#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 0.42 -4.59 1.61 7.64 -1.26 -5.05 113.62 112.39 2edt n SER 2 Ca 0.00 0.06 -0.34 0.00 1.01 0.00 0.00 58.87 59.60 2edt n SER 2 Cb 0.00 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 62.95 2edt n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2edt s SER 3 N -5.40 4.72 -0.28 6.43 0.15 -1.26 -5.11 113.70 112.95 2edt s SER 3 Ca -0.03 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 2edt s SER 3 Cb 0.01 -1.23 0.09 0.00 -1.71 0.00 0.00 66.02 63.19 2edt s SER 3 CO 0.04 0.36 0.72 -0.83 1.20 0.00 0.00 173.24 174.73 2edt s GLY 4 N -0.77 -0.57 -0.77 9.45 0.00 -1.26 -5.11 107.32 108.29 2edt s GLY 4 Ca 0.12 2.51 -0.26 0.00 0.00 0.00 0.00 44.72 47.09 2edt s GLY 4 CO 0.02 2.50 1.28 -0.56 0.00 0.00 0.00 173.10 176.34 2edt s SER 5 N 1.74 6.21 -0.31 1.64 0.01 -1.26 -4.95 113.70 116.78 2edt s SER 5 Ca -0.09 -0.62 -0.31 0.00 1.31 0.00 0.00 55.95 56.24 2edt s SER 5 Cb -0.06 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 2edt s SER 5 CO -0.19 -1.77 2.24 -1.20 0.41 0.00 0.00 173.24 172.73 2edt n SER 6 N 9.19 2.68 0.00 2.44 7.64 -1.26 -4.80 113.62 129.52 2edt n SER 6 Ca 0.06 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2edt n SER 6 Cb 0.49 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2edt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edt n GLY 7 N 6.12 2.02 3.62 0.23 0.00 -1.26 -5.17 105.19 110.75 2edt n GLY 7 Ca 0.36 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 1.30 -0.63 -0.13 1.61 0.04 -1.26 -5.01 135.00 130.92 2edt s PRO 8 Ca 0.00 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 60.97 2edt s PRO 8 Cb 0.00 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 2edt s PRO 8 CO 0.00 -3.36 0.63 0.00 0.04 0.00 0.00 177.00 174.30 2edt s ALA 9 N -2.99 3.45 0.16 8.56 0.00 -1.26 -4.90 121.76 124.78 2edt s ALA 9 Ca 0.69 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.61 2edt s ALA 9 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2edt s ALA 9 CO 0.57 -0.27 0.03 0.15 0.00 0.00 0.00 175.76 176.23 2edt s LYS 10 N 1.23 2.53 -0.37 0.00 1.02 -1.26 -4.41 119.74 118.48 2edt s LYS 10 Ca 0.31 -1.01 -0.24 0.00 0.02 0.00 0.00 55.97 55.06 2edt s LYS 10 Cb -0.16 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 2edt s LYS 10 CO 0.13 0.48 0.82 -0.06 -0.92 0.00 0.00 175.35 175.80 2edt s PHE 11 N -1.66 3.09 -0.06 3.18 0.08 -1.26 -0.31 117.98 121.04 2edt s PHE 11 Ca 0.28 0.58 -0.06 0.00 0.12 0.00 0.00 56.93 57.85 2edt s PHE 11 Cb -0.10 -3.50 -0.28 0.00 -0.57 0.00 0.00 43.02 38.58 2edt s PHE 11 CO 0.20 -0.78 0.63 1.79 -0.10 0.00 0.00 175.22 176.95 2edt h THR 12 N 5.79 0.89 0.00 0.64 1.35 -1.91 -3.41 112.91 116.26 2edt h THR 12 Ca -0.24 -2.55 -0.30 0.00 -0.55 0.00 0.00 66.41 62.78 2edt h THR 12 Cb 1.09 2.66 -0.05 0.00 -1.73 0.00 0.00 68.15 70.12 2edt h THR 12 CO 0.93 0.83 -2.12 -0.62 -0.25 0.00 0.00 175.52 174.30 2edt n GLU 13 N -3.48 0.49 -0.84 4.72 -0.58 -1.26 -5.05 120.64 114.63 2edt n GLU 13 Ca -0.24 0.11 0.10 0.00 -0.42 0.00 0.00 57.16 56.72 2edt n GLU 13 Cb 1.06 -1.39 -0.05 0.00 -0.57 0.00 0.00 31.44 30.49 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 2.55 -2.86 3.50 0.62 0.00 -1.26 -4.91 105.19 102.83 2edt n GLY 14 Ca -0.35 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 -6.04 0.65 -0.12 0.99 1.43 -1.26 -4.79 118.68 109.54 2edt s LEU 15 Ca 0.00 1.30 -0.06 0.00 -1.03 0.00 0.00 54.13 54.34 2edt s LEU 15 Cb 0.00 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 43.10 2edt s LEU 15 CO 0.00 -4.19 0.29 0.00 0.23 0.00 0.00 176.35 172.68 2edt s ARG 16 N -4.67 0.24 0.08 1.70 1.70 -1.26 -4.96 118.95 111.78 2edt s ARG 16 Ca 0.68 0.62 -0.32 0.00 -0.47 0.00 0.00 55.73 56.24 2edt s ARG 16 Cb -0.22 -0.08 -0.11 0.00 -0.57 0.00 0.00 34.95 33.97 2edt s ARG 16 CO 0.62 -0.18 1.84 0.27 -1.08 0.00 0.00 175.30 176.77 2edt n ASN 17 N 4.38 3.85 -3.96 -2.89 0.23 -1.26 -4.76 115.26 110.84 2edt n ASN 17 Ca -0.23 0.98 -0.20 0.00 -0.53 0.00 0.00 54.58 54.61 2edt n ASN 17 Cb 0.53 -1.50 -0.09 0.00 -2.08 0.00 0.00 39.78 36.64 2edt n ASN 17 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2edt s GLU 18 N 2.99 1.66 0.29 -3.83 -1.05 -1.08 -4.95 118.70 112.74 2edt s GLU 18 Ca 0.84 -1.96 0.03 0.00 -0.15 0.00 0.00 54.97 53.73 2edt s GLU 18 Cb -0.54 -0.16 -0.06 0.00 -0.44 0.00 0.00 34.13 32.93 2edt s GLU 18 CO 0.41 -0.47 0.05 -1.83 0.95 0.00 0.00 175.26 174.37 2edt s GLU 19 N -3.77 1.55 0.25 -4.83 -1.05 -1.26 0.15 118.70 109.74 2edt s GLU 19 Ca 0.34 -1.84 -0.21 0.00 -0.15 0.00 0.00 54.97 53.11 2edt s GLU 19 Cb 0.04 -0.71 0.05 0.00 -0.44 0.00 0.00 34.13 33.08 2edt s GLU 19 CO 0.18 -0.19 0.88 0.00 0.95 0.00 0.00 175.26 177.08 2edt s ALA 20 N -3.41 -1.29 -0.11 -0.84 0.00 0.38 -4.83 121.76 111.66 2edt s ALA 20 Ca 0.35 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 2edt s ALA 20 Cb 0.08 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2edt s ALA 20 CO 0.14 -1.03 0.01 0.08 0.00 0.00 0.00 175.76 174.96 2edt s VAL 21 N -2.88 4.41 0.24 0.00 1.01 -1.26 0.11 120.40 122.02 2edt s VAL 21 Ca 0.15 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 2edt s VAL 21 Cb -0.04 -2.89 -0.17 0.00 0.00 0.00 0.00 36.38 33.29 2edt s VAL 21 CO 0.07 0.57 0.48 -0.62 0.00 0.00 0.00 175.10 175.60 2edt n GLU 22 N 2.53 0.08 0.00 2.72 1.02 -0.08 -0.76 120.64 126.15 2edt n GLU 22 Ca -0.18 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2edt n GLU 22 Cb 0.53 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 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 2.00 1.67 2.47 0.62 0.00 0.93 -4.73 105.19 108.15 2edt n GLY 23 Ca 0.17 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.36 -3.99 4.61 0.00 0.06 -2.99 120.51 115.85 2edt n ALA 24 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 53.44 52.44 2edt n ALA 24 Cb 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.79 2.03 1.09 0.00 2.01 -1.26 -2.06 115.64 115.65 2edt s THR 25 Ca 0.30 -2.03 -0.18 0.00 0.31 0.00 0.00 61.69 60.09 2edt s THR 25 Cb -0.05 -2.43 0.12 0.00 0.01 0.00 0.00 72.50 70.14 2edt s THR 25 CO 0.25 -0.48 0.02 0.00 -0.69 0.00 0.00 174.62 173.72 2edt n ALA 26 N 4.39 -3.13 -3.40 7.40 0.00 -1.26 -4.82 120.51 119.70 2edt n ALA 26 Ca -0.01 -1.24 -0.14 0.00 0.00 0.00 0.00 53.44 52.06 2edt n ALA 26 Cb 0.42 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 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 -3.40 0.30 -0.09 0.00 1.75 -1.26 -4.14 119.30 112.46 2edt s MET 27 Ca 0.48 0.24 0.04 0.00 -1.25 0.00 0.00 55.69 55.20 2edt s MET 27 Cb -0.08 -0.72 -0.00 0.00 2.84 0.00 0.00 34.83 36.87 2edt s MET 27 CO 0.54 -0.77 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.39 2edt s LEU 28 N 2.44 2.11 0.09 4.11 1.43 -1.06 -4.99 118.68 122.81 2edt s LEU 28 Ca 0.10 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2edt s LEU 28 Cb -0.15 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2edt s LEU 28 CO -0.20 0.18 -0.05 -1.66 0.23 0.00 0.00 176.35 174.85 2edt s TRP 29 N 0.24 0.79 -0.13 0.29 1.48 -1.26 -0.26 118.94 120.09 2edt s TRP 29 Ca -0.16 -0.98 -0.29 0.00 -1.06 0.00 0.00 56.10 53.62 2edt s TRP 29 Cb -0.17 -0.48 0.07 0.00 -1.16 0.00 0.00 33.47 31.73 2edt s TRP 29 CO 0.08 -0.23 0.70 0.00 -4.06 0.00 0.00 176.95 173.43 2edt s GLU 31 N -0.64 3.25 0.00 0.00 2.02 -1.26 -0.71 118.70 121.36 2edt s GLU 31 Ca -0.07 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.23 2edt s GLU 31 Cb -0.02 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 2edt s GLU 31 CO 0.07 0.50 -0.05 -0.51 0.02 0.00 0.00 175.26 175.29 2edt s LEU 32 N -3.23 2.05 0.60 1.80 1.43 -0.31 -3.31 118.68 117.72 2edt s LEU 32 Ca 0.33 -0.16 0.28 0.00 -1.03 0.00 0.00 54.13 53.55 2edt s LEU 32 Cb -0.11 -0.20 1.03 0.00 0.03 0.00 0.00 46.19 46.94 2edt s LEU 32 CO 0.27 0.00 1.39 -1.28 0.23 0.00 0.00 176.35 176.96 2edt h SER 33 N 5.76 0.00 -5.09 2.29 0.87 -0.99 -3.41 113.55 112.98 2edt h SER 33 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2edt h SER 33 Cb 1.20 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.07 2edt h SER 33 CO 0.49 0.00 0.08 -1.59 -0.53 0.00 0.00 176.83 175.27 2edt s LYS 34 N -4.48 1.56 -0.42 2.24 -2.85 -1.26 -4.96 119.74 109.56 2edt s LYS 34 Ca -0.03 -0.98 -0.29 0.00 -1.00 0.00 0.00 55.97 53.68 2edt s LYS 34 Cb 0.15 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.47 2edt s LYS 34 CO 0.50 -0.68 1.42 0.08 0.10 0.00 0.00 175.35 176.77 2edt s VAL 35 N -3.92 3.88 0.03 1.79 1.01 -1.26 -4.70 120.40 117.24 2edt s VAL 35 Ca 0.12 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2edt s VAL 35 Cb -0.03 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2edt s VAL 35 CO 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 175.10 174.32 2edt s ALA 36 N 5.53 0.30 -0.32 5.51 0.00 -1.26 -5.01 121.76 126.51 2edt s ALA 36 Ca 0.61 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 2edt s ALA 36 Cb -0.14 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2edt s ALA 36 CO 0.32 -0.21 1.68 -1.25 0.00 0.00 0.00 175.76 176.30 2edt s PRO 37 N -2.23 3.50 0.33 0.00 0.04 -1.26 -5.00 135.00 130.37 2edt s PRO 37 Ca -0.08 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 2edt s PRO 37 Cb -0.05 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2edt s PRO 37 CO -0.03 -1.65 0.55 0.14 0.04 0.00 0.00 177.00 176.04 2edt s VAL 38 N 6.17 5.08 -0.34 -0.36 -7.23 -1.26 -4.46 120.40 118.00 2edt s VAL 38 Ca 0.74 -0.29 0.01 0.00 -1.81 0.00 0.00 61.98 60.62 2edt s VAL 38 Cb -0.21 -3.82 0.11 0.00 0.56 0.00 0.00 36.38 33.01 2edt s VAL 38 CO 0.32 -0.49 0.11 -1.61 -0.31 0.00 0.00 175.10 173.12 2edt s GLU 39 N -4.09 0.94 0.30 4.82 0.41 0.79 -4.97 118.70 116.90 2edt s GLU 39 Ca 0.41 -1.36 -0.29 0.00 -0.41 0.00 0.00 54.97 53.32 2edt s GLU 39 Cb -0.10 -2.26 -0.10 0.00 -1.78 0.00 0.00 34.13 29.89 2edt s GLU 39 CO 0.35 -1.00 1.28 -1.58 -0.49 0.00 0.00 175.26 173.81 2edt s TRP 40 N 1.30 3.16 0.00 1.61 0.52 -1.26 -2.86 118.94 121.41 2edt s TRP 40 Ca 0.11 1.42 -0.13 0.00 0.02 0.00 0.00 56.10 57.52 2edt s TRP 40 Cb -0.19 -3.62 0.02 0.00 -1.15 0.00 0.00 33.47 28.53 2edt s TRP 40 CO -0.18 -1.69 0.26 1.03 0.02 0.00 0.00 176.95 176.38 2edt s ARG 41 N -1.46 0.66 -0.64 4.98 0.52 -0.40 -2.61 118.95 120.00 2edt s ARG 41 Ca 0.50 -0.33 0.05 0.00 -0.52 0.00 0.00 55.73 55.42 2edt s ARG 41 Cb -0.38 0.28 0.16 0.00 0.52 0.00 0.00 34.95 35.54 2edt s ARG 41 CO 0.49 -0.18 0.44 0.21 0.02 0.00 0.00 175.30 176.27 2edt s LYS 42 N -1.67 2.19 4.64 3.54 2.20 -1.20 -0.27 119.74 129.18 2edt s LYS 42 Ca -0.12 -3.07 0.00 0.00 -0.36 0.00 0.00 55.97 52.42 2edt s LYS 42 Cb -0.05 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 2edt s LYS 42 CO 0.02 -1.27 0.00 0.41 -0.36 0.00 0.00 175.35 174.14 2edt n GLY 43 N 2.26 2.87 0.07 5.54 0.00 -1.22 0.07 105.19 114.78 2edt n GLY 43 Ca 0.19 0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.61 2edt n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 44 N 9.23 0.10 -2.64 1.61 -0.04 -1.26 -4.76 135.00 137.24 2edt n PRO 44 Ca 0.00 0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 63.60 2edt n PRO 44 Cb 0.00 -1.70 0.04 0.00 -0.04 0.00 0.00 33.50 31.80 2edt n PRO 44 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2edt s GLU 45 N -3.17 2.50 -0.24 0.54 0.41 0.11 -5.10 118.70 113.75 2edt s GLU 45 Ca 0.05 -0.81 -0.02 0.00 -0.41 0.00 0.00 54.97 53.78 2edt s GLU 45 Cb 0.09 -2.48 0.08 0.00 -1.78 0.00 0.00 34.13 30.04 2edt s GLU 45 CO 0.33 -0.75 0.07 0.54 -0.49 0.00 0.00 175.26 174.95 2edt s ASN 46 N -4.44 3.33 0.34 -0.19 2.20 -1.26 -3.22 114.94 111.70 2edt s ASN 46 Ca 0.58 -1.13 -0.04 0.00 -0.94 0.00 0.00 52.86 51.33 2edt s ASN 46 Cb -0.10 -0.65 -0.04 0.00 -2.00 0.00 0.00 41.25 38.46 2edt s ASN 46 CO 0.39 -0.35 0.60 -0.76 -2.94 0.00 0.00 177.10 174.03 2edt s LEU 47 N 1.81 3.97 -0.20 3.54 1.43 -1.07 -4.95 118.68 123.21 2edt s LEU 47 Ca 0.03 0.70 -0.32 0.00 -1.03 0.00 0.00 54.13 53.51 2edt s LEU 47 Cb -0.17 -3.55 0.15 0.00 0.03 0.00 0.00 46.19 42.65 2edt s LEU 47 CO -0.17 -0.29 1.20 0.00 0.23 0.00 0.00 176.35 177.32 2edt s ARG 48 N -3.96 0.31 -0.33 1.70 1.70 -1.26 -4.31 118.95 112.80 2edt s ARG 48 Ca 0.44 -0.04 -0.31 0.00 -0.47 0.00 0.00 55.73 55.35 2edt s ARG 48 Cb -0.10 0.14 -0.08 0.00 -0.57 0.00 0.00 34.95 34.34 2edt s ARG 48 CO 0.34 -0.12 2.25 -3.47 -1.08 0.00 0.00 175.30 173.22 2edt n ASP 49 N 0.21 2.57 0.00 -2.89 2.03 -1.26 -4.70 116.55 112.51 2edt n ASP 49 Ca -0.02 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2edt n ASP 49 Cb 0.58 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 2edt n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2edt n GLY 50 N 6.15 4.41 0.00 0.27 0.00 -0.99 -5.00 105.19 110.03 2edt n GLY 50 Ca 0.37 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 2edt n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2edt n ASP 51 N 0.00 0.03 -0.33 1.61 -0.08 -1.26 -4.59 116.55 111.93 2edt n ASP 51 Ca 0.00 0.10 0.05 0.00 -1.51 0.00 0.00 54.79 53.43 2edt n ASP 51 Cb 0.00 -0.50 0.20 0.00 2.34 0.00 0.00 41.12 43.16 2edt n ASP 51 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2edt h ARG 52 N -0.01 0.86 -5.14 -0.67 0.11 -1.95 -3.38 114.38 104.21 2edt h ARG 52 Ca 0.00 -0.05 -0.64 0.00 0.10 0.00 0.00 59.98 59.39 2edt h ARG 52 Cb 0.01 -0.20 -0.15 0.00 1.11 0.00 0.00 29.97 30.74 2edt h ARG 52 CO 0.00 0.57 -0.19 0.71 0.10 0.00 0.00 179.97 181.16 2edt s TYR 53 N -6.00 3.22 -0.74 4.08 2.02 -1.26 -2.18 117.35 116.50 2edt s TYR 53 Ca -0.12 0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.70 2edt s TYR 53 Cb 0.21 -2.68 0.18 0.00 -0.40 0.00 0.00 41.96 39.27 2edt s TYR 53 CO 0.79 -0.35 0.72 0.42 -1.57 0.00 0.00 175.55 175.57 2edt s ILE 54 N 2.14 5.37 0.18 2.71 1.01 -0.24 -2.36 121.20 130.02 2edt s ILE 54 Ca 0.15 -2.01 -0.13 0.00 0.00 0.00 0.00 60.65 58.66 2edt s ILE 54 Cb -0.16 -4.46 -0.07 0.00 0.01 0.00 0.00 42.46 37.78 2edt s ILE 54 CO 0.11 -1.03 0.56 -0.76 0.00 0.00 0.00 174.94 173.82 2edt s LEU 55 N 0.96 4.27 0.04 2.97 2.01 -1.26 -1.70 118.68 125.97 2edt s LEU 55 Ca 0.14 1.04 -0.09 0.00 0.01 0.00 0.00 54.13 55.24 2edt s LEU 55 Cb -0.16 -3.44 0.00 0.00 0.01 0.00 0.00 46.19 42.60 2edt s LEU 55 CO -0.04 0.03 0.18 -0.13 1.01 0.00 0.00 176.35 177.40 2edt s ARG 56 N -2.26 0.67 -0.25 1.70 0.52 0.29 -5.01 118.95 114.60 2edt s ARG 56 Ca 0.41 -0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 54.98 2edt s ARG 56 Cb -0.14 0.27 0.14 0.00 0.52 0.00 0.00 34.95 35.75 2edt s ARG 56 CO 0.20 -0.19 0.38 -1.14 0.02 0.00 0.00 175.30 174.57 2edt s GLN 57 N -2.50 0.36 -0.51 3.54 0.74 -1.26 -0.81 119.66 119.22 2edt s GLN 57 Ca -0.06 0.45 0.02 0.00 0.05 0.00 0.00 55.36 55.83 2edt s GLN 57 Cb -0.01 -0.44 0.55 0.00 1.10 0.00 0.00 33.01 34.20 2edt s GLN 57 CO -0.04 -0.72 1.88 0.39 -0.55 0.00 0.00 175.29 176.25 2edt n GLU 58 N 5.36 2.47 0.00 1.67 -0.58 -1.16 -5.01 120.64 123.39 2edt n GLU 58 Ca -0.03 -3.22 0.00 0.00 -0.42 0.00 0.00 57.16 53.49 2edt n GLU 58 Cb 0.50 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 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 -1.03 0.25 0.25 0.62 0.00 -1.26 -4.70 105.19 99.32 2edt n GLY 59 Ca 0.57 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 0.31 -2.96 2.61 1.35 -1.85 -3.42 112.91 108.95 2edt h THR 60 Ca 0.00 -0.86 -0.62 0.00 -0.55 0.00 0.00 66.41 64.38 2edt h THR 60 Cb 0.00 1.66 -0.06 0.00 -1.73 0.00 0.00 68.15 68.02 2edt h THR 60 CO 0.00 0.12 -0.28 -0.60 -0.25 0.00 0.00 175.52 174.51 2edt s ARG 61 N -3.65 3.85 0.32 4.72 3.52 -1.26 -1.16 118.95 125.28 2edt s ARG 61 Ca 0.01 0.25 0.10 0.00 -0.13 0.00 0.00 55.73 55.96 2edt s ARG 61 Cb 0.10 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 2edt s ARG 61 CO 0.60 0.65 -0.03 0.00 -0.81 0.00 0.00 175.30 175.71 2edt s GLU 63 N -3.67 0.18 -0.10 0.00 2.02 0.01 -2.73 118.70 114.40 2edt s GLU 63 Ca 0.33 0.46 0.03 0.00 0.02 0.00 0.00 54.97 55.81 2edt s GLU 63 Cb -0.01 -0.11 0.01 0.00 0.10 0.00 0.00 34.13 34.11 2edt s GLU 63 CO 0.18 -0.15 -0.20 -1.17 0.02 0.00 0.00 175.26 173.95 2edt s LEU 64 N 1.10 1.94 -0.12 1.80 2.96 0.64 -0.55 118.68 126.46 2edt s LEU 64 Ca -0.08 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 2edt s LEU 64 Cb -0.10 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 2edt s LEU 64 CO -0.07 0.09 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.77 2edt s GLN 65 N 0.63 3.21 -0.73 1.98 -0.21 -0.69 -2.55 119.66 121.31 2edt s GLN 65 Ca -0.13 -0.78 -0.04 0.00 0.02 0.00 0.00 55.36 54.43 2edt s GLN 65 Cb -0.16 -2.49 0.19 0.00 1.00 0.00 0.00 33.01 31.54 2edt s GLN 65 CO 0.04 0.16 0.58 0.42 -2.12 0.00 0.00 175.29 174.37 2edt s ILE 66 N 0.43 4.18 -0.11 1.08 1.01 -1.26 -1.08 121.20 125.46 2edt s ILE 66 Ca -0.13 -3.11 -0.29 0.00 0.00 0.00 0.00 60.65 57.11 2edt s ILE 66 Cb -0.17 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2edt s ILE 66 CO 0.06 -0.95 1.80 0.00 0.00 0.00 0.00 174.94 175.84 2edt n GLY 68 N 4.64 0.71 3.79 0.00 0.00 -1.23 -4.86 105.19 108.24 2edt n GLY 68 Ca 0.20 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.34 3.30 -0.02 0.99 1.43 -0.87 -4.76 118.68 118.39 2edt s LEU 69 Ca 0.00 1.81 -0.29 0.00 -1.03 0.00 0.00 54.13 54.63 2edt s LEU 69 Cb 0.00 -4.53 0.10 0.00 0.03 0.00 0.00 46.19 41.80 2edt s LEU 69 CO 0.00 -1.51 0.86 0.00 0.23 0.00 0.00 176.35 175.94 2edt s ALA 70 N -2.65 -1.82 0.31 4.21 0.00 -1.26 -0.05 121.76 120.50 2edt s ALA 70 Ca 0.63 1.10 0.12 0.00 0.00 0.00 0.00 51.96 53.81 2edt s ALA 70 Cb -0.17 0.21 1.01 0.00 0.00 0.00 0.00 23.12 24.17 2edt s ALA 70 CO 0.46 -0.59 1.43 -1.33 0.00 0.00 0.00 175.76 175.72 2edt n MET 71 N 0.03 -0.06 0.03 0.00 2.81 -1.26 0.97 117.12 119.64 2edt n MET 71 Ca -0.11 1.29 -0.11 0.00 -1.81 0.00 0.00 57.70 56.97 2edt n MET 71 Cb 0.61 -2.21 -0.05 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 1.81 -0.02 -0.99 3.04 0.00 -2.00 -2.47 119.26 118.64 2edt h ALA 72 Ca 0.68 0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.98 2edt h ALA 72 Cb 1.68 0.10 -0.18 0.00 0.00 0.00 0.00 17.79 19.39 2edt h ALA 72 CO -0.76 -0.53 0.36 -0.25 0.00 0.00 0.00 179.25 178.07 2edt n ASP 73 N -5.16 0.19 -4.60 0.00 9.92 0.27 -4.17 116.55 113.01 2edt n ASP 73 Ca -0.06 1.65 -0.43 0.00 -0.53 0.00 0.00 54.79 55.43 2edt n ASP 73 Cb 0.10 -0.74 -0.03 0.00 -0.64 0.00 0.00 41.12 39.81 2edt n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2edt s ALA 74 N -5.66 2.66 0.00 2.24 0.00 -0.93 -4.60 121.76 115.46 2edt s ALA 74 Ca -0.10 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2edt s ALA 74 Cb 0.32 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2edt s ALA 74 CO 0.77 -2.90 0.00 0.41 0.00 0.00 0.00 175.76 174.03 2edt n GLY 75 N 5.75 -0.22 3.00 0.00 0.00 -1.22 -4.97 105.19 107.54 2edt n GLY 75 Ca 0.30 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.75 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 1.60 0.28 -0.16 1.61 2.12 -1.26 -3.54 118.70 119.35 2edt s GLU 76 Ca 0.00 0.65 -0.07 0.00 0.36 0.00 0.00 54.97 55.91 2edt s GLU 76 Cb 0.00 -0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.05 2edt s GLU 76 CO 0.00 -0.48 0.08 0.71 -0.54 0.00 0.00 175.26 175.03 2edt s TYR 77 N 2.51 3.32 0.02 5.30 1.51 -1.08 -3.38 117.35 125.55 2edt s TYR 77 Ca 0.06 0.20 0.07 0.00 -1.01 0.00 0.00 57.07 56.39 2edt s TYR 77 Cb -0.14 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 2edt s TYR 77 CO -0.13 0.31 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.91 2edt s LEU 78 N -0.02 2.49 -0.28 -1.29 1.02 0.63 -0.39 118.68 120.84 2edt s LEU 78 Ca 0.07 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.82 2edt s LEU 78 Cb -0.12 -1.46 0.07 0.00 0.02 0.00 0.00 46.19 44.70 2edt s LEU 78 CO 0.01 0.28 -0.04 0.00 0.02 0.00 0.00 176.35 176.62 2edt s VAL 80 N 1.13 4.98 -0.22 0.00 1.01 -1.13 -2.07 120.40 124.10 2edt s VAL 80 Ca -0.01 1.02 0.12 0.00 0.00 0.00 0.00 61.98 63.11 2edt s VAL 80 Cb -0.19 -3.81 0.44 0.00 0.00 0.00 0.00 36.38 32.82 2edt s VAL 80 CO -0.07 0.49 1.19 0.00 0.00 0.00 0.00 175.10 176.71 2edt n GLY 82 N -0.76 1.07 0.10 0.00 0.00 -1.26 -4.45 105.19 99.89 2edt n GLY 82 Ca 0.25 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 0.18 -6.74 1.61 1.08 -1.97 -3.47 115.11 105.80 2edt h GLN 83 Ca 0.00 -0.30 -0.45 0.00 -1.45 0.00 0.00 58.65 56.44 2edt h GLN 83 Cb 0.00 0.11 0.04 0.00 -0.05 0.00 0.00 27.48 27.59 2edt h GLN 83 CO 0.00 0.99 -0.08 -1.21 -0.95 0.00 0.00 178.83 177.58 2edt s GLU 84 N -2.61 2.35 -0.26 1.46 8.01 -1.26 -5.13 118.70 121.25 2edt s GLU 84 Ca -0.09 -1.23 -0.27 0.00 0.01 0.00 0.00 54.97 53.39 2edt s GLU 84 Cb 0.07 -2.57 0.16 0.00 -4.31 0.00 0.00 34.13 27.48 2edt s GLU 84 CO 0.83 -0.81 1.22 -0.98 0.01 0.00 0.00 175.26 175.54 2edt s ARG 85 N -4.71 0.29 0.15 1.61 1.70 -1.26 -2.19 118.95 114.54 2edt s ARG 85 Ca 0.60 0.22 0.07 0.00 -0.47 0.00 0.00 55.73 56.15 2edt s ARG 85 Cb -0.08 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 2edt s ARG 85 CO 0.38 -0.06 -0.15 -0.08 -1.08 0.00 0.00 175.30 174.32 2edt s THR 86 N -0.34 1.50 0.21 4.99 -1.32 -0.88 -4.97 115.64 114.82 2edt s THR 86 Ca 0.05 -1.86 0.09 0.00 -1.21 0.00 0.00 61.69 58.76 2edt s THR 86 Cb -0.03 -1.70 -0.05 0.00 -1.51 0.00 0.00 72.50 69.21 2edt s THR 86 CO -0.08 -0.43 -0.18 -0.94 -2.21 0.00 0.00 174.62 170.78 2edt s SER 87 N -2.67 2.91 0.28 8.08 1.04 -1.26 -0.29 113.70 121.79 2edt s SER 87 Ca 0.13 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2edt s SER 87 Cb -0.04 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 2edt s SER 87 CO 0.04 -0.05 0.35 0.00 0.98 0.00 0.00 173.24 174.57 2edt n ALA 88 N -0.13 -0.08 -3.70 5.32 0.00 0.47 -4.76 120.51 117.64 2edt n ALA 88 Ca -0.10 -1.36 -0.27 0.00 0.00 0.00 0.00 53.44 51.72 2edt n ALA 88 Cb 0.59 1.10 -0.17 0.00 0.00 0.00 0.00 19.45 20.97 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 -2.82 0.30 0.37 0.00 2.01 -1.26 -2.62 115.64 111.61 2edt s THR 89 Ca 0.25 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 2edt s THR 89 Cb -0.00 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 2edt s THR 89 CO 0.18 -0.19 0.66 -0.22 -0.69 0.00 0.00 174.62 174.37 2edt s LEU 90 N 1.97 3.90 -0.03 4.42 2.96 -1.23 -2.62 118.68 128.06 2edt s LEU 90 Ca 0.01 0.86 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 2edt s LEU 90 Cb -0.16 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 42.81 2edt s LEU 90 CO -0.08 -0.34 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.62 2edt s THR 91 N -2.32 0.84 0.10 3.68 2.01 0.12 -3.37 115.64 116.70 2edt s THR 91 Ca 0.46 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2edt s THR 91 Cb -0.10 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2edt s THR 91 CO 0.34 0.26 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.85 2edt s ILE 92 N 0.17 3.71 -0.23 1.82 -1.09 -1.26 0.14 121.20 124.47 2edt s ILE 92 Ca -0.03 -1.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.25 2edt s ILE 92 Cb -0.09 -2.76 0.06 0.00 -1.58 0.00 0.00 42.46 38.09 2edt s ILE 92 CO 0.01 0.10 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.62 2edt s ARG 93 N -2.32 1.73 0.08 2.79 1.81 0.30 -4.85 118.95 118.49 2edt s ARG 93 Ca 0.24 -0.98 -0.36 0.00 -1.72 0.00 0.00 55.73 52.90 2edt s ARG 93 Cb -0.11 -2.57 -0.18 0.00 -0.45 0.00 0.00 34.95 31.64 2edt s ARG 93 CO 0.16 -0.57 1.08 0.00 -0.68 0.00 0.00 175.30 175.30 2edt n ALA 94 N 4.66 -2.35 -0.89 2.13 0.00 -1.26 -0.90 120.51 121.90 2edt n ALA 94 Ca -0.13 0.53 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 2edt n ALA 94 Cb 0.44 -1.87 0.14 0.00 0.00 0.00 0.00 19.45 18.17 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 0.63 2.95 0.97 0.00 1.43 -1.26 -4.78 118.68 118.61 2edt s LEU 95 Ca 0.82 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.94 2edt s LEU 95 Cb -1.07 -4.56 0.17 0.00 0.03 0.00 0.00 46.19 40.76 2edt s LEU 95 CO 0.54 -2.79 1.09 -2.16 0.23 0.00 0.00 176.35 173.26 2edt s PRO 96 N -4.60 0.66 -0.23 1.29 0.04 -1.26 -4.97 135.00 125.93 2edt s PRO 96 Ca 0.67 0.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 2edt s PRO 96 Cb -0.22 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2edt s PRO 96 CO 0.56 -2.60 1.14 -1.12 0.04 0.00 0.00 177.00 175.02 2edt s SER 97 N -3.45 6.98 0.00 6.66 0.01 -1.26 -4.82 113.70 117.82 2edt s SER 97 Ca 0.65 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2edt s SER 97 Cb -0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2edt s SER 97 CO 0.57 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2edt n GLY 98 N 3.59 0.32 0.21 3.44 0.00 -1.26 -4.96 105.19 106.53 2edt n GLY 98 Ca 0.13 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.65 1.61 0.13 -2.03 -3.42 132.00 123.64 2edt h PRO 99 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 2edt h PRO 99 Cb 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 30.79 2edt h PRO 99 CO 0.00 0.00 -0.82 -1.12 -0.23 0.00 0.00 178.00 175.83 2edt s SER 100 N -4.97 2.04 0.41 1.44 0.01 -1.26 -5.14 113.70 106.23 2edt s SER 100 Ca 0.02 -0.35 -0.15 0.00 1.31 0.00 0.00 55.95 56.79 2edt s SER 100 Cb 0.09 -0.93 -0.08 0.00 0.21 0.00 0.00 66.02 65.31 2edt s SER 100 CO 0.46 0.04 0.84 -0.94 0.41 0.00 0.00 173.24 174.05 2edt s SER 101 N 0.73 6.70 0.00 2.44 1.04 -1.26 -4.77 113.70 118.58 2edt s SER 101 Ca -0.13 1.38 0.27 0.00 0.48 0.00 0.00 55.95 57.95 2edt s SER 101 Cb -0.16 -2.42 0.79 0.00 0.10 0.00 0.00 66.02 64.33 2edt s SER 101 CO 0.03 -0.38 1.60 0.61 0.98 0.00 0.00 173.24 176.08