#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edt h SER 2 N 0.00 -0.15 -7.09 1.61 0.87 -2.08 -3.47 113.55 103.24 2edt h SER 2 Ca 0.00 -0.14 -0.61 0.00 -1.23 0.00 0.00 61.79 59.81 2edt h SER 2 Cb 0.00 0.04 -0.30 0.00 -0.44 0.00 0.00 62.40 61.70 2edt h SER 2 CO 0.00 0.38 -0.92 -1.54 -0.53 0.00 0.00 176.83 174.22 2edt n SER 3 N -4.88 -0.99 -4.82 6.23 3.41 -1.26 -4.91 113.62 106.39 2edt n SER 3 Ca -0.04 -1.23 -0.31 0.00 -0.26 0.00 0.00 58.87 57.03 2edt n SER 3 Cb 0.14 -1.77 -0.05 0.00 -0.26 0.00 0.00 64.21 62.27 2edt n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2edt s GLY 4 N -3.68 2.87 -0.25 5.00 0.00 -1.26 -5.08 107.32 104.91 2edt s GLY 4 Ca 0.52 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.63 2edt s GLY 4 CO 1.00 -2.13 -0.16 -1.26 0.00 0.00 0.00 173.10 170.55 2edt n SER 5 N -1.46 1.95 -4.76 1.64 2.88 -1.26 -4.95 113.62 107.66 2edt n SER 5 Ca -0.15 0.30 -0.41 0.00 -1.33 0.00 0.00 58.87 57.28 2edt n SER 5 Cb 0.66 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 63.28 2edt n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2edt s SER 6 N -7.21 6.82 0.03 -3.46 0.15 -1.26 -5.03 113.70 103.75 2edt s SER 6 Ca -0.35 2.60 0.08 0.00 0.70 0.00 0.00 55.95 58.98 2edt s SER 6 Cb 0.12 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2edt s SER 6 CO 0.54 -0.52 -0.24 -0.83 1.20 0.00 0.00 173.24 173.39 2edt s GLY 7 N -0.25 1.43 1.04 9.45 0.00 -1.26 -5.11 107.32 112.62 2edt s GLY 7 Ca 0.51 -1.22 -0.13 0.00 0.00 0.00 0.00 44.72 43.88 2edt s GLY 7 CO 0.48 -1.09 1.10 2.56 0.00 0.00 0.00 173.10 176.14 2edt s PRO 8 N -1.18 0.07 -0.37 2.90 0.04 -1.26 -4.98 135.00 130.22 2edt s PRO 8 Ca 0.12 0.40 -0.24 0.00 0.04 0.00 0.00 61.00 61.32 2edt s PRO 8 Cb -0.10 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2edt s PRO 8 CO 0.02 -2.95 0.81 0.00 0.04 0.00 0.00 177.00 174.93 2edt s ALA 9 N -2.97 3.42 -0.10 8.56 0.00 -1.26 -4.83 121.76 124.59 2edt s ALA 9 Ca 0.66 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.00 2edt s ALA 9 Cb -0.17 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2edt s ALA 9 CO 0.57 -1.53 -0.11 0.15 0.00 0.00 0.00 175.76 174.85 2edt s LYS 10 N 3.18 3.02 0.10 0.00 1.02 -1.26 -4.58 119.74 121.22 2edt s LYS 10 Ca 0.32 -0.63 -0.31 0.00 0.02 0.00 0.00 55.97 55.38 2edt s LYS 10 Cb -0.13 -2.59 -0.10 0.00 -0.52 0.00 0.00 37.83 34.49 2edt s LYS 10 CO 0.17 0.45 1.84 -0.06 -0.92 0.00 0.00 175.35 176.83 2edt s PHE 11 N -0.24 1.99 -0.18 3.18 0.40 -1.26 -0.65 117.98 121.22 2edt s PHE 11 Ca 0.02 -0.08 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 2edt s PHE 11 Cb -0.13 -4.17 -0.22 0.00 0.51 0.00 0.00 43.02 39.01 2edt s PHE 11 CO 0.03 -4.91 0.13 0.25 0.70 0.00 0.00 175.22 171.41 2edt n THR 12 N 4.91 1.66 -0.13 0.64 -2.24 -1.18 -4.66 114.28 113.27 2edt n THR 12 Ca 0.18 -0.57 -0.24 0.00 -2.27 0.00 0.00 64.05 61.15 2edt n THR 12 Cb 0.39 -1.66 -0.11 0.00 -2.10 0.00 0.00 70.33 66.85 2edt n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2edt n GLU 13 N -3.51 0.62 -0.20 -0.78 -0.58 -1.26 -5.05 120.64 109.87 2edt n GLU 13 Ca -0.38 0.20 0.03 0.00 -0.42 0.00 0.00 57.16 56.59 2edt n GLU 13 Cb 1.00 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 30.35 2edt n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2edt n GLY 14 N 1.79 -2.47 3.59 0.62 0.00 -1.26 -4.95 105.19 102.51 2edt n GLY 14 Ca -0.50 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 2edt n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edt s LEU 15 N -4.79 1.20 0.12 0.99 1.43 -1.26 -4.80 118.68 111.57 2edt s LEU 15 Ca 0.00 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.31 2edt s LEU 15 Cb 0.00 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.86 2edt s LEU 15 CO 0.00 -3.67 0.30 0.00 0.23 0.00 0.00 176.35 173.21 2edt s ARG 16 N -4.73 0.99 0.22 1.70 3.03 -1.26 -4.85 118.95 114.05 2edt s ARG 16 Ca 0.67 -0.87 -0.27 0.00 2.03 0.00 0.00 55.73 57.29 2edt s ARG 16 Cb -0.22 0.41 -0.09 0.00 -1.03 0.00 0.00 34.95 34.02 2edt s ARG 16 CO 0.61 -0.36 0.86 0.54 -1.13 0.00 0.00 175.30 175.82 2edt s ASN 17 N -2.85 7.47 0.25 -2.89 4.22 -1.26 -4.30 114.94 115.58 2edt s ASN 17 Ca 0.05 1.78 -0.07 0.00 -2.14 0.00 0.00 52.86 52.49 2edt s ASN 17 Cb 0.03 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 40.00 2edt s ASN 17 CO -0.10 0.14 0.36 -1.83 -2.04 0.00 0.00 177.10 173.62 2edt s GLU 18 N -1.35 1.49 0.29 3.55 1.03 -0.92 -4.96 118.70 117.84 2edt s GLU 18 Ca 0.40 -1.48 0.11 0.00 0.03 0.00 0.00 54.97 54.04 2edt s GLU 18 Cb -0.23 0.40 -0.05 0.00 -0.80 0.00 0.00 34.13 33.44 2edt s GLU 18 CO 0.28 -0.58 -0.14 -1.21 -1.33 0.00 0.00 175.26 172.27 2edt s GLU 19 N -3.90 1.83 0.26 -4.83 2.02 -1.26 -1.33 118.70 111.49 2edt s GLU 19 Ca 0.30 -1.72 -0.21 0.00 0.02 0.00 0.00 54.97 53.36 2edt s GLU 19 Cb 0.02 -1.84 0.05 0.00 0.10 0.00 0.00 34.13 32.46 2edt s GLU 19 CO 0.12 0.31 0.86 0.00 0.02 0.00 0.00 175.26 176.57 2edt s ALA 20 N -2.49 -1.28 0.09 5.21 0.00 0.18 -4.87 121.76 118.60 2edt s ALA 20 Ca 0.31 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.03 2edt s ALA 20 Cb -0.04 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 2edt s ALA 20 CO 0.16 -1.03 -0.14 0.08 0.00 0.00 0.00 175.76 174.83 2edt s VAL 21 N -3.00 3.07 0.21 0.00 1.01 -1.26 0.46 120.40 120.88 2edt s VAL 21 Ca 0.14 -1.32 -0.32 0.00 0.00 0.00 0.00 61.98 60.49 2edt s VAL 21 Cb -0.04 -2.39 -0.15 0.00 0.00 0.00 0.00 36.38 33.80 2edt s VAL 21 CO 0.07 0.17 1.26 -0.62 0.00 0.00 0.00 175.10 175.97 2edt n GLU 22 N 0.95 1.55 0.00 2.72 1.02 -0.44 -1.30 120.64 125.13 2edt n GLU 22 Ca -0.15 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 2edt n GLU 22 Cb 0.52 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 2edt n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2edt n GLY 23 N 2.04 2.04 3.08 0.62 0.00 -0.33 -4.69 105.19 107.95 2edt n GLY 23 Ca 0.13 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 2edt n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edt n ALA 24 N 0.00 -1.73 -3.83 4.61 0.00 -0.42 -2.76 120.51 116.39 2edt n ALA 24 Ca 0.00 -1.19 -0.34 0.00 0.00 0.00 0.00 53.44 51.91 2edt n ALA 24 Cb 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 2edt n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edt s THR 25 N -2.10 3.16 1.01 0.00 2.01 -1.26 -2.02 115.64 116.44 2edt s THR 25 Ca 0.43 -2.80 -0.21 0.00 0.31 0.00 0.00 61.69 59.42 2edt s THR 25 Cb -0.08 -3.14 -0.12 0.00 0.01 0.00 0.00 72.50 69.17 2edt s THR 25 CO 0.40 -0.79 -0.92 0.00 -0.69 0.00 0.00 174.62 172.62 2edt n ALA 26 N 3.71 -5.23 -3.52 7.40 0.00 -1.25 -4.73 120.51 116.89 2edt n ALA 26 Ca 0.05 -1.05 -0.20 0.00 0.00 0.00 0.00 53.44 52.23 2edt n ALA 26 Cb 0.38 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 2edt n ALA 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2edt s MET 27 N -2.32 0.16 -0.08 0.00 1.75 -1.26 -3.90 119.30 113.65 2edt s MET 27 Ca 0.42 0.15 0.03 0.00 -1.25 0.00 0.00 55.69 55.03 2edt s MET 27 Cb -0.05 -1.33 0.01 0.00 2.84 0.00 0.00 34.83 36.30 2edt s MET 27 CO 0.72 -0.65 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.77 2edt s LEU 28 N 2.29 1.79 0.18 4.11 1.43 -1.04 -4.99 118.68 122.45 2edt s LEU 28 Ca 0.06 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2edt s LEU 28 Cb -0.16 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 2edt s LEU 28 CO -0.11 0.07 -0.00 -1.66 0.23 0.00 0.00 176.35 174.88 2edt s TRP 29 N 0.62 1.25 -0.20 0.29 1.48 -1.26 -0.16 118.94 120.96 2edt s TRP 29 Ca -0.15 -1.00 -0.27 0.00 -1.06 0.00 0.00 56.10 53.62 2edt s TRP 29 Cb -0.16 -0.71 0.10 0.00 -1.16 0.00 0.00 33.47 31.53 2edt s TRP 29 CO 0.04 -0.19 0.86 0.00 -4.06 0.00 0.00 176.95 173.60 2edt s GLU 31 N -0.33 3.23 0.02 0.00 2.02 -1.26 -0.64 118.70 121.74 2edt s GLU 31 Ca -0.02 -0.92 -0.05 0.00 0.02 0.00 0.00 54.97 54.00 2edt s GLU 31 Cb -0.03 -2.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 2edt s GLU 31 CO 0.01 0.24 0.08 -0.51 0.02 0.00 0.00 175.26 175.10 2edt s LEU 32 N -4.07 1.82 0.48 1.80 1.43 -0.42 -3.12 118.68 116.60 2edt s LEU 32 Ca 0.39 -0.39 0.33 0.00 -1.03 0.00 0.00 54.13 53.43 2edt s LEU 32 Cb -0.09 0.50 1.44 0.00 0.03 0.00 0.00 46.19 48.07 2edt s LEU 32 CO 0.30 -0.40 1.69 -1.28 0.23 0.00 0.00 176.35 176.89 2edt h SER 33 N 4.16 0.18 -5.10 2.29 0.87 -1.20 -3.42 113.55 111.33 2edt h SER 33 Ca -0.32 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 2edt h SER 33 Cb 1.19 0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 63.08 2edt h SER 33 CO 0.44 -0.05 -0.06 -1.59 -0.53 0.00 0.00 176.83 175.04 2edt s LYS 34 N -5.17 1.20 -0.28 2.24 -2.85 -1.26 -4.96 119.74 108.65 2edt s LYS 34 Ca -0.07 -0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 53.80 2edt s LYS 34 Cb 0.27 0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 36.49 2edt s LYS 34 CO 0.83 -0.48 1.80 0.08 0.10 0.00 0.00 175.35 177.67 2edt s VAL 35 N -3.85 3.47 0.06 1.79 1.01 -1.26 -4.71 120.40 116.91 2edt s VAL 35 Ca 0.07 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2edt s VAL 35 Cb 0.01 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2edt s VAL 35 CO -0.07 -0.33 0.06 0.00 0.00 0.00 0.00 175.10 174.76 2edt s ALA 36 N 6.48 0.20 -0.22 5.51 0.00 -1.26 -4.98 121.76 127.49 2edt s ALA 36 Ca 0.80 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 2edt s ALA 36 Cb -0.25 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2edt s ALA 36 CO 0.33 -0.41 1.61 -1.25 0.00 0.00 0.00 175.76 176.04 2edt s PRO 37 N -3.75 3.82 0.24 0.00 0.04 -1.26 -5.01 135.00 129.07 2edt s PRO 37 Ca 0.05 1.67 0.05 0.00 0.04 0.00 0.00 61.00 62.81 2edt s PRO 37 Cb 0.06 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 2edt s PRO 37 CO -0.10 -1.27 0.35 0.14 0.04 0.00 0.00 177.00 176.17 2edt s VAL 38 N 5.12 5.22 -0.26 -0.36 -7.23 -1.26 -4.68 120.40 116.94 2edt s VAL 38 Ca 0.71 -1.00 -0.02 0.00 -1.81 0.00 0.00 61.98 59.86 2edt s VAL 38 Cb -0.25 -3.83 0.08 0.00 0.56 0.00 0.00 36.38 32.94 2edt s VAL 38 CO 0.29 -0.32 0.07 -1.61 -0.31 0.00 0.00 175.10 173.22 2edt s GLU 39 N -3.95 0.67 0.29 4.82 0.41 0.80 -4.98 118.70 116.77 2edt s GLU 39 Ca 0.34 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 53.83 2edt s GLU 39 Cb -0.09 -1.96 -0.09 0.00 -1.78 0.00 0.00 34.13 30.20 2edt s GLU 39 CO 0.29 -0.85 1.10 -1.58 -0.49 0.00 0.00 175.26 173.72 2edt s TRP 40 N 1.75 3.55 0.16 1.61 0.52 -1.26 -2.04 118.94 123.22 2edt s TRP 40 Ca 0.05 1.69 -0.05 0.00 0.02 0.00 0.00 56.10 57.82 2edt s TRP 40 Cb -0.17 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 28.85 2edt s TRP 40 CO -0.20 -0.57 0.18 1.03 0.02 0.00 0.00 176.95 177.42 2edt s ARG 41 N -1.54 1.08 -0.47 4.98 0.52 0.88 -2.37 118.95 122.03 2edt s ARG 41 Ca 0.46 -1.34 0.03 0.00 -0.52 0.00 0.00 55.73 54.36 2edt s ARG 41 Cb -0.31 0.31 0.16 0.00 0.52 0.00 0.00 34.95 35.63 2edt s ARG 41 CO 0.40 -0.36 0.34 0.21 0.02 0.00 0.00 175.30 175.91 2edt s LYS 42 N -4.02 1.24 4.79 3.54 2.20 -1.20 -0.32 119.74 125.97 2edt s LYS 42 Ca 0.23 -2.24 0.00 0.00 -0.36 0.00 0.00 55.97 53.60 2edt s LYS 42 Cb 0.05 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 2edt s LYS 42 CO 0.02 -1.31 0.00 0.41 -0.36 0.00 0.00 175.35 174.12 2edt n GLY 43 N 2.94 3.13 0.25 5.54 0.00 -1.22 -0.10 105.19 115.73 2edt n GLY 43 Ca 0.22 0.28 0.16 0.00 0.00 0.00 0.00 46.02 46.68 2edt n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edt h PRO 44 N 0.00 0.00 0.00 1.61 0.13 -1.98 -3.44 132.00 128.32 2edt h PRO 44 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 2edt h PRO 44 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2edt h PRO 44 CO 0.00 0.00 0.14 0.39 -0.23 0.00 0.00 178.00 178.30 2edt n GLU 45 N -2.91 -0.18 -3.75 0.86 4.71 0.85 -5.12 120.64 115.10 2edt n GLU 45 Ca 0.01 -2.53 -0.13 0.00 -0.01 0.00 0.00 57.16 54.50 2edt n GLU 45 Cb 0.28 -0.69 -0.14 0.00 -1.01 0.00 0.00 31.44 29.88 2edt n GLU 45 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2edt s ASN 46 N -4.94 -0.15 0.43 1.62 2.20 -1.26 -3.25 114.94 109.59 2edt s ASN 46 Ca 0.64 0.36 0.08 0.00 -0.94 0.00 0.00 52.86 52.99 2edt s ASN 46 Cb -0.03 0.25 -0.01 0.00 -2.00 0.00 0.00 41.25 39.46 2edt s ASN 46 CO 0.43 -0.15 0.43 -0.76 -2.94 0.00 0.00 177.10 174.11 2edt s LEU 47 N 1.14 3.40 -0.24 3.54 1.43 -1.00 -4.88 118.68 122.06 2edt s LEU 47 Ca -0.09 -0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 52.01 2edt s LEU 47 Cb -0.11 -2.11 0.16 0.00 0.03 0.00 0.00 46.19 44.17 2edt s LEU 47 CO -0.06 -0.72 1.21 0.00 0.23 0.00 0.00 176.35 177.00 2edt s ARG 48 N -4.20 0.29 -0.26 1.70 1.70 -1.26 -4.58 118.95 112.35 2edt s ARG 48 Ca 0.49 0.11 -0.29 0.00 -0.47 0.00 0.00 55.73 55.58 2edt s ARG 48 Cb -0.04 0.14 -0.06 0.00 -0.57 0.00 0.00 34.95 34.41 2edt s ARG 48 CO 0.29 -0.08 2.24 -0.40 -1.08 0.00 0.00 175.30 176.26 2edt n ASP 49 N 0.84 3.04 0.00 -2.89 5.75 -1.26 -4.63 116.55 117.40 2edt n ASP 49 Ca -0.06 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 2edt n ASP 49 Cb 0.58 -1.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 2edt n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2edt n GLY 50 N 5.90 4.20 0.05 6.12 0.00 0.05 -4.95 105.19 116.56 2edt n GLY 50 Ca 0.32 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 2edt n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2edt h ASP 51 N 0.00 0.00 0.00 1.61 3.32 -2.01 -3.35 116.42 115.99 2edt h ASP 51 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2edt h ASP 51 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2edt h ASP 51 CO 0.00 0.50 0.01 0.08 -1.72 0.00 0.00 179.24 178.11 2edt h ARG 52 N -0.79 0.00 -3.62 3.56 0.11 -1.93 -3.36 114.38 108.35 2edt h ARG 52 Ca 0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 2edt h ARG 52 Cb 0.20 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 30.88 2edt h ARG 52 CO 0.00 0.00 -0.76 0.71 0.10 0.00 0.00 179.97 180.02 2edt s TYR 53 N -3.73 1.34 -0.73 4.08 2.02 -1.26 -2.83 117.35 116.25 2edt s TYR 53 Ca -0.03 -1.19 -0.24 0.00 -0.37 0.00 0.00 57.07 55.24 2edt s TYR 53 Cb 0.08 -1.26 0.06 0.00 -0.40 0.00 0.00 41.96 40.44 2edt s TYR 53 CO 0.26 -0.71 1.11 0.42 -1.57 0.00 0.00 175.55 175.06 2edt s ILE 54 N 1.75 4.12 -0.04 2.71 1.01 -0.31 -0.77 121.20 129.67 2edt s ILE 54 Ca 0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 2edt s ILE 54 Cb -0.17 -4.79 -0.05 0.00 0.01 0.00 0.00 42.46 37.46 2edt s ILE 54 CO -0.13 -1.63 0.25 -0.76 0.00 0.00 0.00 174.94 172.68 2edt s LEU 55 N 4.59 4.40 0.02 2.97 2.01 -1.26 -1.10 118.68 130.31 2edt s LEU 55 Ca 0.28 0.61 -0.03 0.00 0.01 0.00 0.00 54.13 55.01 2edt s LEU 55 Cb -0.12 -2.45 -0.02 0.00 0.01 0.00 0.00 46.19 43.61 2edt s LEU 55 CO 0.09 0.32 0.03 -0.13 1.01 0.00 0.00 176.35 177.68 2edt s ARG 56 N -1.38 0.44 -0.24 1.70 0.52 0.21 -4.96 118.95 115.23 2edt s ARG 56 Ca 0.22 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 2edt s ARG 56 Cb -0.13 0.17 0.12 0.00 0.52 0.00 0.00 34.95 35.62 2edt s ARG 56 CO 0.11 -0.09 0.31 -1.14 0.02 0.00 0.00 175.30 174.51 2edt s GLN 57 N -1.96 0.30 -0.45 3.54 0.74 -1.26 -1.04 119.66 119.52 2edt s GLN 57 Ca -0.11 0.25 0.04 0.00 0.05 0.00 0.00 55.36 55.59 2edt s GLN 57 Cb -0.06 -0.75 0.66 0.00 1.10 0.00 0.00 33.01 33.96 2edt s GLN 57 CO -0.02 -0.76 1.91 0.39 -0.55 0.00 0.00 175.29 176.26 2edt n GLU 58 N 5.34 2.24 0.00 1.67 -0.58 -1.14 -5.01 120.64 123.16 2edt n GLU 58 Ca -0.04 -2.98 0.00 0.00 -0.42 0.00 0.00 57.16 53.72 2edt n GLU 58 Cb 0.49 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 2edt n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2edt n GLY 59 N -1.12 0.20 0.27 0.62 0.00 -1.26 -4.71 105.19 99.19 2edt n GLY 59 Ca 0.59 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 45.25 2edt n GLY 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2edt h THR 60 N 0.00 0.57 -3.00 2.61 1.35 -1.86 -3.42 112.91 109.15 2edt h THR 60 Ca 0.00 -0.45 -0.62 0.00 -0.55 0.00 0.00 66.41 64.80 2edt h THR 60 Cb 0.00 1.29 -0.07 0.00 -1.73 0.00 0.00 68.15 67.63 2edt h THR 60 CO 0.00 0.10 -0.32 -0.60 -0.25 0.00 0.00 175.52 174.45 2edt s ARG 61 N -4.28 3.90 0.50 4.72 3.52 -1.26 -1.31 118.95 124.75 2edt s ARG 61 Ca -0.03 0.15 0.05 0.00 -0.13 0.00 0.00 55.73 55.77 2edt s ARG 61 Cb 0.13 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 2edt s ARG 61 CO 0.58 0.56 0.30 0.00 -0.81 0.00 0.00 175.30 175.93 2edt s GLU 63 N -4.13 0.65 -0.10 0.00 2.02 -0.21 -3.32 118.70 113.62 2edt s GLU 63 Ca 0.33 1.27 0.04 0.00 0.02 0.00 0.00 54.97 56.63 2edt s GLU 63 Cb -0.00 0.34 -0.00 0.00 0.10 0.00 0.00 34.13 34.57 2edt s GLU 63 CO 0.20 -0.17 -0.24 -1.17 0.02 0.00 0.00 175.26 173.90 2edt s LEU 64 N 2.00 2.08 -0.11 1.80 2.96 0.77 -0.62 118.68 127.56 2edt s LEU 64 Ca -0.09 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2edt s LEU 64 Cb -0.07 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.22 2edt s LEU 64 CO -0.19 0.16 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.68 2edt s GLN 65 N 0.32 3.07 -0.61 1.98 -0.21 -0.25 -2.50 119.66 121.45 2edt s GLN 65 Ca -0.18 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 54.27 2edt s GLN 65 Cb -0.18 -2.37 0.16 0.00 1.00 0.00 0.00 33.01 31.62 2edt s GLN 65 CO 0.09 0.13 0.47 0.42 -2.12 0.00 0.00 175.29 174.28 2edt s ILE 66 N 0.47 4.22 -0.04 1.08 1.01 -1.25 -1.17 121.20 125.53 2edt s ILE 66 Ca -0.15 -2.48 -0.30 0.00 0.00 0.00 0.00 60.65 57.72 2edt s ILE 66 Cb -0.17 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 2edt s ILE 66 CO 0.06 -0.87 1.66 0.00 0.00 0.00 0.00 174.94 175.79 2edt n GLY 68 N 4.13 -0.03 3.79 0.00 0.00 -1.22 -4.93 105.19 106.94 2edt n GLY 68 Ca 0.17 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2edt n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edt s LEU 69 N -1.06 2.48 -0.16 0.99 1.43 -0.86 -4.78 118.68 116.72 2edt s LEU 69 Ca 0.00 1.27 -0.31 0.00 -1.03 0.00 0.00 54.13 54.06 2edt s LEU 69 Cb 0.00 -3.82 0.14 0.00 0.03 0.00 0.00 46.19 42.54 2edt s LEU 69 CO 0.00 -2.11 1.09 0.00 0.23 0.00 0.00 176.35 175.56 2edt s ALA 70 N -3.16 -1.98 0.29 4.21 0.00 -1.26 -1.18 121.76 118.68 2edt s ALA 70 Ca 0.61 1.55 0.16 0.00 0.00 0.00 0.00 51.96 54.29 2edt s ALA 70 Cb -0.15 -0.55 1.04 0.00 0.00 0.00 0.00 23.12 23.47 2edt s ALA 70 CO 0.54 -0.42 1.23 -1.33 0.00 0.00 0.00 175.76 175.79 2edt n MET 71 N 0.36 -0.05 -0.01 0.00 2.81 -1.26 0.18 117.12 119.15 2edt n MET 71 Ca -0.06 1.08 -0.11 0.00 -1.81 0.00 0.00 57.70 56.80 2edt n MET 71 Cb 0.59 -1.93 -0.05 0.00 -0.71 0.00 0.00 33.22 31.12 2edt n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2edt h ALA 72 N 1.56 0.16 -1.02 3.04 0.00 -2.01 -2.50 119.26 118.49 2edt h ALA 72 Ca 0.66 -0.01 0.32 0.00 0.00 0.00 0.00 54.91 55.88 2edt h ALA 72 Cb 1.74 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.33 2edt h ALA 72 CO -0.60 -0.35 0.59 -0.44 0.00 0.00 0.00 179.25 178.45 2edt h ASP 73 N 0.17 0.51 -1.96 0.00 5.19 0.15 -3.37 116.42 117.11 2edt h ASP 73 Ca 0.05 0.18 -0.56 0.00 -0.62 0.00 0.00 57.03 56.07 2edt h ASP 73 Cb -0.01 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 2edt h ASP 73 CO -0.01 -0.11 1.51 0.00 -3.12 0.00 0.00 179.24 177.50 2edt s ALA 74 N -5.64 2.50 0.00 3.45 0.00 -0.94 -4.62 121.76 116.51 2edt s ALA 74 Ca -0.10 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2edt s ALA 74 Cb 0.30 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2edt s ALA 74 CO 0.79 -3.14 0.00 0.41 0.00 0.00 0.00 175.76 173.82 2edt n GLY 75 N 5.80 0.28 2.97 0.00 0.00 -1.22 -4.98 105.19 108.04 2edt n GLY 75 Ca 0.31 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.68 2edt n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2edt s GLU 76 N 2.23 0.13 -0.15 1.61 2.12 -1.26 -3.24 118.70 120.14 2edt s GLU 76 Ca 0.00 0.71 -0.04 0.00 0.36 0.00 0.00 54.97 56.00 2edt s GLU 76 Cb 0.00 -0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.27 2edt s GLU 76 CO 0.00 -0.29 -0.02 0.71 -0.54 0.00 0.00 175.26 175.11 2edt s TYR 77 N 2.40 3.06 -0.03 5.30 1.51 -1.13 -3.39 117.35 125.07 2edt s TYR 77 Ca 0.02 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2edt s TYR 77 Cb -0.12 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2edt s TYR 77 CO -0.08 0.03 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.80 2edt s LEU 78 N 0.25 3.12 -0.30 -1.29 1.02 0.57 -1.34 118.68 120.70 2edt s LEU 78 Ca -0.02 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.06 2edt s LEU 78 Cb -0.14 -1.73 0.08 0.00 0.02 0.00 0.00 46.19 44.42 2edt s LEU 78 CO 0.02 0.32 -0.02 0.00 0.02 0.00 0.00 176.35 176.70 2edt s VAL 80 N 1.07 4.80 -0.03 0.00 1.01 -0.86 -2.50 120.40 123.87 2edt s VAL 80 Ca 0.02 0.94 0.01 0.00 0.00 0.00 0.00 61.98 62.95 2edt s VAL 80 Cb -0.19 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2edt s VAL 80 CO -0.08 0.27 -0.02 0.00 0.00 0.00 0.00 175.10 175.28 2edt n GLY 82 N 3.19 -1.63 0.09 0.00 0.00 -1.26 -4.62 105.19 100.96 2edt n GLY 82 Ca -0.06 0.56 0.08 0.00 0.00 0.00 0.00 46.02 46.61 2edt n GLY 82 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2edt n GLN 83 N 0.00 0.62 -4.57 1.61 3.00 -1.26 -4.96 117.38 111.81 2edt n GLN 83 Ca 0.00 0.09 -0.27 0.00 -0.01 0.00 0.00 57.00 56.80 2edt n GLN 83 Cb 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 30.24 28.40 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2edt s GLU 84 N -3.27 1.99 -0.11 -1.09 0.41 -1.26 -5.16 118.70 110.20 2edt s GLU 84 Ca -0.03 -2.22 -0.30 0.00 -0.41 0.00 0.00 54.97 52.01 2edt s GLU 84 Cb 0.10 -0.86 0.10 0.00 -1.78 0.00 0.00 34.13 31.70 2edt s GLU 84 CO 0.82 -0.43 0.86 -0.98 -0.49 0.00 0.00 175.26 175.03 2edt s ARG 85 N -3.75 0.79 0.25 1.61 1.70 -1.26 -2.81 118.95 115.47 2edt s ARG 85 Ca 0.20 0.19 0.05 0.00 -0.47 0.00 0.00 55.73 55.70 2edt s ARG 85 Cb 0.03 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 2edt s ARG 85 CO 0.12 -0.25 -0.03 -0.08 -1.08 0.00 0.00 175.30 173.98 2edt s THR 86 N -1.16 1.28 0.09 4.99 -1.32 -1.04 -4.98 115.64 113.50 2edt s THR 86 Ca -0.06 -2.07 -0.01 0.00 -1.21 0.00 0.00 61.69 58.34 2edt s THR 86 Cb -0.00 -2.38 -0.04 0.00 -1.51 0.00 0.00 72.50 68.57 2edt s THR 86 CO 0.05 -0.32 0.02 -0.94 -2.21 0.00 0.00 174.62 171.23 2edt s SER 87 N -3.36 0.38 0.32 8.08 1.04 -1.26 -0.37 113.70 118.53 2edt s SER 87 Ca 0.29 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 55.61 2edt s SER 87 Cb 0.05 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2edt s SER 87 CO 0.10 -0.67 0.43 0.00 0.98 0.00 0.00 173.24 174.07 2edt n ALA 88 N -0.00 -0.23 -3.85 5.32 0.00 -0.45 -4.56 120.51 116.74 2edt n ALA 88 Ca -0.10 -1.49 -0.26 0.00 0.00 0.00 0.00 53.44 51.59 2edt n ALA 88 Cb 0.62 1.21 -0.17 0.00 0.00 0.00 0.00 19.45 21.11 2edt n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edt s THR 89 N -2.81 0.88 0.07 0.00 2.01 -1.26 -2.82 115.64 111.70 2edt s THR 89 Ca 0.27 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2edt s THR 89 Cb -0.01 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 2edt s THR 89 CO 0.19 0.34 0.14 -0.22 -0.69 0.00 0.00 174.62 174.39 2edt s LEU 90 N 1.69 4.08 -0.07 4.42 2.96 -1.20 -2.17 118.68 128.38 2edt s LEU 90 Ca 0.04 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 2edt s LEU 90 Cb -0.13 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.87 2edt s LEU 90 CO -0.07 0.18 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.10 2edt s THR 91 N -1.44 1.37 -0.03 3.68 2.01 -0.44 -3.42 115.64 117.38 2edt s THR 91 Ca 0.32 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2edt s THR 91 Cb -0.13 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2edt s THR 91 CO 0.24 0.41 0.06 -0.63 -0.69 0.00 0.00 174.62 174.01 2edt s ILE 92 N 0.59 4.61 -0.29 1.82 -1.09 -1.26 0.47 121.20 126.06 2edt s ILE 92 Ca -0.15 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2edt s ILE 92 Cb -0.16 -3.06 0.06 0.00 -1.58 0.00 0.00 42.46 37.71 2edt s ILE 92 CO 0.05 0.42 -0.04 -0.13 -1.23 0.00 0.00 174.94 174.01 2edt s ARG 93 N -1.50 2.30 -0.05 2.79 1.81 0.17 -4.90 118.95 119.58 2edt s ARG 93 Ca 0.20 -1.34 -0.39 0.00 -1.72 0.00 0.00 55.73 52.47 2edt s ARG 93 Cb -0.12 -3.07 -0.18 0.00 -0.45 0.00 0.00 34.95 31.13 2edt s ARG 93 CO 0.10 -0.62 1.32 0.00 -0.68 0.00 0.00 175.30 175.42 2edt n ALA 94 N 4.52 -1.88 -1.46 2.13 0.00 -1.26 -1.33 120.51 121.23 2edt n ALA 94 Ca -0.12 0.53 -0.36 0.00 0.00 0.00 0.00 53.44 53.49 2edt n ALA 94 Cb 0.43 -1.97 0.09 0.00 0.00 0.00 0.00 19.45 18.01 2edt n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2edt n LEU 95 N 2.64 5.25 -4.62 0.00 4.77 -1.26 -4.83 117.00 118.95 2edt n LEU 95 Ca 0.21 0.72 -0.30 0.00 -0.03 0.00 0.00 56.01 56.62 2edt n LEU 95 Cb 0.12 -1.53 0.22 0.00 -2.33 0.00 0.00 43.42 39.90 2edt n LEU 95 CO 0.67 -1.34 0.63 -2.16 -1.33 0.00 0.00 177.39 173.85 2edt s PRO 96 N -3.66 -0.73 0.30 3.23 0.04 -1.26 -5.07 135.00 127.84 2edt s PRO 96 Ca 0.79 0.11 0.08 0.00 0.04 0.00 0.00 61.00 62.01 2edt s PRO 96 Cb -0.34 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2edt s PRO 96 CO 0.45 -3.42 0.21 -1.12 0.04 0.00 0.00 177.00 173.16 2edt s SER 97 N -3.75 5.24 -0.46 6.66 0.01 -1.26 -5.10 113.70 115.04 2edt s SER 97 Ca 0.69 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.56 2edt s SER 97 Cb -0.13 -1.10 0.19 0.00 0.21 0.00 0.00 66.02 65.19 2edt s SER 97 CO 0.57 -0.19 0.75 -0.83 0.41 0.00 0.00 173.24 173.95 2edt s GLY 98 N -3.89 -1.34 -0.44 3.44 0.00 -1.26 -5.11 107.32 98.72 2edt s GLY 98 Ca 0.36 -0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.77 2edt s GLY 98 CO 0.25 3.76 1.75 2.56 0.00 0.00 0.00 173.10 181.42 2edt s PRO 99 N 1.23 3.15 0.36 2.90 0.04 -1.26 -4.99 135.00 136.43 2edt s PRO 99 Ca 0.24 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 2edt s PRO 99 Cb 0.00 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 2edt s PRO 99 CO -0.07 -2.09 0.61 -1.12 0.04 0.00 0.00 177.00 174.38 2edt s SER 100 N 6.36 6.34 0.27 6.66 0.01 -1.26 -5.06 113.70 127.02 2edt s SER 100 Ca 0.72 0.67 -0.29 0.00 1.31 0.00 0.00 55.95 58.36 2edt s SER 100 Cb -0.18 -2.13 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 2edt s SER 100 CO 0.29 -0.34 1.14 -0.94 0.41 0.00 0.00 173.24 173.81 2edt s SER 101 N -3.74 7.18 0.00 2.44 1.04 -1.26 -5.36 113.70 113.99 2edt s SER 101 Ca 0.43 2.31 0.00 0.00 0.48 0.00 0.00 55.95 59.17 2edt s SER 101 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2edt s SER 101 CO 0.36 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.96