#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 3.90 -0.95 1.61 0.01 -1.26 -5.09 113.70 111.93 2edt s SER 2 Ca 0.00 -1.14 -0.06 0.00 1.31 0.00 0.00 55.95 56.05 2edt s SER 2 Cb 0.00 -0.41 0.24 0.00 0.21 0.00 0.00 66.02 66.05 2edt s SER 2 CO 0.00 -0.24 0.88 -0.44 0.41 0.00 0.00 173.24 173.85 2edt s SER 3 N -3.66 6.55 -0.30 2.44 0.01 -1.26 -4.97 113.70 112.52 2edt s SER 3 Ca 0.34 -3.47 -0.18 0.00 1.31 0.00 0.00 55.95 53.94 2edt s SER 3 Cb 0.02 -2.06 0.21 0.00 0.21 0.00 0.00 66.02 64.41 2edt s SER 3 CO 0.18 -0.29 1.35 -0.83 0.41 0.00 0.00 173.24 174.05 2edt s GLY 4 N 0.79 0.65 0.07 3.44 0.00 -1.26 -5.09 107.32 105.91 2edt s GLY 4 Ca 0.27 3.87 -0.01 0.00 0.00 0.00 0.00 44.72 48.84 2edt s GLY 4 CO -0.09 2.59 -0.02 -1.26 0.00 0.00 0.00 173.10 174.32 2edt n SER 5 N 2.64 0.99 -0.03 1.64 2.88 -1.26 -4.84 113.62 115.64 2edt n SER 5 Ca -0.15 0.13 -0.13 0.00 -1.33 0.00 0.00 58.87 57.38 2edt n SER 5 Cb 0.56 -0.31 -0.07 0.00 -0.75 0.00 0.00 64.21 63.64 2edt n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2edt h SER 6 N -0.05 -1.51 0.00 -3.46 0.02 -2.05 -3.47 113.55 103.02 2edt h SER 6 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2edt h SER 6 Cb 0.05 0.61 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2edt h SER 6 CO 0.00 -0.44 0.00 0.61 -1.14 0.00 0.00 176.83 175.86 2edt n GLY 7 N -1.43 2.12 1.85 -3.77 0.00 -1.26 -5.17 105.19 97.53 2edt n GLY 7 Ca -0.04 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 2edt n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 8 N -0.82 -2.15 -3.41 1.61 -0.04 -1.26 -5.00 135.00 123.93 2edt n PRO 8 Ca 0.00 -0.92 -0.41 0.00 -0.04 0.00 0.00 63.50 62.13 2edt n PRO 8 Cb 0.00 -0.87 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 2edt n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2edt s ALA 9 N -3.00 3.49 -0.20 0.55 0.00 -1.26 -4.72 121.76 116.62 2edt s ALA 9 Ca 0.37 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 2edt s ALA 9 Cb -0.04 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 2edt s ALA 9 CO 0.29 -1.15 0.05 0.15 0.00 0.00 0.00 175.76 175.10 2edt s LYS 10 N 1.99 3.85 0.03 0.00 1.02 -1.26 -4.08 119.74 121.28 2edt s LYS 10 Ca 0.11 -0.40 -0.33 0.00 0.02 0.00 0.00 55.97 55.36 2edt s LYS 10 Cb -0.17 -3.21 -0.12 0.00 -0.52 0.00 0.00 37.83 33.81 2edt s LYS 10 CO 0.12 0.14 1.78 1.19 -0.92 0.00 0.00 175.35 177.66 2edt n PHE 11 N 3.92 2.36 -0.08 3.18 3.01 -1.26 0.36 117.46 128.95 2edt n PHE 11 Ca -0.16 0.05 -0.23 0.00 1.01 0.00 0.00 57.45 58.12 2edt n PHE 11 Cb 0.52 -2.64 -0.12 0.00 -0.01 0.00 0.00 39.48 37.23 2edt n PHE 11 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2edt n THR 12 N 4.52 1.60 -0.06 4.37 -2.24 -1.08 -4.63 114.28 116.77 2edt n THR 12 Ca 0.20 -0.42 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 2edt n THR 12 Cb 0.31 -1.78 -0.11 0.00 -2.10 0.00 0.00 70.33 66.64 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 -3.84 1.44 -1.30 -0.78 -0.58 -1.26 -5.04 120.64 109.27 2edt n GLU 13 Ca -0.40 -0.03 0.17 0.00 -0.42 0.00 0.00 57.16 56.48 2edt n GLU 13 Cb 0.91 -1.36 -0.06 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 2.03 -2.50 3.43 0.62 0.00 -1.26 -4.88 105.19 102.63 2edt n GLY 14 Ca -0.19 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 -6.98 -0.26 -0.27 0.99 1.43 -1.26 -4.61 118.68 107.72 2edt s LEU 15 Ca 0.00 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 2edt s LEU 15 Cb 0.00 -2.38 0.10 0.00 0.03 0.00 0.00 46.19 43.94 2edt s LEU 15 CO 0.00 -4.80 0.62 0.00 0.23 0.00 0.00 176.35 172.40 2edt s ARG 16 N -5.17 0.59 -0.20 1.70 1.70 -1.26 -4.99 118.95 111.31 2edt s ARG 16 Ca 0.70 1.26 -0.40 0.00 -0.47 0.00 0.00 55.73 56.82 2edt s ARG 16 Cb -0.12 0.44 -0.16 0.00 -0.57 0.00 0.00 34.95 34.53 2edt s ARG 16 CO 0.58 -0.18 1.65 0.27 -1.08 0.00 0.00 175.30 176.53 2edt n ASN 17 N 4.87 2.17 -4.34 -2.89 0.23 -1.26 -4.77 115.26 109.27 2edt n ASN 17 Ca -0.16 1.09 -0.19 0.00 -0.53 0.00 0.00 54.58 54.78 2edt n ASN 17 Cb 0.54 -1.14 -0.10 0.00 -2.08 0.00 0.00 39.78 36.99 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 2.82 1.56 0.12 -3.83 4.04 -0.87 -4.95 118.70 117.60 2edt s GLU 18 Ca 0.95 -1.87 0.01 0.00 0.04 0.00 0.00 54.97 54.11 2edt s GLU 18 Cb -1.06 -0.54 -0.04 0.00 0.02 0.00 0.00 34.13 32.51 2edt s GLU 18 CO 0.62 -0.27 -0.01 -1.83 -1.84 0.00 0.00 175.26 171.93 2edt s GLU 19 N -3.94 0.92 0.36 -4.83 -1.05 -1.26 0.09 118.70 108.99 2edt s GLU 19 Ca 0.36 -1.41 -0.11 0.00 -0.15 0.00 0.00 54.97 53.66 2edt s GLU 19 Cb 0.08 -0.06 0.05 0.00 -0.44 0.00 0.00 34.13 33.75 2edt s GLU 19 CO 0.15 -0.13 0.68 0.00 0.95 0.00 0.00 175.26 176.91 2edt n ALA 20 N -0.10 -1.38 -2.73 -0.84 0.00 0.18 -4.88 120.51 110.76 2edt n ALA 20 Ca -0.09 -1.24 -0.33 0.00 0.00 0.00 0.00 53.44 51.77 2edt n ALA 20 Cb 0.62 0.99 -0.08 0.00 0.00 0.00 0.00 19.45 20.99 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 -2.29 4.47 0.42 0.00 1.01 -1.26 0.19 120.40 122.93 2edt s VAL 21 Ca 0.17 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.51 2edt s VAL 21 Cb -0.04 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.25 2edt s VAL 21 CO 0.13 0.43 0.86 -0.62 0.00 0.00 0.00 175.10 175.89 2edt n GLU 22 N 1.52 1.06 0.00 2.72 1.02 0.48 -1.46 120.64 125.97 2edt n GLU 22 Ca -0.15 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2edt n GLU 22 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.39 1.74 2.68 0.62 0.00 -0.31 -4.72 105.19 106.60 2edt n GLY 23 Ca 0.10 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.29 -3.74 4.61 0.00 -0.54 -3.73 120.51 113.82 2edt n ALA 24 Ca 0.00 -1.27 -0.35 0.00 0.00 0.00 0.00 53.44 51.82 2edt n ALA 24 Cb 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.30 3.05 1.06 0.00 2.01 -1.26 -1.94 115.64 116.26 2edt s THR 25 Ca 0.55 -1.78 -0.21 0.00 0.31 0.00 0.00 61.69 60.56 2edt s THR 25 Cb -0.07 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 2edt s THR 25 CO 0.44 -0.42 -0.53 0.00 -0.69 0.00 0.00 174.62 173.42 2edt n ALA 26 N 4.57 -4.68 -3.56 7.40 0.00 -1.25 -4.76 120.51 118.22 2edt n ALA 26 Ca -0.06 -1.25 -0.22 0.00 0.00 0.00 0.00 53.44 51.90 2edt n ALA 26 Cb 0.42 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.91 0.11 -0.11 0.00 -2.45 -1.26 -3.96 119.30 108.72 2edt s MET 27 Ca 0.49 0.10 -0.01 0.00 -1.25 0.00 0.00 55.69 55.01 2edt s MET 27 Cb -0.05 -1.43 0.03 0.00 1.25 0.00 0.00 34.83 34.63 2edt s MET 27 CO 0.67 -0.63 -0.04 -0.51 1.05 0.00 0.00 175.02 175.56 2edt s LEU 28 N 2.23 1.00 0.26 4.11 1.43 -1.10 -4.96 118.68 121.66 2edt s LEU 28 Ca 0.04 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2edt s LEU 28 Cb -0.16 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 2edt s LEU 28 CO -0.10 -0.16 -0.10 -1.66 0.23 0.00 0.00 176.35 174.55 2edt s TRP 29 N 1.81 1.95 -0.07 0.29 1.48 -1.26 -0.93 118.94 122.21 2edt s TRP 29 Ca 0.04 -0.61 -0.20 0.00 -1.06 0.00 0.00 56.10 54.28 2edt s TRP 29 Cb -0.13 -1.02 0.04 0.00 -1.16 0.00 0.00 33.47 31.20 2edt s TRP 29 CO -0.07 0.37 0.46 0.00 -4.06 0.00 0.00 176.95 173.65 2edt s GLU 31 N -0.85 3.12 0.02 0.00 2.02 -1.26 -1.75 118.70 120.00 2edt s GLU 31 Ca -0.09 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.23 2edt s GLU 31 Cb -0.03 -2.81 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 2edt s GLU 31 CO 0.05 0.53 -0.06 -0.51 0.02 0.00 0.00 175.26 175.30 2edt s LEU 32 N -2.87 2.14 0.59 1.80 1.43 -0.05 -2.64 118.68 119.08 2edt s LEU 32 Ca 0.32 -0.33 0.23 0.00 -1.03 0.00 0.00 54.13 53.32 2edt s LEU 32 Cb -0.11 -0.16 1.25 0.00 0.03 0.00 0.00 46.19 47.20 2edt s LEU 32 CO 0.25 -0.10 1.68 -1.28 0.23 0.00 0.00 176.35 177.13 2edt h SER 33 N 5.21 0.00 -3.70 2.29 0.87 -0.39 -3.41 113.55 114.43 2edt h SER 33 Ca -0.31 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2edt h SER 33 Cb 1.20 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.93 2edt h SER 33 CO 0.45 0.00 0.24 -1.59 -0.53 0.00 0.00 176.83 175.40 2edt s LYS 34 N -3.91 0.72 -0.00 2.24 -2.85 -1.26 -4.89 119.74 109.79 2edt s LYS 34 Ca -0.03 0.86 -0.36 0.00 -1.00 0.00 0.00 55.97 55.45 2edt s LYS 34 Cb 0.07 0.35 -0.15 0.00 -2.06 0.00 0.00 37.83 36.04 2edt s LYS 34 CO 0.21 -0.09 1.61 1.55 0.10 0.00 0.00 175.35 178.73 2edt n VAL 35 N 2.56 0.19 -3.59 1.79 3.14 -1.26 -4.72 118.33 116.44 2edt n VAL 35 Ca -0.14 -0.03 -0.11 0.00 -2.96 0.00 0.00 64.34 61.10 2edt n VAL 35 Cb 0.55 -1.35 -0.04 0.00 -1.06 0.00 0.00 33.84 31.94 2edt n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2edt s ALA 36 N 2.03 -1.10 -0.48 1.55 0.00 -1.26 -4.99 121.76 117.50 2edt s ALA 36 Ca 0.87 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.72 2edt s ALA 36 Cb -0.84 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2edt s ALA 36 CO 0.49 -0.63 1.78 -1.25 0.00 0.00 0.00 175.76 176.15 2edt s PRO 37 N -3.50 3.01 0.51 0.00 0.04 -1.26 -4.99 135.00 128.81 2edt s PRO 37 Ca 0.01 0.96 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 2edt s PRO 37 Cb 0.01 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 2edt s PRO 37 CO -0.10 -2.26 0.85 0.14 0.04 0.00 0.00 177.00 175.67 2edt s VAL 38 N 7.81 4.85 -0.23 -0.36 -7.23 -1.26 -4.74 120.40 119.22 2edt s VAL 38 Ca 0.71 0.41 -0.03 0.00 -1.81 0.00 0.00 61.98 61.27 2edt s VAL 38 Cb -0.16 -3.85 0.07 0.00 0.56 0.00 0.00 36.38 33.00 2edt s VAL 38 CO 0.27 -0.89 0.07 -1.61 -0.31 0.00 0.00 175.10 172.62 2edt s GLU 39 N -4.76 0.57 0.16 4.82 0.41 -0.05 -4.97 118.70 114.88 2edt s GLU 39 Ca 0.50 -0.56 -0.30 0.00 -0.41 0.00 0.00 54.97 54.20 2edt s GLU 39 Cb -0.10 -1.94 -0.07 0.00 -1.78 0.00 0.00 34.13 30.23 2edt s GLU 39 CO 0.46 -0.77 1.05 -1.58 -0.49 0.00 0.00 175.26 173.92 2edt s TRP 40 N 1.86 3.68 0.03 1.61 0.52 -1.26 -1.59 118.94 123.78 2edt s TRP 40 Ca 0.03 1.68 -0.03 0.00 0.02 0.00 0.00 56.10 57.80 2edt s TRP 40 Cb -0.17 -3.19 -0.02 0.00 -1.15 0.00 0.00 33.47 28.94 2edt s TRP 40 CO -0.16 -0.30 0.03 1.03 0.02 0.00 0.00 176.95 177.57 2edt s ARG 41 N -0.32 0.47 -0.46 4.98 0.52 1.00 -1.87 118.95 123.27 2edt s ARG 41 Ca 0.48 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 2edt s ARG 41 Cb -0.27 0.17 0.13 0.00 0.52 0.00 0.00 34.95 35.50 2edt s ARG 41 CO 0.33 -0.10 0.24 0.21 0.02 0.00 0.00 175.30 176.00 2edt s LYS 42 N -2.21 1.44 2.88 3.54 2.20 -1.22 -0.25 119.74 126.12 2edt s LYS 42 Ca -0.09 -2.14 0.00 0.00 -0.36 0.00 0.00 55.97 53.39 2edt s LYS 42 Cb -0.04 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2edt s LYS 42 CO -0.03 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 2edt n GLY 43 N 3.47 2.64 0.23 5.54 0.00 -1.26 0.51 105.19 116.33 2edt n GLY 43 Ca 0.07 0.33 0.11 0.00 0.00 0.00 0.00 46.02 46.54 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 -7.71 1.61 0.13 -1.97 -3.44 132.00 120.61 2edt h PRO 44 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 2edt h PRO 44 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 2edt h PRO 44 CO 0.00 0.19 0.37 -1.21 -0.23 0.00 0.00 178.00 177.13 2edt s GLU 45 N -3.78 0.79 -0.07 0.86 0.41 0.18 -5.10 118.70 111.99 2edt s GLU 45 Ca -0.00 -0.53 -0.03 0.00 -0.41 0.00 0.00 54.97 53.99 2edt s GLU 45 Cb 0.11 -1.92 0.04 0.00 -1.78 0.00 0.00 34.13 30.58 2edt s GLU 45 CO 0.62 -2.27 0.16 0.54 -0.49 0.00 0.00 175.26 173.81 2edt s ASN 46 N -4.87 0.11 0.26 -0.19 2.20 -1.26 -3.44 114.94 107.76 2edt s ASN 46 Ca 0.73 0.32 0.08 0.00 -0.94 0.00 0.00 52.86 53.06 2edt s ASN 46 Cb -0.04 0.23 -0.04 0.00 -2.00 0.00 0.00 41.25 39.40 2edt s ASN 46 CO 0.52 -0.18 0.09 -0.76 -2.94 0.00 0.00 177.10 173.83 2edt s LEU 47 N 1.49 3.47 -0.18 3.54 1.43 -0.78 -4.91 118.68 122.74 2edt s LEU 47 Ca -0.06 -0.48 -0.34 0.00 -1.03 0.00 0.00 54.13 52.22 2edt s LEU 47 Cb -0.12 -1.99 0.14 0.00 0.03 0.00 0.00 46.19 44.25 2edt s LEU 47 CO -0.06 -0.03 1.18 0.00 0.23 0.00 0.00 176.35 177.66 2edt s ARG 48 N -3.76 0.35 -0.39 1.70 1.70 -1.26 -4.28 118.95 113.01 2edt s ARG 48 Ca 0.32 -0.10 -0.27 0.00 -0.47 0.00 0.00 55.73 55.21 2edt s ARG 48 Cb -0.07 0.16 -0.07 0.00 -0.57 0.00 0.00 34.95 34.41 2edt s ARG 48 CO 0.22 -0.15 2.35 -3.47 -1.08 0.00 0.00 175.30 173.17 2edt n ASP 49 N 0.00 2.65 0.00 -2.89 2.03 -1.26 -4.53 116.55 112.55 2edt n ASP 49 Ca -0.01 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.09 2edt n ASP 49 Cb 0.59 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 5.94 3.27 0.00 0.27 0.00 -1.21 -5.05 105.19 108.42 2edt n GLY 50 Ca 0.35 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.66 0.06 1.61 8.00 -1.26 -4.75 116.55 123.86 2edt n ASP 51 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 2edt n ASP 51 Cb 0.00 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.00 -4.47 -1.24 0.11 -1.95 -3.42 114.38 103.41 2edt h ARG 52 Ca 0.00 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.39 2edt h ARG 52 Cb 0.80 0.00 -0.35 0.00 1.11 0.00 0.00 29.97 31.53 2edt h ARG 52 CO 0.00 0.56 -0.55 0.71 0.10 0.00 0.00 179.97 180.79 2edt s TYR 53 N -2.82 3.59 -0.80 4.08 2.02 -1.26 -2.67 117.35 119.48 2edt s TYR 53 Ca -0.00 -2.44 -0.26 0.00 -0.37 0.00 0.00 57.07 54.00 2edt s TYR 53 Cb 0.09 -3.22 0.04 0.00 -0.40 0.00 0.00 41.96 38.46 2edt s TYR 53 CO 0.80 -0.97 1.30 0.42 -1.57 0.00 0.00 175.55 175.52 2edt s ILE 54 N 1.11 3.83 0.26 2.71 1.01 -0.65 -3.30 121.20 126.17 2edt s ILE 54 Ca 0.09 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 2edt s ILE 54 Cb -0.23 -4.93 -0.05 0.00 0.01 0.00 0.00 42.46 37.26 2edt s ILE 54 CO -0.04 -1.84 0.52 -0.76 0.00 0.00 0.00 174.94 172.82 2edt s LEU 55 N 5.38 4.11 0.01 2.97 1.43 -1.26 -1.36 118.68 129.95 2edt s LEU 55 Ca 0.37 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2edt s LEU 55 Cb -0.07 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2edt s LEU 55 CO 0.08 -0.14 0.17 -0.13 0.23 0.00 0.00 176.35 176.55 2edt s ARG 56 N -3.34 0.54 -0.22 1.70 0.52 0.40 -4.98 118.95 113.58 2edt s ARG 56 Ca 0.44 -0.43 -0.08 0.00 -0.52 0.00 0.00 55.73 55.14 2edt s ARG 56 Cb -0.11 0.23 0.10 0.00 0.52 0.00 0.00 34.95 35.68 2edt s ARG 56 CO 0.28 -0.14 0.47 -1.14 0.02 0.00 0.00 175.30 174.79 2edt s GLN 57 N -1.61 0.39 -0.18 3.54 0.74 -1.26 -0.40 119.66 120.88 2edt s GLN 57 Ca -0.13 1.11 0.15 0.00 0.05 0.00 0.00 55.36 56.55 2edt s GLN 57 Cb -0.06 0.42 0.40 0.00 1.10 0.00 0.00 33.01 34.87 2edt s GLN 57 CO 0.01 -0.23 1.26 0.39 -0.55 0.00 0.00 175.29 176.17 2edt n GLU 58 N 5.31 1.75 0.00 1.67 4.71 -1.17 -5.04 120.64 127.87 2edt n GLU 58 Ca -0.10 -2.87 0.00 0.00 -0.01 0.00 0.00 57.16 54.17 2edt n GLU 58 Cb 0.50 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 2edt n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2edt n GLY 59 N -1.14 0.74 1.35 0.62 0.00 -1.26 -4.81 105.19 100.69 2edt n GLY 59 Ca 0.20 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 1.65 -3.99 2.61 -2.24 -1.26 -4.00 114.28 107.04 2edt n THR 60 Ca 0.00 -0.79 -0.15 0.00 -2.27 0.00 0.00 64.05 60.83 2edt n THR 60 Cb 0.00 -0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 67.57 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 -1.80 0.26 -0.17 -0.78 3.52 -1.26 -0.87 118.95 117.84 2edt s ARG 61 Ca 0.28 -0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.85 2edt s ARG 61 Cb 0.22 -0.33 0.03 0.00 -1.56 0.00 0.00 34.95 33.31 2edt s ARG 61 CO 0.07 -0.02 -0.12 0.00 -0.81 0.00 0.00 175.30 174.42 2edt s GLU 63 N 1.46 3.45 -0.05 0.00 8.01 0.47 -2.42 118.70 129.62 2edt s GLU 63 Ca 0.02 -0.22 0.04 0.00 0.01 0.00 0.00 54.97 54.82 2edt s GLU 63 Cb -0.15 -3.14 -0.00 0.00 -4.31 0.00 0.00 34.13 26.54 2edt s GLU 63 CO -0.09 0.72 -0.16 -1.17 0.01 0.00 0.00 175.26 174.57 2edt s LEU 64 N -1.52 1.87 -0.17 1.80 2.96 -0.11 -0.45 118.68 123.06 2edt s LEU 64 Ca 0.22 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 2edt s LEU 64 Cb -0.12 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.69 2edt s LEU 64 CO 0.12 0.13 -0.12 -1.10 -1.32 0.00 0.00 176.35 174.06 2edt s GLN 65 N 0.15 2.11 -0.79 1.98 -0.21 -0.47 -2.71 119.66 119.73 2edt s GLN 65 Ca -0.06 -0.66 -0.18 0.00 0.02 0.00 0.00 55.36 54.48 2edt s GLN 65 Cb -0.12 -2.21 0.14 0.00 1.00 0.00 0.00 33.01 31.82 2edt s GLN 65 CO 0.02 -0.33 0.90 0.42 -2.12 0.00 0.00 175.29 174.18 2edt s ILE 66 N 1.47 4.97 -0.05 1.08 1.01 -1.25 -1.63 121.20 126.78 2edt s ILE 66 Ca 0.02 -1.57 -0.30 0.00 0.00 0.00 0.00 60.65 58.80 2edt s ILE 66 Cb -0.14 -4.61 -0.06 0.00 0.01 0.00 0.00 42.46 37.65 2edt s ILE 66 CO -0.09 -1.27 1.82 0.00 0.00 0.00 0.00 174.94 175.40 2edt n GLY 68 N 4.49 0.04 3.84 0.00 0.00 -1.25 -4.97 105.19 107.33 2edt n GLY 68 Ca 0.20 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.90 3.39 -0.09 0.99 1.43 -0.82 -4.85 118.68 117.83 2edt s LEU 69 Ca 0.00 1.58 -0.31 0.00 -1.03 0.00 0.00 54.13 54.38 2edt s LEU 69 Cb 0.00 -4.50 0.12 0.00 0.03 0.00 0.00 46.19 41.84 2edt s LEU 69 CO 0.00 -0.95 0.99 0.00 0.23 0.00 0.00 176.35 176.62 2edt s ALA 70 N -2.84 -1.91 0.29 4.21 0.00 -1.26 -1.16 121.76 119.10 2edt s ALA 70 Ca 0.58 1.28 0.14 0.00 0.00 0.00 0.00 51.96 53.97 2edt s ALA 70 Cb -0.12 0.03 1.01 0.00 0.00 0.00 0.00 23.12 24.04 2edt s ALA 70 CO 0.44 -0.58 1.30 -1.33 0.00 0.00 0.00 175.76 175.58 2edt n MET 71 N -0.00 -0.05 0.07 0.00 2.81 -1.26 0.13 117.12 118.82 2edt n MET 71 Ca -0.07 1.15 -0.13 0.00 -1.81 0.00 0.00 57.70 56.85 2edt n MET 71 Cb 0.60 -2.02 -0.08 0.00 -0.71 0.00 0.00 33.22 31.01 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 1.64 -0.10 -1.08 3.04 0.00 -2.00 -2.68 119.26 118.08 2edt h ALA 72 Ca 0.66 -0.05 0.42 0.00 0.00 0.00 0.00 54.91 55.94 2edt h ALA 72 Cb 1.68 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 19.34 2edt h ALA 72 CO -0.66 -0.52 0.62 -0.44 0.00 0.00 0.00 179.25 178.25 2edt h ASP 73 N -0.16 0.31 -2.23 0.00 5.19 0.74 -3.38 116.42 116.90 2edt h ASP 73 Ca -0.01 0.23 -0.55 0.00 -0.62 0.00 0.00 57.03 56.08 2edt h ASP 73 Cb 0.14 0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.89 2edt h ASP 73 CO 0.02 -0.37 1.33 0.00 -3.12 0.00 0.00 179.24 177.10 2edt s ALA 74 N -5.48 3.25 0.00 3.45 0.00 -1.01 -4.72 121.76 117.25 2edt s ALA 74 Ca -0.09 1.11 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2edt s ALA 74 Cb 0.33 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2edt s ALA 74 CO 0.79 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2edt n GLY 75 N 5.02 0.78 2.67 0.00 0.00 -1.19 -4.98 105.19 107.48 2edt n GLY 75 Ca 0.24 0.42 -0.23 0.00 0.00 0.00 0.00 46.02 46.45 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 3.24 0.12 -0.00 1.61 2.12 -1.26 -2.02 118.70 122.52 2edt s GLU 76 Ca 0.00 0.02 -0.12 0.00 0.36 0.00 0.00 54.97 55.22 2edt s GLU 76 Cb 0.00 -1.53 -0.05 0.00 0.26 0.00 0.00 34.13 32.81 2edt s GLU 76 CO 0.00 -0.68 0.36 0.71 -0.54 0.00 0.00 175.26 175.11 2edt s TYR 77 N 2.22 3.68 -0.02 5.30 1.51 -1.14 -4.00 117.35 124.90 2edt s TYR 77 Ca 0.04 0.87 0.06 0.00 -1.01 0.00 0.00 57.07 57.04 2edt s TYR 77 Cb -0.16 -2.20 -0.01 0.00 -0.11 0.00 0.00 41.96 39.48 2edt s TYR 77 CO -0.12 0.63 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.25 2edt s LEU 78 N -1.26 2.02 -0.25 -1.29 1.02 0.65 -0.98 118.68 118.59 2edt s LEU 78 Ca 0.24 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 54.04 2edt s LEU 78 Cb -0.15 -1.03 0.05 0.00 0.02 0.00 0.00 46.19 45.07 2edt s LEU 78 CO 0.13 0.23 -0.11 0.00 0.02 0.00 0.00 176.35 176.62 2edt s VAL 80 N 1.19 5.19 -0.23 0.00 1.01 -0.62 -1.53 120.40 125.41 2edt s VAL 80 Ca -0.04 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 2edt s VAL 80 Cb -0.18 -3.63 0.17 0.00 0.00 0.00 0.00 36.38 32.73 2edt s VAL 80 CO -0.06 0.54 1.22 0.00 0.00 0.00 0.00 175.10 176.80 2edt n GLY 82 N 0.53 -1.25 1.82 0.00 0.00 -1.26 0.80 105.19 105.83 2edt n GLY 82 Ca -0.03 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2edt n GLY 82 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2edt n GLN 83 N -2.86 -2.12 -4.45 1.61 7.27 -1.26 -4.33 117.38 111.23 2edt n GLN 83 Ca -0.27 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.56 2edt n GLN 83 Cb 0.66 -4.09 -0.08 0.00 2.41 0.00 0.00 30.24 29.14 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2edt s GLU 84 N -3.61 1.87 -0.27 3.69 0.41 0.24 -5.11 118.70 115.91 2edt s GLU 84 Ca 0.00 -2.12 -0.26 0.00 -0.41 0.00 0.00 54.97 52.18 2edt s GLU 84 Cb 0.00 -0.37 0.14 0.00 -1.78 0.00 0.00 34.13 32.12 2edt s GLU 84 CO 0.00 -0.51 1.14 -0.98 -0.49 0.00 0.00 175.26 174.42 2edt s ARG 85 N -3.67 0.39 0.01 1.61 1.70 -1.26 -0.62 118.95 117.12 2edt s ARG 85 Ca 0.28 0.40 0.04 0.00 -0.47 0.00 0.00 55.73 55.98 2edt s ARG 85 Cb 0.03 0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 2edt s ARG 85 CO 0.17 -0.06 -0.14 -0.08 -1.08 0.00 0.00 175.30 174.11 2edt s THR 86 N -0.03 1.09 0.08 4.99 -1.32 -0.58 -4.95 115.64 114.93 2edt s THR 86 Ca 0.04 -0.76 0.08 0.00 -1.21 0.00 0.00 61.69 59.84 2edt s THR 86 Cb -0.04 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 2edt s THR 86 CO -0.08 0.18 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.39 2edt s SER 87 N -0.66 3.81 0.28 8.08 1.04 -1.26 -0.49 113.70 124.50 2edt s SER 87 Ca 0.04 -0.51 0.06 0.00 0.48 0.00 0.00 55.95 56.02 2edt s SER 87 Cb -0.06 -0.56 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 2edt s SER 87 CO 0.00 0.21 0.24 0.00 0.98 0.00 0.00 173.24 174.68 2edt n ALA 88 N 1.14 0.57 -3.88 5.32 0.00 -0.16 -4.82 120.51 118.68 2edt n ALA 88 Ca -0.16 -1.62 -0.27 0.00 0.00 0.00 0.00 53.44 51.39 2edt n ALA 88 Cb 0.52 1.31 -0.17 0.00 0.00 0.00 0.00 19.45 21.12 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 -3.12 0.98 0.12 0.00 2.01 -1.26 -2.87 115.64 111.50 2edt s THR 89 Ca 0.33 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 2edt s THR 89 Cb 0.02 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 2edt s THR 89 CO 0.23 0.24 0.35 -0.22 -0.69 0.00 0.00 174.62 174.54 2edt s LEU 90 N 1.71 4.29 -0.04 4.42 2.96 -0.85 -2.04 118.68 129.13 2edt s LEU 90 Ca 0.03 0.58 0.04 0.00 -0.22 0.00 0.00 54.13 54.57 2edt s LEU 90 Cb -0.14 -3.18 -0.00 0.00 0.50 0.00 0.00 46.19 43.36 2edt s LEU 90 CO -0.08 0.09 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.99 2edt s THR 91 N -1.58 1.37 0.10 3.68 2.01 0.11 -3.14 115.64 118.20 2edt s THR 91 Ca 0.38 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.75 2edt s THR 91 Cb -0.12 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 2edt s THR 91 CO 0.23 0.39 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.88 2edt s ILE 92 N -0.03 3.69 -0.18 1.82 -1.09 -1.26 0.49 121.20 124.64 2edt s ILE 92 Ca -0.02 -1.16 0.01 0.00 -2.23 0.00 0.00 60.65 57.25 2edt s ILE 92 Cb -0.10 -2.75 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 2edt s ILE 92 CO 0.01 0.09 -0.17 -0.13 -1.23 0.00 0.00 174.94 173.52 2edt s ARG 93 N -2.32 2.72 -0.14 2.79 1.81 0.13 -4.88 118.95 119.06 2edt s ARG 93 Ca 0.24 -0.81 -0.34 0.00 -1.72 0.00 0.00 55.73 53.10 2edt s ARG 93 Cb -0.11 -2.48 -0.11 0.00 -0.45 0.00 0.00 34.95 31.80 2edt s ARG 93 CO 0.16 -0.26 1.93 0.00 -0.68 0.00 0.00 175.30 176.46 2edt n ALA 94 N 4.64 0.90 -0.92 2.13 0.00 -1.26 -0.39 120.51 125.61 2edt n ALA 94 Ca -0.19 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 2edt n ALA 94 Cb 0.49 -2.52 0.09 0.00 0.00 0.00 0.00 19.45 17.51 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 7.29 -1.58 0.00 0.00 4.77 -1.26 -4.79 117.00 121.42 2edt n LEU 95 Ca 0.25 0.33 0.06 0.00 -0.03 0.00 0.00 56.01 56.63 2edt n LEU 95 Cb 0.29 -1.09 0.36 0.00 -2.33 0.00 0.00 43.42 40.65 2edt n LEU 95 CO 0.74 -4.19 0.58 -0.81 -1.33 0.00 0.00 177.39 172.38 2edt n PRO 96 N -0.48 0.49 -2.38 3.23 -0.04 -1.26 -4.83 135.00 129.72 2edt n PRO 96 Ca 0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.45 2edt n PRO 96 Cb 0.54 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.89 -2.48 0.00 3.54 7.64 -1.26 -4.78 113.62 115.39 2edt n SER 97 Ca 0.09 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2edt n SER 97 Cb 0.04 -2.11 0.00 0.00 -1.01 0.00 0.00 64.21 61.13 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 -1.15 0.76 0.28 0.23 0.00 -1.26 -5.00 105.19 99.04 2edt n GLY 98 Ca -0.08 -0.68 0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 -6.55 1.61 0.13 -1.98 -3.44 132.00 121.76 2edt h PRO 99 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2edt h PRO 99 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2edt h PRO 99 CO 0.00 0.02 -0.16 -1.54 -0.23 0.00 0.00 178.00 176.09 2edt s SER 100 N -5.73 5.25 -0.03 1.44 1.04 -1.26 -5.06 113.70 109.35 2edt s SER 100 Ca 0.01 -0.73 -0.19 0.00 0.48 0.00 0.00 55.95 55.51 2edt s SER 100 Cb 0.09 0.00 -0.13 0.00 0.10 0.00 0.00 66.02 66.09 2edt s SER 100 CO 0.55 -1.15 0.83 0.28 0.98 0.00 0.00 173.24 174.73 2edt h SER 101 N 0.35 -0.37 0.00 7.02 0.02 -2.03 -3.53 113.55 115.00 2edt h SER 101 Ca -0.33 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2edt h SER 101 Cb 1.29 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2edt h SER 101 CO 0.43 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.82