0.52 -0.07 0.00 0.26 0.00 0.00 34.13 34.84 2feb s GLU 88 CO 0.06 -0.53 0.51 0.71 -0.54 0.00 0.00 175.26 175.47 2feb s TYR 89 N -3.55 3.44 0.30 5.30 1.51 -1.26 -1.65 117.35 121.44 2feb s TYR 89 Ca 0.04 0.82 -0.11 0.00 -1.01 0.00 0.00 57.07 56.81 2feb s TYR 89 Cb -0.02 -2.21 -0.07 0.00 -0.11 0.00 0.00 41.96 39.55 2feb s TYR 89 CO -0.09 0.31 0.66 0.00 -1.11 0.00 0.00 175.55 175.32 2feb n ASN 91 N -0.53 -0.16 -3.15 0.00 2.04 0.21 -4.75 115.26 108.92 2feb n ASN 91 Ca 0.02 -0.95 0.04 0.00 -0.44 0.00 0.00 54.58 53.25 2feb n ASN 91 Cb 0.53 -0.99 -0.01 0.00 -2.53 0.00 0.00 39.78 36.78 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 6.01 -1.37 0.06 -4.53 1.02 -1.20 -4.47 118.68 114.21 2feb s LEU 92 Ca 1.15 0.84 -0.04 0.00 0.02 0.00 0.00 54.13 56.09 2feb s LEU 92 Cb -0.55 2.14 -0.02 0.00 0.02 0.00 0.00 46.19 47.78 2feb s LEU 92 CO 0.37 -0.26 0.06 0.42 0.02 0.00 0.00 176.35 176.96 2feb s THR 93 N 2.86 0.19 -0.18 5.49 -4.23 -0.20 -4.62 115.64 114.95 2feb s THR 93 Ca 0.20 -1.52 -0.29 0.00 -1.18 0.00 0.00 61.69 58.90 2feb s THR 93 Cb -0.15 -1.41 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 2feb s THR 93 CO -0.21 -0.84 2.00 -0.13 -0.54 0.00 0.00 174.62 174.90 2feb s ARG 94 N -3.80 3.50 0.08 3.99 0.52 -1.26 0.28 118.95 122.25 2feb s ARG 94 Ca 0.05 2.01 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 2feb s ARG 94 Cb 0.06 -4.24 -0.16 0.00 0.52 0.00 0.00 34.95 31.12 2feb s ARG 94 CO -0.10 -1.68 1.65 0.00 0.02 0.00 0.00 175.30 175.19 2feb n PRO 96 N -5.39 0.41 -0.32 0.00 -0.04 -1.26 -4.94 135.00 123.45 2feb n PRO 96 Ca -0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.39 2feb n PRO 96 Cb 0.29 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.73 2feb n PRO 96 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2feb n VAL 97 N -1.57 -0.19 -2.36 0.52 0.31 -1.26 -5.03 118.33 108.76 2feb n VAL 97 Ca 0.00 0.20 -0.02 0.00 -0.01 0.00 0.00 64.34 64.51 2feb n VAL 97 Cb 0.00 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 2feb n VAL 97 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2feb n THR 98 N -2.58 -6.83 -3.65 2.52 -1.04 -1.26 -5.08 114.28 96.36 2feb n THR 98 Ca -0.02 0.17 -0.03 0.00 -2.04 0.00 0.00 64.05 62.13 2feb n THR 98 Cb 0.15 -5.71 -0.07 0.00 -1.82 0.00 0.00 70.33 62.88 2feb n THR 98 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2feb s GLU 99 N -2.51 0.20 -0.50 -2.82 4.04 -1.26 -5.05 118.70 110.80 2feb s GLU 99 Ca 0.07 0.28 0.02 0.00 0.04 0.00 0.00 54.97 55.38 2feb s GLU 99 Cb -0.02 0.08 0.45 0.00 0.02 0.00 0.00 34.13 34.66 2feb s GLU 99 CO 0.44 -0.03 1.60 0.43 -1.84 0.00 0.00 175.26 175.87 2feb n SER 100 N 2.37 6.27 -3.93 0.83 7.64 -1.26 -4.91 113.62 120.63 2feb n SER 100 Ca -0.14 -3.77 -0.31 0.00 1.01 0.00 0.00 58.87 55.67 2feb n SER 100 Cb 0.57 -0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 62.95 2feb n SER 100 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2feb s SER 101 N -2.68 4.49 0.00 6.43 0.01 -1.26 -5.34 113.70 115.35 2feb s SER 101 Ca 0.57 -1.93 0.24 0.00 1.31 0.00 0.00 55.95 56.13 2feb s SER 101 Cb 0.45 -1.37 0.19 0.00 0.21 0.00 0.00 66.02 65.50 2feb s SER 101 CO -0.03 -0.38 1.25 0.55 0.41 0.00 0.00 173.24 175.04