#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edt n SER 2 N 0.00 -5.12 -4.63 1.61 7.64 -1.26 -5.01 113.62 106.86 2edt n SER 2 Ca 0.00 -0.48 -0.27 0.00 1.01 0.00 0.00 58.87 59.14 2edt n SER 2 Cb 0.00 -4.41 0.11 0.00 -1.01 0.00 0.00 64.21 58.90 2edt n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2edt s SER 3 N -3.43 4.17 0.00 6.43 0.01 -1.26 -4.33 113.70 115.29 2edt s SER 3 Ca 0.42 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2edt s SER 3 Cb -0.18 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2edt s SER 3 CO 0.63 -2.02 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2edt n GLY 4 N -3.18 1.93 0.34 3.44 0.00 -1.26 -4.78 105.19 101.68 2edt n GLY 4 Ca 0.12 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2edt n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2edt h SER 5 N 0.00 -1.16 -3.71 1.61 0.87 -2.00 -3.41 113.55 105.74 2edt h SER 5 Ca 0.00 0.13 -0.55 0.00 -1.23 0.00 0.00 61.79 60.14 2edt h SER 5 Cb 0.00 0.44 0.11 0.00 -0.44 0.00 0.00 62.40 62.51 2edt h SER 5 CO 0.00 -0.37 0.67 -0.24 -0.53 0.00 0.00 176.83 176.36 2edt n SER 6 N -4.57 3.37 0.00 6.23 2.88 -1.26 -4.99 113.62 115.27 2edt n SER 6 Ca -0.05 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2edt n SER 6 Cb 0.28 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 2edt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edt n GLY 7 N 0.58 1.29 3.77 0.46 0.00 -1.26 -5.11 105.19 104.91 2edt n GLY 7 Ca 0.03 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2edt n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edt s PRO 8 N -1.15 2.45 -0.14 1.61 0.04 -1.26 -5.03 135.00 131.52 2edt s PRO 8 Ca 0.00 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.16 2edt s PRO 8 Cb 0.00 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2edt s PRO 8 CO 0.00 -1.50 0.28 0.00 0.04 0.00 0.00 177.00 175.82 2edt s ALA 9 N -2.69 3.64 -0.03 8.56 0.00 -1.26 -4.89 121.76 125.08 2edt s ALA 9 Ca 0.63 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2edt s ALA 9 Cb -0.18 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 2edt s ALA 9 CO 0.51 0.21 -0.17 0.15 0.00 0.00 0.00 175.76 176.45 2edt s LYS 10 N 0.08 1.66 -0.09 0.00 1.02 -1.26 -4.35 119.74 116.81 2edt s LYS 10 Ca 0.17 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 2edt s LYS 10 Cb -0.13 -1.49 -0.05 0.00 -0.52 0.00 0.00 37.83 35.63 2edt s LYS 10 CO 0.05 0.29 1.76 -0.06 -0.92 0.00 0.00 175.35 176.47 2edt s PHE 11 N -0.10 1.79 -0.19 3.18 0.40 -1.26 0.14 117.98 121.93 2edt s PHE 11 Ca -0.00 0.17 0.18 0.00 -0.60 0.00 0.00 56.93 56.68 2edt s PHE 11 Cb -0.10 -4.00 -0.01 0.00 0.51 0.00 0.00 43.02 39.42 2edt s PHE 11 CO 0.01 -4.02 1.11 1.79 0.70 0.00 0.00 175.22 174.81 2edt h THR 12 N 5.86 0.43 0.00 0.64 1.35 -1.61 -3.40 112.91 116.18 2edt h THR 12 Ca -0.40 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 2edt h THR 12 Cb 1.19 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2edt h THR 12 CO 0.96 0.24 -0.76 -0.62 -0.25 0.00 0.00 175.52 175.10 2edt n GLU 13 N -2.95 2.98 -1.47 4.72 -0.58 -1.24 -5.03 120.64 117.08 2edt n GLU 13 Ca -0.03 0.00 0.19 0.00 -0.42 0.00 0.00 57.16 56.90 2edt n GLU 13 Cb 0.72 -0.88 -0.07 0.00 -0.57 0.00 0.00 31.44 30.64 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 2.40 -2.74 3.64 0.62 0.00 -1.26 -4.86 105.19 103.00 2edt n GLY 14 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -7.29 1.79 -0.02 0.99 1.43 -1.26 -4.63 118.68 109.70 2edt s LEU 15 Ca 0.00 1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 54.58 2edt s LEU 15 Cb 0.00 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2edt s LEU 15 CO 0.00 -3.23 0.09 0.00 0.23 0.00 0.00 176.35 173.44 2edt s ARG 16 N -4.78 0.25 0.34 1.70 1.70 -1.26 -4.87 118.95 112.03 2edt s ARG 16 Ca 0.66 -0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 55.50 2edt s ARG 16 Cb -0.21 0.10 -0.11 0.00 -0.57 0.00 0.00 34.95 34.17 2edt s ARG 16 CO 0.59 -0.05 1.44 0.54 -1.08 0.00 0.00 175.30 176.75 2edt s ASN 17 N -0.58 6.51 0.38 -2.89 2.20 -1.26 -4.61 114.94 114.69 2edt s ASN 17 Ca -0.07 2.89 -0.08 0.00 -0.94 0.00 0.00 52.86 54.66 2edt s ASN 17 Cb -0.04 -2.65 0.03 0.00 -2.00 0.00 0.00 41.25 36.59 2edt s ASN 17 CO 0.00 -0.76 0.64 -1.83 -2.94 0.00 0.00 177.10 172.22 2edt s GLU 18 N -1.60 2.14 0.24 3.55 -1.05 -0.12 -4.95 118.70 116.92 2edt s GLU 18 Ca 0.54 -1.66 -0.01 0.00 -0.15 0.00 0.00 54.97 53.69 2edt s GLU 18 Cb -0.44 0.54 -0.03 0.00 -0.44 0.00 0.00 34.13 33.76 2edt s GLU 18 CO 0.56 -0.95 0.23 -1.83 0.95 0.00 0.00 175.26 174.22 2edt s GLU 19 N -2.49 1.41 0.24 -4.83 -1.05 -1.26 -0.15 118.70 110.57 2edt s GLU 19 Ca 0.24 -1.67 -0.19 0.00 -0.15 0.00 0.00 54.97 53.20 2edt s GLU 19 Cb -0.03 0.32 0.07 0.00 -0.44 0.00 0.00 34.13 34.05 2edt s GLU 19 CO 0.17 -0.51 0.92 0.00 0.95 0.00 0.00 175.26 176.80 2edt n ALA 20 N -0.38 -2.32 -2.78 -0.84 0.00 0.18 -4.85 120.51 109.53 2edt n ALA 20 Ca 0.03 -1.06 -0.30 0.00 0.00 0.00 0.00 53.44 52.10 2edt n ALA 20 Cb 0.64 0.69 -0.06 0.00 0.00 0.00 0.00 19.45 20.72 2edt n ALA 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2edt s VAL 21 N -2.09 4.54 0.29 0.00 1.01 -1.26 0.98 120.40 123.87 2edt s VAL 21 Ca 0.20 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 2edt s VAL 21 Cb -0.03 -3.19 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 2edt s VAL 21 CO 0.07 0.13 1.35 -0.62 0.00 0.00 0.00 175.10 176.02 2edt n GLU 22 N 0.45 2.07 0.00 2.72 1.02 0.12 -1.13 120.64 125.89 2edt n GLU 22 Ca -0.09 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2edt n GLU 22 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 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 1.53 2.97 3.54 0.62 0.00 -0.79 -4.79 105.19 108.28 2edt n GLY 23 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2edt n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edt s ALA 24 N -1.23 0.39 -0.54 4.61 0.00 -0.28 -4.12 121.76 120.58 2edt s ALA 24 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2edt s ALA 24 Cb 0.00 -2.84 0.14 0.00 0.00 0.00 0.00 23.12 20.42 2edt s ALA 24 CO 0.00 -3.86 0.32 0.99 0.00 0.00 0.00 175.76 173.21 2edt s THR 25 N -2.93 3.12 0.75 0.00 2.01 -1.26 -2.22 115.64 115.11 2edt s THR 25 Ca 0.72 -2.99 -0.17 0.00 0.31 0.00 0.00 61.69 59.56 2edt s THR 25 Cb -0.08 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 2edt s THR 25 CO 0.56 -0.81 0.03 0.00 -0.69 0.00 0.00 174.62 173.71 2edt n ALA 26 N 3.48 -2.96 -3.83 7.40 0.00 -1.25 -4.75 120.51 118.60 2edt n ALA 26 Ca 0.06 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 2edt n ALA 26 Cb 0.36 -1.56 -0.16 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.18 1.09 -0.19 0.00 1.75 -1.26 -3.45 119.30 115.06 2edt s MET 27 Ca 0.57 -0.91 0.01 0.00 -1.25 0.00 0.00 55.69 54.11 2edt s MET 27 Cb -0.34 -2.34 0.04 0.00 2.84 0.00 0.00 34.83 35.03 2edt s MET 27 CO 0.67 -0.74 -0.11 -0.51 -0.65 0.00 0.00 175.02 173.68 2edt s LEU 28 N 1.55 2.24 0.30 4.11 1.43 -0.61 -4.99 118.68 122.73 2edt s LEU 28 Ca 0.01 -0.84 0.11 0.00 -1.03 0.00 0.00 54.13 52.37 2edt s LEU 28 Cb -0.18 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 2edt s LEU 28 CO -0.12 -0.13 -0.16 -1.66 0.23 0.00 0.00 176.35 174.51 2edt s TRP 29 N 1.39 2.33 -0.03 0.29 1.48 -1.26 -0.35 118.94 122.80 2edt s TRP 29 Ca -0.00 -0.40 -0.18 0.00 -1.06 0.00 0.00 56.10 54.46 2edt s TRP 29 Cb -0.16 -1.14 0.03 0.00 -1.16 0.00 0.00 33.47 31.05 2edt s TRP 29 CO -0.09 0.67 0.38 0.00 -4.06 0.00 0.00 176.95 173.85 2edt s GLU 31 N -1.25 2.23 0.24 0.00 2.02 -1.26 -1.72 118.70 118.96 2edt s GLU 31 Ca -0.13 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.82 2edt s GLU 31 Cb -0.04 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 2edt s GLU 31 CO 0.05 0.49 0.04 -0.51 0.02 0.00 0.00 175.26 175.35 2edt s LEU 32 N -2.51 1.96 0.00 1.80 1.43 -0.24 -1.80 118.68 119.31 2edt s LEU 32 Ca 0.24 -1.28 0.13 0.00 -1.03 0.00 0.00 54.13 52.19 2edt s LEU 32 Cb -0.10 -0.12 0.57 0.00 0.03 0.00 0.00 46.19 46.57 2edt s LEU 32 CO 0.16 -0.62 1.41 -0.24 0.23 0.00 0.00 176.35 177.29 2edt n SER 33 N -0.42 0.00 -3.68 2.29 2.88 0.36 -4.62 113.62 110.43 2edt n SER 33 Ca -0.03 0.45 -0.01 0.00 -1.33 0.00 0.00 58.87 57.95 2edt n SER 33 Cb 0.65 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 2edt n SER 33 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2edt s LYS 34 N -2.95 0.82 -0.56 -1.46 -2.85 -1.26 -4.92 119.74 106.57 2edt s LYS 34 Ca 0.07 -0.46 -0.28 0.00 -1.00 0.00 0.00 55.97 54.30 2edt s LYS 34 Cb 0.09 0.28 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 2edt s LYS 34 CO 0.23 -0.38 1.33 0.08 0.10 0.00 0.00 175.35 176.72 2edt s VAL 35 N -2.85 3.88 0.06 1.79 1.01 -1.26 -4.44 120.40 118.59 2edt s VAL 35 Ca 0.14 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.89 2edt s VAL 35 Cb 0.01 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2edt s VAL 35 CO -0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 175.10 173.83 2edt s ALA 36 N 5.60 0.59 -0.41 5.51 0.00 -1.26 -4.97 121.76 126.82 2edt s ALA 36 Ca 0.49 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 2edt s ALA 36 Cb -0.10 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2edt s ALA 36 CO 0.26 -0.26 1.73 -1.25 0.00 0.00 0.00 175.76 176.24 2edt s PRO 37 N -3.25 3.23 0.66 0.00 0.04 -1.26 -5.00 135.00 129.42 2edt s PRO 37 Ca 0.03 1.15 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 2edt s PRO 37 Cb 0.02 -4.20 0.05 0.00 0.04 0.00 0.00 34.50 30.41 2edt s PRO 37 CO -0.06 -1.99 0.96 0.14 0.04 0.00 0.00 177.00 176.10 2edt s VAL 38 N 7.07 2.64 -0.21 -0.36 -7.23 -1.26 -4.33 120.40 116.72 2edt s VAL 38 Ca 0.73 -0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 60.62 2edt s VAL 38 Cb -0.19 -3.11 0.08 0.00 0.56 0.00 0.00 36.38 33.72 2edt s VAL 38 CO 0.31 -0.11 0.13 -1.61 -0.31 0.00 0.00 175.10 173.50 2edt s GLU 39 N -5.14 0.13 0.12 4.82 2.02 0.39 -4.96 118.70 116.08 2edt s GLU 39 Ca 0.58 -0.18 -0.29 0.00 0.02 0.00 0.00 54.97 55.11 2edt s GLU 39 Cb -0.11 -1.50 -0.06 0.00 0.10 0.00 0.00 34.13 32.56 2edt s GLU 39 CO 0.44 -0.79 0.90 -1.58 0.02 0.00 0.00 175.26 174.26 2edt s TRP 40 N 2.16 3.84 0.07 1.61 0.52 -1.26 -0.84 118.94 125.03 2edt s TRP 40 Ca 0.05 1.74 -0.04 0.00 0.02 0.00 0.00 56.10 57.87 2edt s TRP 40 Cb -0.16 -2.97 -0.03 0.00 -1.15 0.00 0.00 33.47 29.17 2edt s TRP 40 CO -0.19 0.29 0.05 1.03 0.02 0.00 0.00 176.95 178.16 2edt s ARG 41 N -0.32 0.70 -0.50 4.98 0.52 0.41 -2.62 118.95 122.12 2edt s ARG 41 Ca 0.43 -1.12 0.03 0.00 -0.52 0.00 0.00 55.73 54.55 2edt s ARG 41 Cb -0.23 0.26 0.15 0.00 0.52 0.00 0.00 34.95 35.65 2edt s ARG 41 CO 0.28 -0.17 0.32 0.21 0.02 0.00 0.00 175.30 175.96 2edt s LYS 42 N -3.90 1.49 6.96 3.54 2.20 -1.21 -0.57 119.74 128.25 2edt s LYS 42 Ca 0.06 -2.34 0.00 0.00 -0.36 0.00 0.00 55.97 53.33 2edt s LYS 42 Cb 0.07 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 2edt s LYS 42 CO -0.10 -1.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.06 2edt n GLY 43 N 3.04 4.01 0.19 5.54 0.00 -1.24 -1.30 105.19 115.44 2edt n GLY 43 Ca 0.15 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 -7.66 1.61 0.13 -1.97 -3.45 132.00 120.66 2edt h PRO 44 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2edt h PRO 44 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 2edt h PRO 44 CO 0.00 0.36 0.40 -1.21 -0.23 0.00 0.00 178.00 177.32 2edt s GLU 45 N -3.85 1.44 -0.12 0.86 8.01 -0.42 -5.08 118.70 119.54 2edt s GLU 45 Ca -0.01 -0.02 -0.01 0.00 0.01 0.00 0.00 54.97 54.94 2edt s GLU 45 Cb 0.12 -1.90 0.03 0.00 -4.31 0.00 0.00 34.13 28.07 2edt s GLU 45 CO 0.69 -1.94 -0.04 0.54 0.01 0.00 0.00 175.26 174.52 2edt s ASN 46 N -4.59 2.21 0.25 -0.19 2.20 -1.26 -3.34 114.94 110.22 2edt s ASN 46 Ca 0.66 -0.36 0.05 0.00 -0.94 0.00 0.00 52.86 52.27 2edt s ASN 46 Cb -0.09 -0.72 -0.03 0.00 -2.00 0.00 0.00 41.25 38.41 2edt s ASN 46 CO 0.51 -0.17 0.34 -0.76 -2.94 0.00 0.00 177.10 174.08 2edt s LEU 47 N 1.78 4.21 0.18 3.54 1.43 -1.08 -4.92 118.68 123.83 2edt s LEU 47 Ca 0.04 -0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.89 2edt s LEU 47 Cb -0.13 -2.77 0.06 0.00 0.03 0.00 0.00 46.19 43.38 2edt s LEU 47 CO -0.07 -0.10 0.95 0.00 0.23 0.00 0.00 176.35 177.36 2edt s ARG 48 N -3.97 1.32 -0.43 1.70 1.04 -1.26 -4.35 118.95 113.00 2edt s ARG 48 Ca 0.35 -0.76 -0.27 0.00 -1.04 0.00 0.00 55.73 54.00 2edt s ARG 48 Cb -0.09 0.43 -0.03 0.00 -2.04 0.00 0.00 34.95 33.22 2edt s ARG 48 CO 0.29 -0.61 1.93 0.16 -0.04 0.00 0.00 175.30 177.02 2edt s ASP 49 N -3.04 5.49 0.03 -2.89 -4.77 -1.26 -4.61 116.67 105.61 2edt s ASP 49 Ca 0.14 1.03 -0.00 0.00 -3.30 0.00 0.00 52.55 50.42 2edt s ASP 49 Cb -0.02 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 2edt s ASP 49 CO 0.04 -2.08 0.04 0.61 0.70 0.00 0.00 175.17 174.48 2edt n GLY 50 N 5.60 3.11 0.50 2.12 0.00 -0.14 -4.99 105.19 111.39 2edt n GLY 50 Ca 0.24 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 2edt n GLY 50 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2edt h ASP 51 N 0.17 -1.07 -0.84 1.61 1.82 -2.02 -3.14 116.42 112.94 2edt h ASP 51 Ca -0.02 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2edt h ASP 51 Cb 0.10 0.28 -0.04 0.00 0.68 0.00 0.00 39.33 40.35 2edt h ASP 51 CO 0.03 -0.73 0.52 0.08 -1.61 0.00 0.00 179.24 177.53 2edt h ARG 52 N -1.34 1.13 -4.28 0.28 0.11 -1.95 -3.37 114.38 104.96 2edt h ARG 52 Ca -0.13 -0.09 -0.74 0.00 0.10 0.00 0.00 59.98 59.11 2edt h ARG 52 Cb 0.97 -0.24 -0.23 0.00 1.11 0.00 0.00 29.97 31.58 2edt h ARG 52 CO 0.21 0.79 -0.32 0.71 0.10 0.00 0.00 179.97 181.46 2edt s TYR 53 N -6.01 3.25 -0.65 4.08 2.02 -1.19 -1.96 117.35 116.89 2edt s TYR 53 Ca -0.13 -0.98 -0.24 0.00 -0.37 0.00 0.00 57.07 55.36 2edt s TYR 53 Cb 0.16 -3.24 0.06 0.00 -0.40 0.00 0.00 41.96 38.53 2edt s TYR 53 CO 0.80 -0.82 1.01 0.42 -1.57 0.00 0.00 175.55 175.39 2edt s ILE 54 N 1.63 4.23 0.15 2.71 1.01 -0.16 -0.97 121.20 129.80 2edt s ILE 54 Ca 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2edt s ILE 54 Cb -0.25 -4.69 -0.04 0.00 0.01 0.00 0.00 42.46 37.49 2edt s ILE 54 CO 0.06 -1.45 0.13 -0.76 0.00 0.00 0.00 174.94 172.92 2edt s LEU 55 N 4.33 3.83 0.29 2.97 1.02 -1.26 0.14 118.68 129.99 2edt s LEU 55 Ca 0.26 -0.09 -0.15 0.00 0.02 0.00 0.00 54.13 54.17 2edt s LEU 55 Cb -0.14 -2.45 0.01 0.00 0.02 0.00 0.00 46.19 43.63 2edt s LEU 55 CO 0.13 0.09 0.61 -0.13 0.02 0.00 0.00 176.35 177.07 2edt s ARG 56 N -2.96 1.77 -0.15 1.70 0.52 0.63 -4.98 118.95 115.48 2edt s ARG 56 Ca 0.31 -1.22 -0.07 0.00 -0.52 0.00 0.00 55.73 54.23 2edt s ARG 56 Cb -0.11 0.54 0.06 0.00 0.52 0.00 0.00 34.95 35.97 2edt s ARG 56 CO 0.23 -0.78 0.33 -1.14 0.02 0.00 0.00 175.30 173.97 2edt s GLN 57 N -3.66 0.26 -0.59 3.54 0.74 -1.26 -1.28 119.66 117.41 2edt s GLN 57 Ca 0.18 0.77 0.05 0.00 0.05 0.00 0.00 55.36 56.41 2edt s GLN 57 Cb -0.03 0.03 0.18 0.00 1.10 0.00 0.00 33.01 34.29 2edt s GLN 57 CO 0.10 -0.22 0.48 0.39 -0.55 0.00 0.00 175.29 175.49 2edt n GLU 58 N 4.81 1.36 -2.22 1.67 -0.58 0.72 -4.96 120.64 121.44 2edt n GLU 58 Ca -0.16 -4.05 0.00 0.00 -0.42 0.00 0.00 57.16 52.54 2edt n GLU 58 Cb 0.52 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 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 2.05 -4.68 1.68 0.62 0.00 -1.26 -3.62 105.19 99.97 2edt n GLY 59 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2edt n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2edt n THR 60 N 1.89 0.00 -3.90 2.61 -2.24 -1.26 -4.82 114.28 106.56 2edt n THR 60 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2edt n THR 60 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 2edt n THR 60 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2edt s ARG 61 N -3.33 0.17 -0.14 -0.78 3.52 -1.24 -1.08 118.95 116.07 2edt s ARG 61 Ca 0.00 -0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.38 2edt s ARG 61 Cb 0.00 0.07 0.05 0.00 -1.56 0.00 0.00 34.95 33.50 2edt s ARG 61 CO 0.00 -0.03 0.02 0.00 -0.81 0.00 0.00 175.30 174.49 2edt s GLU 63 N 1.93 4.26 -0.12 0.00 2.02 -0.41 -2.42 118.70 123.96 2edt s GLU 63 Ca 0.02 0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.15 2edt s GLU 63 Cb -0.15 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 30.64 2edt s GLU 63 CO -0.07 0.20 -0.21 -1.17 0.02 0.00 0.00 175.26 174.03 2edt s LEU 64 N 0.57 2.19 -0.22 1.80 2.96 0.53 -0.27 118.68 126.24 2edt s LEU 64 Ca 0.17 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2edt s LEU 64 Cb -0.13 -1.45 0.05 0.00 0.50 0.00 0.00 46.19 45.15 2edt s LEU 64 CO 0.05 0.13 -0.09 -1.10 -1.32 0.00 0.00 176.35 174.01 2edt s GLN 65 N 0.55 1.97 -0.89 1.98 -0.21 0.12 -1.57 119.66 121.61 2edt s GLN 65 Ca -0.13 -0.97 -0.22 0.00 0.02 0.00 0.00 55.36 54.06 2edt s GLN 65 Cb -0.17 -2.55 0.08 0.00 1.00 0.00 0.00 33.01 31.38 2edt s GLN 65 CO 0.04 -0.50 1.22 0.42 -2.12 0.00 0.00 175.29 174.35 2edt s ILE 66 N 1.34 4.30 -0.13 1.08 1.01 -1.22 -0.99 121.20 126.58 2edt s ILE 66 Ca -0.04 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 2edt s ILE 66 Cb -0.18 -4.87 -0.05 0.00 0.01 0.00 0.00 42.46 37.38 2edt s ILE 66 CO -0.07 -1.67 1.82 0.00 0.00 0.00 0.00 174.94 175.02 2edt n GLY 68 N 4.76 0.44 3.78 0.00 0.00 -1.25 -4.86 105.19 108.06 2edt n GLY 68 Ca 0.21 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.69 3.10 -0.16 0.99 1.43 -0.94 -4.83 118.68 117.58 2edt s LEU 69 Ca 0.00 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 54.56 2edt s LEU 69 Cb 0.00 -4.52 0.14 0.00 0.03 0.00 0.00 46.19 41.84 2edt s LEU 69 CO 0.00 -1.81 1.09 0.00 0.23 0.00 0.00 176.35 175.86 2edt s ALA 70 N -2.90 -1.98 0.35 4.21 0.00 -1.26 -1.88 121.76 118.30 2edt s ALA 70 Ca 0.61 1.53 0.22 0.00 0.00 0.00 0.00 51.96 54.31 2edt s ALA 70 Cb -0.16 -0.47 1.23 0.00 0.00 0.00 0.00 23.12 23.71 2edt s ALA 70 CO 0.54 -0.45 1.39 -1.33 0.00 0.00 0.00 175.76 175.91 2edt n MET 71 N 0.29 -0.05 0.00 0.00 2.81 -1.26 0.14 117.12 119.06 2edt n MET 71 Ca -0.05 1.18 -0.12 0.00 -1.81 0.00 0.00 57.70 56.90 2edt n MET 71 Cb 0.59 -2.18 -0.07 0.00 -0.71 0.00 0.00 33.22 30.85 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 1.65 0.08 -1.20 3.04 0.00 -2.00 -2.72 119.26 118.12 2edt h ALA 72 Ca 0.76 -0.08 0.39 0.00 0.00 0.00 0.00 54.91 55.98 2edt h ALA 72 Cb 2.14 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 19.78 2edt h ALA 72 CO -0.60 -0.35 0.75 -0.44 0.00 0.00 0.00 179.25 178.61 2edt h ASP 73 N -0.04 0.33 -1.92 0.00 5.19 0.82 -3.38 116.42 117.42 2edt h ASP 73 Ca 0.02 0.15 -0.60 0.00 -0.62 0.00 0.00 57.03 55.98 2edt h ASP 73 Cb 0.14 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 2edt h ASP 73 CO -0.00 -0.15 1.48 0.00 -3.12 0.00 0.00 179.24 177.45 2edt n ALA 74 N -2.46 1.73 -2.06 3.45 0.00 -1.03 -4.74 120.51 115.41 2edt n ALA 74 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2edt n ALA 74 Cb 1.25 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2edt n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2edt n GLY 75 N 5.80 2.16 2.70 0.00 0.00 -1.18 -4.98 105.19 109.68 2edt n GLY 75 Ca 0.31 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 4.17 0.61 0.28 1.61 2.12 -1.26 -2.58 118.70 123.65 2edt s GLU 76 Ca 0.00 -0.85 -0.19 0.00 0.36 0.00 0.00 54.97 54.29 2edt s GLU 76 Cb 0.00 -1.86 -0.09 0.00 0.26 0.00 0.00 34.13 32.44 2edt s GLU 76 CO 0.00 -0.92 0.76 0.71 -0.54 0.00 0.00 175.26 175.27 2edt s TYR 77 N 1.75 3.54 -0.03 5.30 1.51 -0.30 -3.60 117.35 125.52 2edt s TYR 77 Ca 0.07 1.39 0.03 0.00 -1.01 0.00 0.00 57.07 57.55 2edt s TYR 77 Cb -0.17 -2.64 0.00 0.00 -0.11 0.00 0.00 41.96 39.04 2edt s TYR 77 CO -0.24 0.22 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.78 2edt s LEU 78 N -2.39 1.85 -0.35 -1.29 1.02 0.26 -0.11 118.68 117.67 2edt s LEU 78 Ca 0.49 -0.25 -0.02 0.00 0.02 0.00 0.00 54.13 54.37 2edt s LEU 78 Cb -0.14 -0.70 0.08 0.00 0.02 0.00 0.00 46.19 45.45 2edt s LEU 78 CO 0.20 0.10 0.10 0.00 0.02 0.00 0.00 176.35 176.77 2edt s VAL 80 N 1.16 5.25 -0.62 0.00 1.01 -0.02 -1.51 120.40 125.67 2edt s VAL 80 Ca 0.03 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.75 2edt s VAL 80 Cb -0.21 -3.70 0.24 0.00 0.00 0.00 0.00 36.38 32.71 2edt s VAL 80 CO -0.03 0.33 0.71 0.00 0.00 0.00 0.00 175.10 176.11 2edt n GLY 82 N 0.97 1.92 0.10 0.00 0.00 -1.26 -3.49 105.19 103.43 2edt n GLY 82 Ca 0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.82 -2.60 1.61 6.02 -1.26 -4.99 117.38 116.98 2edt n GLN 83 Ca 0.00 0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.78 2edt n GLN 83 Cb 0.00 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 29.80 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2edt s GLU 84 N -2.47 2.61 -0.24 -1.09 0.41 -1.23 -5.11 118.70 111.57 2edt s GLU 84 Ca -0.14 -0.56 -0.28 0.00 -0.41 0.00 0.00 54.97 53.58 2edt s GLU 84 Cb 0.06 -2.42 0.16 0.00 -1.78 0.00 0.00 34.13 30.15 2edt s GLU 84 CO 0.75 -0.73 1.20 -0.98 -0.49 0.00 0.00 175.26 175.00 2edt s ARG 85 N -4.84 0.31 0.21 1.61 1.70 -1.26 -0.55 118.95 116.14 2edt s ARG 85 Ca 0.56 0.14 0.04 0.00 -0.47 0.00 0.00 55.73 56.00 2edt s ARG 85 Cb -0.10 0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.38 2edt s ARG 85 CO 0.40 -0.08 -0.02 -0.08 -1.08 0.00 0.00 175.30 174.43 2edt s THR 86 N -0.75 1.02 0.13 4.99 -1.32 -0.57 -4.95 115.64 114.20 2edt s THR 86 Ca 0.04 -2.03 0.05 0.00 -1.21 0.00 0.00 61.69 58.54 2edt s THR 86 Cb -0.02 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 2edt s THR 86 CO -0.05 -0.42 -0.12 -0.94 -2.21 0.00 0.00 174.62 170.87 2edt s SER 87 N -3.26 1.92 0.17 8.08 1.04 -1.26 0.00 113.70 120.38 2edt s SER 87 Ca 0.26 -0.89 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 2edt s SER 87 Cb 0.05 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.13 2edt s SER 87 CO 0.07 -0.21 0.39 0.00 0.98 0.00 0.00 173.24 174.46 2edt s ALA 88 N -2.58 -0.47 -0.10 5.32 0.00 0.85 -4.67 121.76 120.11 2edt s ALA 88 Ca 0.12 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2edt s ALA 88 Cb -0.02 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2edt s ALA 88 CO 0.02 -0.70 -0.16 0.99 0.00 0.00 0.00 175.76 175.90 2edt s THR 89 N -3.91 2.79 -0.08 0.00 2.01 -1.26 -1.15 115.64 114.04 2edt s THR 89 Ca 0.12 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.38 2edt s THR 89 Cb 0.01 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2edt s THR 89 CO -0.03 0.55 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.05 2edt s LEU 90 N 0.03 2.47 -0.11 4.42 2.96 -1.07 -0.94 118.68 126.43 2edt s LEU 90 Ca -0.06 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2edt s LEU 90 Cb -0.15 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2edt s LEU 90 CO 0.05 0.25 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.36 2edt s THR 91 N -0.18 3.57 -0.11 3.68 2.01 0.79 -3.10 115.64 122.30 2edt s THR 91 Ca -0.01 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 2edt s THR 91 Cb -0.13 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2edt s THR 91 CO 0.03 0.54 0.01 -0.63 -0.69 0.00 0.00 174.62 173.88 2edt s ILE 92 N -0.10 4.33 -0.32 1.82 -1.09 -1.26 0.52 121.20 125.11 2edt s ILE 92 Ca 0.01 -0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.11 2edt s ILE 92 Cb -0.13 -2.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.91 2edt s ILE 92 CO 0.03 0.57 0.13 -0.13 -1.23 0.00 0.00 174.94 174.31 2edt s ARG 93 N -0.57 3.12 0.01 2.79 1.81 0.28 -4.92 118.95 121.47 2edt s ARG 93 Ca 0.10 -0.86 -0.31 0.00 -1.72 0.00 0.00 55.73 52.94 2edt s ARG 93 Cb -0.12 -3.50 -0.10 0.00 -0.45 0.00 0.00 34.95 30.78 2edt s ARG 93 CO 0.02 -0.48 1.93 0.00 -0.68 0.00 0.00 175.30 176.09 2edt n ALA 94 N 4.93 1.45 -1.32 2.13 0.00 -1.26 -0.71 120.51 125.73 2edt n ALA 94 Ca -0.14 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 2edt n ALA 94 Cb 0.48 -2.62 0.06 0.00 0.00 0.00 0.00 19.45 17.37 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 7.07 0.90 -0.07 0.00 4.77 -1.26 -4.89 117.00 123.51 2edt n LEU 95 Ca 0.21 0.63 -0.13 0.00 -0.03 0.00 0.00 56.01 56.68 2edt n LEU 95 Cb 0.37 -1.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.19 2edt n LEU 95 CO 0.69 -3.06 0.59 1.55 -1.33 0.00 0.00 177.39 175.82 2edt h PRO 96 N -0.21 0.52 -6.07 3.23 0.13 -1.99 -3.45 132.00 124.16 2edt h PRO 96 Ca -0.46 -0.27 -0.74 0.00 -0.87 0.00 0.00 66.00 63.66 2edt h PRO 96 Cb 1.36 0.01 0.06 0.00 0.13 0.00 0.00 31.00 32.56 2edt h PRO 96 CO 0.44 0.86 0.04 0.45 -0.23 0.00 0.00 178.00 179.55 2edt n SER 97 N -4.42 0.14 -0.67 1.44 2.88 -1.26 -4.92 113.62 106.81 2edt n SER 97 Ca -0.05 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2edt n SER 97 Cb 0.41 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2edt n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edt n GLY 98 N 1.76 2.39 0.21 0.46 0.00 -1.26 -5.03 105.19 103.71 2edt n GLY 98 Ca 0.19 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.34 2edt n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edt h PRO 99 N 0.00 0.00 -7.22 1.61 0.13 -2.02 -3.45 132.00 121.05 2edt h PRO 99 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 2edt h PRO 99 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 2edt h PRO 99 CO 0.00 0.29 0.35 -1.54 -0.23 0.00 0.00 178.00 176.87 2edt s SER 100 N -6.40 4.24 -0.10 1.44 1.04 -1.26 -4.95 113.70 107.71 2edt s SER 100 Ca -0.01 2.16 -0.30 0.00 0.48 0.00 0.00 55.95 58.29 2edt s SER 100 Cb 0.12 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 2edt s SER 100 CO 0.66 -2.22 1.19 -0.55 0.98 0.00 0.00 173.24 173.30 2edt s SER 101 N -2.47 7.04 0.00 7.02 0.15 -1.26 -5.11 113.70 119.08 2edt s SER 101 Ca 0.69 1.73 0.00 0.00 0.70 0.00 0.00 55.95 59.07 2edt s SER 101 Cb -0.24 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2edt s SER 101 CO 0.48 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.90