#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edt s SER 2 N 0.00 7.34 0.32 1.61 0.01 -1.26 -5.06 113.70 116.66 2edt s SER 2 Ca 0.00 1.60 0.04 0.00 1.31 0.00 0.00 55.95 58.91 2edt s SER 2 Cb 0.00 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2edt s SER 2 CO 0.00 -0.10 0.04 -0.94 0.41 0.00 0.00 173.24 172.65 2edt s SER 3 N 0.34 2.54 0.00 2.44 1.04 -1.26 -4.94 113.70 113.86 2edt s SER 3 Ca 0.45 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2edt s SER 3 Cb -0.21 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2edt s SER 3 CO 0.26 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2edt n GLY 4 N -0.69 2.24 3.48 7.32 0.00 -1.26 -5.03 105.19 111.24 2edt n GLY 4 Ca -0.03 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 2edt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edt s SER 5 N -0.85 6.24 0.27 1.61 0.01 -1.26 -4.94 113.70 114.77 2edt s SER 5 Ca 0.00 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 2edt s SER 5 Cb 0.00 -2.27 0.58 0.00 0.21 0.00 0.00 66.02 64.54 2edt s SER 5 CO 0.00 -0.74 1.67 0.28 0.41 0.00 0.00 173.24 174.86 2edt h SER 6 N 8.86 -0.00 0.00 2.44 0.02 -1.98 -3.45 113.55 119.43 2edt h SER 6 Ca -0.27 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2edt h SER 6 Cb 1.10 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2edt h SER 6 CO 0.88 -0.09 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2edt n GLY 7 N -1.37 2.25 3.59 -3.77 0.00 -1.26 -5.17 105.19 99.46 2edt n GLY 7 Ca 0.18 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.69 -1.22 -0.32 1.61 0.04 -1.26 -4.98 135.00 127.18 2edt s PRO 8 Ca 0.00 -0.06 -0.24 0.00 0.04 0.00 0.00 61.00 60.74 2edt s PRO 8 Cb 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2edt s PRO 8 CO 0.00 -3.71 0.82 0.00 0.04 0.00 0.00 177.00 174.15 2edt s ALA 9 N -3.00 3.50 -0.10 8.56 0.00 -1.26 -4.89 121.76 124.57 2edt s ALA 9 Ca 0.71 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 2edt s ALA 9 Cb -0.10 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2edt s ALA 9 CO 0.56 -1.30 0.02 0.15 0.00 0.00 0.00 175.76 175.19 2edt s LYS 10 N 3.08 3.13 -0.02 0.00 1.02 -1.26 -4.72 119.74 120.96 2edt s LYS 10 Ca 0.34 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 2edt s LYS 10 Cb -0.14 -2.87 -0.07 0.00 -0.52 0.00 0.00 37.83 34.24 2edt s LYS 10 CO 0.14 0.66 1.83 -0.06 -0.92 0.00 0.00 175.35 176.99 2edt s PHE 11 N -0.75 1.61 -0.04 3.18 0.40 -1.26 0.27 117.98 121.38 2edt s PHE 11 Ca 0.12 -0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 56.28 2edt s PHE 11 Cb -0.12 -4.08 -0.28 0.00 0.51 0.00 0.00 43.02 39.05 2edt s PHE 11 CO 0.02 -4.69 0.69 1.79 0.70 0.00 0.00 175.22 173.74 2edt h THR 12 N 5.67 0.96 0.00 0.64 1.35 -1.84 -3.42 112.91 116.28 2edt h THR 12 Ca -0.44 -2.60 -0.11 0.00 -0.55 0.00 0.00 66.41 62.70 2edt h THR 12 Cb 1.21 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 70.31 2edt h THR 12 CO 0.95 0.83 -1.43 -0.62 -0.25 0.00 0.00 175.52 174.99 2edt n GLU 13 N -3.49 0.93 -0.74 4.72 -0.58 -1.26 -5.03 120.64 115.18 2edt n GLU 13 Ca -0.22 0.03 0.10 0.00 -0.42 0.00 0.00 57.16 56.65 2edt n GLU 13 Cb 1.06 -1.16 -0.03 0.00 -0.57 0.00 0.00 31.44 30.74 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 3.00 -2.11 2.11 0.62 0.00 -1.26 -4.93 105.19 102.62 2edt n GLY 14 Ca -0.13 -1.31 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 2edt n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2edt n LEU 15 N -3.21 0.00 -3.64 0.99 4.77 -1.26 -4.64 117.00 110.00 2edt n LEU 15 Ca -0.01 -0.71 -0.05 0.00 -0.03 0.00 0.00 56.01 55.20 2edt n LEU 15 Cb 0.34 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 2edt n LEU 15 CO 0.01 -1.63 0.66 0.00 -1.33 0.00 0.00 177.39 175.10 2edt s ARG 16 N -4.51 0.46 0.51 3.23 1.70 -1.26 -4.95 118.95 114.13 2edt s ARG 16 Ca 0.43 0.71 -0.22 0.00 -0.47 0.00 0.00 55.73 56.17 2edt s ARG 16 Cb -0.04 0.14 -0.07 0.00 -0.57 0.00 0.00 34.95 34.41 2edt s ARG 16 CO 0.32 -0.08 1.15 0.27 -1.08 0.00 0.00 175.30 175.88 2edt n ASN 17 N 3.30 1.77 -3.08 -2.89 6.94 -1.26 -4.66 115.26 115.40 2edt n ASN 17 Ca -0.17 0.97 -0.13 0.00 -0.02 0.00 0.00 54.58 55.23 2edt n ASN 17 Cb 0.57 -1.46 -0.02 0.00 -2.36 0.00 0.00 39.78 36.52 2edt n ASN 17 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 2edt s GLU 18 N -2.51 2.06 0.34 -3.83 -1.05 -0.47 -4.90 118.70 108.35 2edt s GLU 18 Ca 0.69 -1.68 0.09 0.00 -0.15 0.00 0.00 54.97 53.92 2edt s GLU 18 Cb -0.47 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 33.68 2edt s GLU 18 CO 0.52 -0.90 0.04 -1.21 0.95 0.00 0.00 175.26 174.67 2edt s GLU 19 N -2.72 2.14 0.32 -4.83 0.41 -1.26 -0.96 118.70 111.80 2edt s GLU 19 Ca 0.26 -1.72 -0.18 0.00 -0.41 0.00 0.00 54.97 52.91 2edt s GLU 19 Cb -0.02 -1.97 0.05 0.00 -1.78 0.00 0.00 34.13 30.40 2edt s GLU 19 CO 0.18 0.12 0.80 0.00 -0.49 0.00 0.00 175.26 175.87 2edt s ALA 20 N -2.51 -1.02 0.00 5.21 0.00 0.28 -4.82 121.76 118.90 2edt s ALA 20 Ca 0.36 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2edt s ALA 20 Cb -0.00 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 2edt s ALA 20 CO 0.20 -1.01 -0.12 0.08 0.00 0.00 0.00 175.76 174.90 2edt s VAL 21 N -2.83 0.98 0.02 0.00 1.01 -1.26 0.16 120.40 118.49 2edt s VAL 21 Ca 0.15 -0.64 -0.39 0.00 0.00 0.00 0.00 61.98 61.10 2edt s VAL 21 Cb -0.05 -0.84 -0.18 0.00 0.00 0.00 0.00 36.38 35.31 2edt s VAL 21 CO 0.09 0.20 1.23 -0.62 0.00 0.00 0.00 175.10 176.00 2edt n GLU 22 N 2.56 0.59 0.00 2.72 1.02 0.80 -0.09 120.64 128.24 2edt n GLU 22 Ca -0.15 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2edt n GLU 22 Cb 0.56 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 2.14 2.08 3.37 0.62 0.00 -0.91 -4.66 105.19 107.84 2edt n GLY 23 Ca 0.20 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.54 -3.24 4.61 0.00 0.87 -3.56 120.51 115.65 2edt n ALA 24 Ca 0.00 -1.35 -0.38 0.00 0.00 0.00 0.00 53.44 51.71 2edt n ALA 24 Cb 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 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 -2.31 3.82 0.99 0.00 2.01 -1.26 -2.31 115.64 116.57 2edt s THR 25 Ca 0.65 -1.17 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 2edt s THR 25 Cb -0.21 -3.19 0.13 0.00 0.01 0.00 0.00 72.50 69.24 2edt s THR 25 CO 0.64 -0.22 0.78 0.00 -0.69 0.00 0.00 174.62 175.13 2edt n ALA 26 N 4.82 -2.03 -3.72 7.40 0.00 -1.25 -4.84 120.51 120.89 2edt n ALA 26 Ca -0.12 -0.73 -0.28 0.00 0.00 0.00 0.00 53.44 52.31 2edt n ALA 26 Cb 0.44 -1.97 -0.16 0.00 0.00 0.00 0.00 19.45 17.76 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 -4.16 0.61 -0.13 0.00 1.75 -1.26 -3.88 119.30 112.23 2edt s MET 27 Ca 0.63 -0.48 -0.01 0.00 -1.25 0.00 0.00 55.69 54.58 2edt s MET 27 Cb -0.22 -2.04 0.03 0.00 2.84 0.00 0.00 34.83 35.44 2edt s MET 27 CO 0.63 -0.70 -0.05 -0.51 -0.65 0.00 0.00 175.02 173.74 2edt s LEU 28 N 1.86 1.25 0.19 4.11 1.43 -1.03 -5.00 118.68 121.49 2edt s LEU 28 Ca 0.01 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.76 2edt s LEU 28 Cb -0.17 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 2edt s LEU 28 CO -0.11 -0.17 -0.18 -1.66 0.23 0.00 0.00 176.35 174.46 2edt s TRP 29 N 1.73 1.86 -0.20 0.29 1.48 -1.26 -0.85 118.94 121.99 2edt s TRP 29 Ca 0.03 -0.48 -0.17 0.00 -1.06 0.00 0.00 56.10 54.43 2edt s TRP 29 Cb -0.14 -0.90 0.06 0.00 -1.16 0.00 0.00 33.47 31.33 2edt s TRP 29 CO -0.08 0.39 0.53 0.00 -4.06 0.00 0.00 176.95 173.73 2edt s GLU 31 N 0.55 3.11 0.05 0.00 2.02 -1.26 -1.04 118.70 122.14 2edt s GLU 31 Ca -0.02 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.06 2edt s GLU 31 Cb -0.04 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 2edt s GLU 31 CO -0.03 -0.02 0.09 -0.51 0.02 0.00 0.00 175.26 174.80 2edt s LEU 32 N -4.28 1.89 0.63 1.80 1.43 0.18 -3.07 118.68 117.26 2edt s LEU 32 Ca 0.46 -0.69 0.37 0.00 -1.03 0.00 0.00 54.13 53.23 2edt s LEU 32 Cb -0.10 0.61 2.00 0.00 0.03 0.00 0.00 46.19 48.73 2edt s LEU 32 CO 0.33 -0.59 2.12 -1.28 0.23 0.00 0.00 176.35 177.16 2edt h SER 33 N 3.28 0.00 -5.04 2.29 0.87 -0.48 -3.44 113.55 111.03 2edt h SER 33 Ca -0.33 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.29 2edt h SER 33 Cb 1.18 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 2edt h SER 33 CO 0.56 0.00 0.27 -1.59 -0.53 0.00 0.00 176.83 175.54 2edt s LYS 34 N -4.05 1.80 -0.69 2.24 -2.85 -1.26 -4.92 119.74 110.00 2edt s LYS 34 Ca -0.04 -1.03 -0.27 0.00 -1.00 0.00 0.00 55.97 53.63 2edt s LYS 34 Cb 0.11 0.59 0.03 0.00 -2.06 0.00 0.00 37.83 36.50 2edt s LYS 34 CO 0.33 -0.83 1.23 0.08 0.10 0.00 0.00 175.35 176.27 2edt s VAL 35 N -3.55 3.84 0.08 1.79 1.01 -1.26 -4.55 120.40 117.75 2edt s VAL 35 Ca 0.12 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.62 2edt s VAL 35 Cb -0.05 -4.85 -0.03 0.00 0.00 0.00 0.00 36.38 31.44 2edt s VAL 35 CO 0.07 -1.70 -0.10 0.00 0.00 0.00 0.00 175.10 173.37 2edt s ALA 36 N 5.43 1.04 -0.23 5.51 0.00 -1.26 -4.99 121.76 127.26 2edt s ALA 36 Ca 0.36 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 2edt s ALA 36 Cb -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2edt s ALA 36 CO 0.17 -0.00 1.61 -1.25 0.00 0.00 0.00 175.76 176.29 2edt s PRO 37 N -2.46 3.77 0.34 0.00 0.04 -1.26 -5.01 135.00 130.43 2edt s PRO 37 Ca 0.02 1.63 0.06 0.00 0.04 0.00 0.00 61.00 62.75 2edt s PRO 37 Cb -0.05 -4.04 -0.01 0.00 0.04 0.00 0.00 34.50 30.44 2edt s PRO 37 CO 0.00 -1.32 0.48 0.14 0.04 0.00 0.00 177.00 176.35 2edt s VAL 38 N 5.26 4.06 -0.26 -0.36 -7.23 -1.26 -4.63 120.40 115.98 2edt s VAL 38 Ca 0.71 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 2edt s VAL 38 Cb -0.24 -3.41 0.08 0.00 0.56 0.00 0.00 36.38 33.37 2edt s VAL 38 CO 0.29 -0.17 0.08 -1.61 -0.31 0.00 0.00 175.10 173.39 2edt s GLU 39 N -4.20 0.57 0.19 4.82 0.41 0.80 -4.97 118.70 116.31 2edt s GLU 39 Ca 0.45 -0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 54.01 2edt s GLU 39 Cb -0.10 -1.86 -0.08 0.00 -1.78 0.00 0.00 34.13 30.32 2edt s GLU 39 CO 0.32 -0.86 1.20 -1.58 -0.49 0.00 0.00 175.26 173.84 2edt s TRP 40 N 1.82 3.42 0.14 1.61 0.52 -1.26 -1.91 118.94 123.27 2edt s TRP 40 Ca 0.06 1.42 -0.01 0.00 0.02 0.00 0.00 56.10 57.58 2edt s TRP 40 Cb -0.17 -3.44 -0.04 0.00 -1.15 0.00 0.00 33.47 28.67 2edt s TRP 40 CO -0.21 -1.23 0.08 1.03 0.02 0.00 0.00 176.95 176.63 2edt s ARG 41 N -0.24 0.98 -0.42 4.98 0.52 0.68 -2.13 118.95 123.31 2edt s ARG 41 Ca 0.53 -1.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 2edt s ARG 41 Cb -0.33 0.25 0.14 0.00 0.52 0.00 0.00 34.95 35.54 2edt s ARG 41 CO 0.37 -0.29 0.25 0.21 0.02 0.00 0.00 175.30 175.87 2edt s LYS 42 N -4.06 1.01 3.17 3.54 2.20 -1.17 -0.61 119.74 123.82 2edt s LYS 42 Ca 0.26 -1.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.04 2edt s LYS 42 Cb 0.07 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.52 2edt s LYS 42 CO 0.03 -1.22 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 2edt n GLY 43 N 3.56 2.70 0.23 5.54 0.00 -1.22 0.35 105.19 116.36 2edt n GLY 43 Ca 0.13 0.33 0.10 0.00 0.00 0.00 0.00 46.02 46.58 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 0.12 0.00 0.13 0.00 0.00 31.00 31.25 2edt h PRO 44 CO 0.00 0.21 0.22 0.39 -0.23 0.00 0.00 178.00 178.60 2edt n GLU 45 N -3.47 -0.54 -3.84 0.86 4.71 0.16 -5.12 120.64 113.40 2edt n GLU 45 Ca -0.00 -2.41 -0.12 0.00 -0.01 0.00 0.00 57.16 54.61 2edt n GLU 45 Cb 0.39 -0.91 -0.13 0.00 -1.01 0.00 0.00 31.44 29.77 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 -5.26 -0.07 0.25 1.62 2.20 -1.26 -3.06 114.94 109.35 2edt s ASN 46 Ca 0.68 0.14 0.12 0.00 -0.94 0.00 0.00 52.86 52.86 2edt s ASN 46 Cb -0.03 0.14 -0.05 0.00 -2.00 0.00 0.00 41.25 39.31 2edt s ASN 46 CO 0.46 -0.03 -0.21 -0.76 -2.94 0.00 0.00 177.10 173.63 2edt s LEU 47 N 0.06 2.55 0.08 3.54 1.43 -0.91 -4.84 118.68 120.59 2edt s LEU 47 Ca -0.00 -0.99 -0.26 0.00 -1.03 0.00 0.00 54.13 51.85 2edt s LEU 47 Cb -0.01 -1.10 0.08 0.00 0.03 0.00 0.00 46.19 45.20 2edt s LEU 47 CO -0.00 0.05 0.71 0.00 0.23 0.00 0.00 176.35 177.35 2edt s ARG 48 N -3.29 1.09 -0.52 1.70 1.70 -1.26 -4.29 118.95 114.08 2edt s ARG 48 Ca 0.27 -0.33 -0.26 0.00 -0.47 0.00 0.00 55.73 54.94 2edt s ARG 48 Cb -0.06 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 34.75 2edt s ARG 48 CO 0.13 -0.46 2.43 -0.40 -1.08 0.00 0.00 175.30 175.92 2edt n ASP 49 N -0.19 2.23 -0.44 -2.89 5.75 -1.26 -4.65 116.55 115.10 2edt n ASP 49 Ca -0.14 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 2edt n ASP 49 Cb 0.63 -1.57 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 6.05 4.52 0.00 6.12 0.00 -0.38 -4.97 105.19 116.53 2edt n GLY 50 Ca 0.38 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2edt n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2edt n ASP 51 N -1.26 0.00 0.01 1.61 8.00 -1.26 -3.28 116.55 120.37 2edt n ASP 51 Ca 0.00 0.85 0.17 0.00 0.71 0.00 0.00 54.79 56.51 2edt n ASP 51 Cb 0.00 -0.43 0.64 0.00 -0.02 0.00 0.00 41.12 41.30 2edt n ASP 51 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2edt h ARG 52 N 0.00 0.10 -4.23 -1.24 0.11 -1.95 -3.34 114.38 103.83 2edt h ARG 52 Ca 0.00 -0.01 -0.74 0.00 0.10 0.00 0.00 59.98 59.33 2edt h ARG 52 Cb 0.00 -0.02 -0.25 0.00 1.11 0.00 0.00 29.97 30.81 2edt h ARG 52 CO 0.00 0.07 -0.31 0.71 0.10 0.00 0.00 179.97 180.53 2edt s TYR 53 N -5.12 3.29 -0.88 4.08 2.02 -1.21 -1.63 117.35 117.91 2edt s TYR 53 Ca -0.06 -1.34 -0.22 0.00 -0.37 0.00 0.00 57.07 55.09 2edt s TYR 53 Cb 0.19 -3.47 0.08 0.00 -0.40 0.00 0.00 41.96 38.36 2edt s TYR 53 CO 0.73 -0.94 1.23 0.42 -1.57 0.00 0.00 175.55 175.42 2edt s ILE 54 N 1.54 4.23 0.05 2.71 1.01 0.40 -1.25 121.20 129.89 2edt s ILE 54 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 2edt s ILE 54 Cb -0.27 -4.88 -0.04 0.00 0.01 0.00 0.00 42.46 37.28 2edt s ILE 54 CO 0.03 -1.70 0.22 -0.76 0.00 0.00 0.00 174.94 172.73 2edt s LEU 55 N 4.19 4.36 -0.08 2.97 1.02 -1.26 -0.42 118.68 129.45 2edt s LEU 55 Ca 0.35 0.31 -0.19 0.00 0.02 0.00 0.00 54.13 54.62 2edt s LEU 55 Cb -0.06 -2.92 0.04 0.00 0.02 0.00 0.00 46.19 43.27 2edt s LEU 55 CO -0.02 0.18 0.45 -0.13 0.02 0.00 0.00 176.35 176.85 2edt s ARG 56 N -2.41 0.72 -0.32 1.70 0.52 0.31 -4.99 118.95 114.49 2edt s ARG 56 Ca 0.34 0.20 -0.01 0.00 -0.52 0.00 0.00 55.73 55.74 2edt s ARG 56 Cb -0.13 0.33 0.11 0.00 0.52 0.00 0.00 34.95 35.78 2edt s ARG 56 CO 0.26 -0.18 0.13 -1.14 0.02 0.00 0.00 175.30 174.39 2edt s GLN 57 N -0.75 0.60 -0.29 3.54 0.74 -1.26 0.54 119.66 122.78 2edt s GLN 57 Ca -0.08 -1.02 -0.01 0.00 0.05 0.00 0.00 55.36 54.30 2edt s GLN 57 Cb -0.03 -1.74 0.21 0.00 1.10 0.00 0.00 33.01 32.55 2edt s GLN 57 CO 0.04 -1.03 1.94 0.39 -0.55 0.00 0.00 175.29 176.09 2edt n GLU 58 N 4.79 1.73 0.00 1.67 -0.58 -0.70 -4.97 120.64 122.58 2edt n GLU 58 Ca -0.01 -1.46 0.00 0.00 -0.42 0.00 0.00 57.16 55.27 2edt n GLU 58 Cb 0.41 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 0.33 0.63 0.12 0.62 0.00 -1.26 -4.45 105.19 101.18 2edt n GLY 59 Ca 0.28 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 1.18 -4.59 2.61 -2.24 -1.26 -4.50 114.28 105.48 2edt n THR 60 Ca 0.00 0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 62.13 2edt n THR 60 Cb 0.00 -1.67 -0.11 0.00 -2.10 0.00 0.00 70.33 66.44 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 2.59 -0.10 -0.78 3.00 -1.26 0.51 118.95 119.58 2edt s ARG 61 Ca -0.02 -0.67 0.02 0.00 -1.00 0.00 0.00 55.73 54.07 2edt s ARG 61 Cb 0.04 -2.50 0.01 0.00 0.00 0.00 0.00 34.95 32.50 2edt s ARG 61 CO 0.13 0.62 -0.16 0.00 0.00 0.00 0.00 175.30 175.89 2edt s GLU 63 N 0.79 3.38 -0.06 0.00 2.02 0.19 -2.03 118.70 122.99 2edt s GLU 63 Ca -0.11 -0.30 0.04 0.00 0.02 0.00 0.00 54.97 54.62 2edt s GLU 63 Cb -0.16 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.05 2edt s GLU 63 CO 0.02 0.62 -0.18 -1.17 0.02 0.00 0.00 175.26 174.57 2edt s LEU 64 N -0.62 1.89 -0.18 1.80 2.96 -0.03 -0.53 118.68 123.98 2edt s LEU 64 Ca 0.11 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2edt s LEU 64 Cb -0.12 -1.05 0.05 0.00 0.50 0.00 0.00 46.19 45.58 2edt s LEU 64 CO 0.02 0.13 0.00 -1.10 -1.32 0.00 0.00 176.35 174.09 2edt s GLN 65 N 0.23 0.92 -0.78 1.98 -0.21 0.44 -2.46 119.66 119.78 2edt s GLN 65 Ca -0.09 -0.45 -0.20 0.00 0.02 0.00 0.00 55.36 54.63 2edt s GLN 65 Cb -0.14 -2.02 0.10 0.00 1.00 0.00 0.00 33.01 31.95 2edt s GLN 65 CO 0.04 -0.56 1.01 0.42 -2.12 0.00 0.00 175.29 174.08 2edt s ILE 66 N 1.77 4.56 -0.11 1.08 1.01 -1.25 -0.45 121.20 127.80 2edt s ILE 66 Ca -0.01 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.36 2edt s ILE 66 Cb -0.16 -4.71 -0.04 0.00 0.01 0.00 0.00 42.46 37.56 2edt s ILE 66 CO -0.07 -1.45 1.61 0.00 0.00 0.00 0.00 174.94 175.03 2edt n GLY 68 N 4.22 0.52 3.65 0.00 0.00 -1.25 -4.83 105.19 107.50 2edt n GLY 68 Ca 0.17 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.10 1.71 -0.20 0.99 1.43 -0.98 -4.79 118.68 115.75 2edt s LEU 69 Ca 0.00 1.43 -0.31 0.00 -1.03 0.00 0.00 54.13 54.22 2edt s LEU 69 Cb 0.00 -3.64 0.15 0.00 0.03 0.00 0.00 46.19 42.73 2edt s LEU 69 CO 0.00 -3.23 1.18 0.00 0.23 0.00 0.00 176.35 174.53 2edt s ALA 70 N -2.82 -2.03 0.36 4.21 0.00 -1.26 -2.14 121.76 118.07 2edt s ALA 70 Ca 0.65 1.67 0.26 0.00 0.00 0.00 0.00 51.96 54.55 2edt s ALA 70 Cb -0.20 -0.78 1.21 0.00 0.00 0.00 0.00 23.12 23.36 2edt s ALA 70 CO 0.59 -0.38 1.27 -1.33 0.00 0.00 0.00 175.76 175.91 2edt n MET 71 N 0.38 -0.03 -0.02 0.00 2.81 -1.26 0.19 117.12 119.19 2edt n MET 71 Ca -0.04 1.02 -0.12 0.00 -1.81 0.00 0.00 57.70 56.76 2edt n MET 71 Cb 0.58 -2.01 -0.07 0.00 -0.71 0.00 0.00 33.22 31.02 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 1.30 0.12 -1.40 3.04 0.00 -2.00 -2.72 119.26 117.61 2edt h ALA 72 Ca 0.72 -0.12 0.42 0.00 0.00 0.00 0.00 54.91 55.92 2edt h ALA 72 Cb 2.30 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.97 2edt h ALA 72 CO -0.38 -0.26 0.96 -0.44 0.00 0.00 0.00 179.25 179.12 2edt h ASP 73 N -0.04 0.15 -2.43 0.00 5.19 0.16 -3.38 116.42 116.08 2edt h ASP 73 Ca 0.03 0.06 -0.57 0.00 -0.62 0.00 0.00 57.03 55.93 2edt h ASP 73 Cb 0.22 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 2edt h ASP 73 CO -0.00 -0.05 1.30 0.00 -3.12 0.00 0.00 179.24 177.37 2edt s ALA 74 N -5.13 3.04 0.00 3.45 0.00 -1.03 -4.68 121.76 117.41 2edt s ALA 74 Ca -0.06 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2edt s ALA 74 Cb 0.27 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2edt s ALA 74 CO 0.83 -2.34 0.00 0.41 0.00 0.00 0.00 175.76 174.66 2edt n GLY 75 N 5.19 0.02 2.70 0.00 0.00 -1.09 -4.97 105.19 107.05 2edt n GLY 75 Ca 0.24 0.55 -0.21 0.00 0.00 0.00 0.00 46.02 46.60 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 2.86 0.01 -0.18 1.61 2.12 -1.26 -2.86 118.70 120.99 2edt s GLU 76 Ca 0.00 0.28 -0.09 0.00 0.36 0.00 0.00 54.97 55.52 2edt s GLU 76 Cb 0.00 -0.87 -0.05 0.00 0.26 0.00 0.00 34.13 33.47 2edt s GLU 76 CO 0.00 -0.44 0.14 0.71 -0.54 0.00 0.00 175.26 175.12 2edt s TYR 77 N 2.20 3.46 0.07 5.30 1.51 -0.89 -3.37 117.35 125.63 2edt s TYR 77 Ca 0.04 0.39 0.09 0.00 -1.01 0.00 0.00 57.07 56.58 2edt s TYR 77 Cb -0.13 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 2edt s TYR 77 CO -0.06 0.40 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.03 2edt s LEU 78 N 0.03 2.35 -0.28 -1.29 1.02 0.22 -0.53 118.68 120.19 2edt s LEU 78 Ca 0.10 -0.59 0.02 0.00 0.02 0.00 0.00 54.13 53.67 2edt s LEU 78 Cb -0.11 -1.34 0.08 0.00 0.02 0.00 0.00 46.19 44.83 2edt s LEU 78 CO -0.00 0.23 -0.01 0.00 0.02 0.00 0.00 176.35 176.59 2edt s VAL 80 N 1.25 4.94 -0.30 0.00 1.01 -0.80 -2.56 120.40 123.94 2edt s VAL 80 Ca 0.01 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.48 2edt s VAL 80 Cb -0.19 -4.04 0.52 0.00 0.00 0.00 0.00 36.38 32.67 2edt s VAL 80 CO -0.10 0.05 1.49 0.00 0.00 0.00 0.00 175.10 176.55 2edt n GLY 82 N -1.10 1.29 0.09 0.00 0.00 -1.26 -4.51 105.19 99.70 2edt n GLY 82 Ca 0.34 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 2edt n GLY 82 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2edt h GLN 83 N 0.00 0.00 -6.17 1.61 4.20 -1.96 -3.47 115.11 109.32 2edt h GLN 83 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 2edt h GLN 83 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2edt h GLN 83 CO 0.00 0.36 -0.35 -1.21 -0.67 0.00 0.00 178.83 176.96 2edt s GLU 84 N -2.84 2.49 -0.23 1.46 0.41 -1.26 -5.14 118.70 113.58 2edt s GLU 84 Ca -0.03 -1.60 -0.28 0.00 -0.41 0.00 0.00 54.97 52.65 2edt s GLU 84 Cb 0.08 -2.36 0.15 0.00 -1.78 0.00 0.00 34.13 30.22 2edt s GLU 84 CO 0.81 -0.28 1.13 -0.98 -0.49 0.00 0.00 175.26 175.45 2edt s ARG 85 N -4.18 0.40 0.45 1.61 1.70 -1.26 -1.72 118.95 115.95 2edt s ARG 85 Ca 0.47 0.24 0.04 0.00 -0.47 0.00 0.00 55.73 56.02 2edt s ARG 85 Cb -0.03 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 2edt s ARG 85 CO 0.28 -0.10 0.01 -0.08 -1.08 0.00 0.00 175.30 174.33 2edt s THR 86 N -0.56 1.61 -0.10 4.99 -1.32 -1.06 -4.95 115.64 114.27 2edt s THR 86 Ca 0.03 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.40 2edt s THR 86 Cb -0.02 -2.63 0.03 0.00 -1.51 0.00 0.00 72.50 68.36 2edt s THR 86 CO -0.05 0.00 0.29 -0.94 -2.21 0.00 0.00 174.62 171.71 2edt s SER 87 N -3.78 -0.29 0.33 8.08 1.04 -1.26 -1.88 113.70 115.95 2edt s SER 87 Ca 0.23 0.52 0.03 0.00 0.48 0.00 0.00 55.95 57.21 2edt s SER 87 Cb 0.06 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2edt s SER 87 CO 0.12 -0.14 0.11 0.00 0.98 0.00 0.00 173.24 174.31 2edt s ALA 88 N -0.02 2.29 -0.19 5.32 0.00 0.31 -4.75 121.76 124.71 2edt s ALA 88 Ca -0.02 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.24 2edt s ALA 88 Cb -0.02 0.89 0.04 0.00 0.00 0.00 0.00 23.12 24.02 2edt s ALA 88 CO 0.01 -0.40 -0.12 0.99 0.00 0.00 0.00 175.76 176.23 2edt s THR 89 N -3.44 1.76 -0.12 0.00 2.01 -1.26 -2.09 115.64 112.49 2edt s THR 89 Ca 0.33 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2edt s THR 89 Cb 0.06 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2edt s THR 89 CO 0.15 0.25 0.10 -0.22 -0.69 0.00 0.00 174.62 174.21 2edt s LEU 90 N 1.36 4.14 -0.18 4.42 2.96 -1.14 -1.37 118.68 128.87 2edt s LEU 90 Ca -0.00 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2edt s LEU 90 Cb -0.16 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.55 2edt s LEU 90 CO -0.09 0.37 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.25 2edt s THR 91 N -0.83 2.31 -0.03 3.68 2.01 -0.13 -2.67 115.64 119.98 2edt s THR 91 Ca 0.13 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 61.12 2edt s THR 91 Cb -0.12 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 2edt s THR 91 CO 0.03 0.52 0.42 -0.63 -0.69 0.00 0.00 174.62 174.27 2edt s ILE 92 N 1.20 5.07 -0.23 1.82 -1.09 -1.26 0.98 121.20 127.69 2edt s ILE 92 Ca 0.02 0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 59.27 2edt s ILE 92 Cb -0.14 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2edt s ILE 92 CO -0.09 0.52 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.95 2edt s ARG 93 N -0.68 3.11 0.21 2.79 0.52 0.43 -4.89 118.95 120.43 2edt s ARG 93 Ca 0.24 -0.79 -0.32 0.00 -0.52 0.00 0.00 55.73 54.33 2edt s ARG 93 Cb -0.16 -2.95 -0.13 0.00 0.52 0.00 0.00 34.95 32.23 2edt s ARG 93 CO 0.12 -0.28 1.54 0.00 0.02 0.00 0.00 175.30 176.70 2edt n ALA 94 N 4.73 1.62 -1.75 2.13 0.00 -1.26 -0.14 120.51 125.84 2edt n ALA 94 Ca -0.18 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 2edt n ALA 94 Cb 0.49 -2.36 0.04 0.00 0.00 0.00 0.00 19.45 17.62 2edt n ALA 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2edt s LEU 95 N 0.45 3.85 0.00 0.00 1.43 -1.26 -4.81 118.68 118.34 2edt s LEU 95 Ca 0.73 2.71 0.15 0.00 -1.03 0.00 0.00 54.13 56.68 2edt s LEU 95 Cb -0.62 -4.30 0.75 0.00 0.03 0.00 0.00 46.19 42.05 2edt s LEU 95 CO 0.43 -1.54 1.40 -0.81 0.23 0.00 0.00 176.35 176.06 2edt n PRO 96 N -1.04 0.22 -1.35 1.29 -0.04 -1.26 -4.84 135.00 127.98 2edt n PRO 96 Ca 0.10 0.14 -0.60 0.00 -0.04 0.00 0.00 63.50 63.11 2edt n PRO 96 Cb 0.46 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 2edt n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2edt n SER 97 N -1.27 0.86 0.00 3.54 7.64 -1.26 -4.84 113.62 118.29 2edt n SER 97 Ca 0.07 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2edt n SER 97 Cb 0.11 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2edt n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edt n GLY 98 N 6.08 0.75 3.77 0.23 0.00 -1.26 -5.15 105.19 109.60 2edt n GLY 98 Ca 0.45 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2edt n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edt s PRO 99 N -2.00 4.10 0.76 1.61 0.04 -1.26 -4.99 135.00 133.25 2edt s PRO 99 Ca 0.00 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 2edt s PRO 99 Cb 0.00 -2.75 0.05 0.00 0.04 0.00 0.00 34.50 31.85 2edt s PRO 99 CO 0.00 -0.30 1.23 0.43 0.04 0.00 0.00 177.00 178.40 2edt n SER 100 N 0.20 1.37 -4.64 6.66 7.64 -1.26 -4.85 113.62 118.74 2edt n SER 100 Ca 0.04 0.66 -0.43 0.00 1.01 0.00 0.00 58.87 60.15 2edt n SER 100 Cb 0.46 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.10 2edt n SER 100 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2edt n SER 101 N -2.85 3.82 0.00 6.43 2.88 -1.26 -5.33 113.62 117.31 2edt n SER 101 Ca 0.14 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 2edt n SER 101 Cb 0.50 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2edt n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42