#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b n LEU 2 N 0.00 3.76 -0.08 -0.89 4.77 -1.26 -5.01 117.00 118.28 3e1b n LEU 2 Ca 0.00 1.14 -0.07 0.00 -0.03 0.00 0.00 56.01 57.05 3e1b n LEU 2 Cb 0.00 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 39.60 3e1b n LEU 2 CO 0.00 -0.65 0.69 1.56 -1.33 0.00 0.00 177.39 177.66 3e1b h GLN 3 N 2.22 -0.21 -7.12 3.23 1.08 -2.03 -3.47 115.11 108.80 3e1b h GLN 3 Ca -0.47 0.01 -0.48 0.00 -1.45 0.00 0.00 58.65 56.26 3e1b h GLN 3 Cb 1.29 0.05 0.05 0.00 -0.05 0.00 0.00 27.48 28.82 3e1b h GLN 3 CO 0.61 -0.14 0.39 -2.14 -0.95 0.00 0.00 178.83 176.59 3e1b s PRO 4 N -6.07 3.53 0.00 1.46 0.02 -1.26 -4.41 135.00 128.26 3e1b s PRO 4 Ca -0.15 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.22 3e1b s PRO 4 Cb 0.13 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.60 3e1b s PRO 4 CO 0.68 -0.66 0.00 0.36 -0.33 0.00 0.00 177.00 177.06 3e1b n LYS 5 N -1.44 0.00 0.00 5.54 2.85 -1.26 -4.82 118.16 119.03 3e1b n LYS 5 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 3e1b n LYS 5 Cb 0.52 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 3e1b n LYS 5 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3e1b n ARG 6 N -0.42 0.00 -1.68 -1.58 -4.01 -1.26 -4.89 116.66 102.81 3e1b n ARG 6 Ca 0.00 0.00 -0.44 0.00 -1.04 0.00 0.00 57.85 56.37 3e1b n ARG 6 Cb 0.00 -1.32 -0.02 0.00 -3.04 0.00 0.00 32.46 28.08 3e1b n ARG 6 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 3e1b n THR 7 N 0.82 1.07 -2.16 8.89 -2.24 -1.26 -4.92 114.28 114.47 3e1b n THR 7 Ca 0.00 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.21 3e1b n THR 7 Cb 0.00 -1.53 -0.05 0.00 -2.10 0.00 0.00 70.33 66.66 3e1b n THR 7 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3e1b s LYS 8 N -0.57 2.79 0.54 -0.78 2.20 -1.26 -4.43 119.74 118.22 3e1b s LYS 8 Ca 0.66 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 3e1b s LYS 8 Cb -0.63 -5.15 0.00 0.00 -1.51 0.00 0.00 37.83 30.54 3e1b s LYS 8 CO 0.51 -3.17 0.00 0.34 -0.36 0.00 0.00 175.35 172.67 3e1b n PHE 9 N 12.86 -3.68 0.53 4.03 -0.00 -1.26 -4.83 117.46 125.10 3e1b n PHE 9 Ca 0.39 2.01 0.11 0.00 -0.00 0.00 0.00 57.45 59.96 3e1b n PHE 9 Cb 0.48 -3.17 0.44 0.00 -0.00 0.00 0.00 39.48 37.23 3e1b n PHE 9 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3e1b n ARG 10 N -3.11 0.12 0.00 -4.13 1.74 -1.26 -4.67 116.66 105.34 3e1b n ARG 10 Ca -0.03 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3e1b n ARG 10 Cb 0.49 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3e1b n ARG 10 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3e1b n LYS 11 N -1.93 0.00 -3.76 5.56 2.85 -1.26 -4.87 118.16 114.74 3e1b n LYS 11 Ca 0.04 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.03 3e1b n LYS 11 Cb 0.25 -0.84 -0.03 0.00 -0.65 0.00 0.00 35.03 33.77 3e1b n LYS 11 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3e1b s MET 12 N -0.12 3.49 -0.01 -1.58 1.75 -1.26 -5.12 119.30 116.45 3e1b s MET 12 Ca 0.00 -0.44 -0.11 0.00 -1.25 0.00 0.00 55.69 53.90 3e1b s MET 12 Cb 0.00 -2.87 0.01 0.00 2.84 0.00 0.00 34.83 34.82 3e1b s MET 12 CO 0.00 0.42 0.22 -1.58 -0.65 0.00 0.00 175.02 173.43 3e1b s HIS 13 N -1.87 -0.07 -0.37 4.11 5.04 -1.26 -5.07 115.29 115.80 3e1b s HIS 13 Ca 0.37 0.09 0.00 0.00 -1.54 0.00 0.00 55.06 53.98 3e1b s HIS 13 Cb -0.11 0.02 0.00 0.00 0.04 0.00 0.00 32.58 32.53 3e1b s HIS 13 CO 0.29 -0.32 0.69 0.36 -2.34 0.00 0.00 174.74 173.42 3e1b n LYS 14 N 1.48 0.85 -3.15 2.88 2.85 -1.26 -4.59 118.16 117.21 3e1b n LYS 14 Ca -0.22 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.10 3e1b n LYS 14 Cb 0.56 -1.20 -0.01 0.00 -0.65 0.00 0.00 35.03 33.72 3e1b n LYS 14 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3e1b s GLY 15 N 0.58 -0.58 -0.09 2.58 0.00 -1.20 -2.10 107.32 106.50 3e1b s GLY 15 Ca 0.00 2.48 -0.10 0.00 0.00 0.00 0.00 44.72 47.10 3e1b s GLY 15 CO 0.00 3.91 0.28 0.50 0.00 0.00 0.00 173.10 177.79 3e1b s ARG 16 N 2.95 0.35 1.27 2.90 0.52 -1.26 -4.84 118.95 120.84 3e1b s ARG 16 Ca 0.09 0.32 -0.19 0.00 -0.52 0.00 0.00 55.73 55.43 3e1b s ARG 16 Cb -0.07 0.17 0.29 0.00 0.52 0.00 0.00 34.95 35.86 3e1b s ARG 16 CO -0.16 -0.05 0.66 0.09 0.02 0.00 0.00 175.30 175.87 3e1b n ASN 17 N 2.77 -3.51 -4.46 0.23 4.13 -1.26 -4.72 115.26 108.44 3e1b n ASN 17 Ca -0.14 -0.62 -0.34 0.00 1.68 0.00 0.00 54.58 55.16 3e1b n ASN 17 Cb 0.58 -0.94 -0.04 0.00 -1.54 0.00 0.00 39.78 37.84 3e1b n ASN 17 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3e1b n ARG 18 N -4.17 2.07 -1.51 3.52 3.00 -1.26 -4.88 116.66 113.43 3e1b n ARG 18 Ca 0.09 -2.63 -0.37 0.00 -0.01 0.00 0.00 57.85 54.93 3e1b n ARG 18 Cb 0.50 -3.58 -0.03 0.00 0.00 0.00 0.00 32.46 29.36 3e1b n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3e1b n GLY 19 N 5.49 4.48 3.80 -0.13 0.00 -1.26 -5.02 105.19 112.56 3e1b n GLY 19 Ca 0.47 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 3e1b n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1b s LEU 20 N -0.61 3.23 0.66 0.99 1.43 -1.26 -4.83 118.68 118.30 3e1b s LEU 20 Ca 0.65 1.72 -0.15 0.00 -1.03 0.00 0.00 54.13 55.32 3e1b s LEU 20 Cb 0.19 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.90 3e1b s LEU 20 CO -0.07 -1.47 1.11 0.00 0.23 0.00 0.00 176.35 176.15 3e1b s ALA 21 N -2.82 2.47 0.44 4.21 0.00 -1.26 -5.11 121.76 119.68 3e1b s ALA 21 Ca 0.60 0.53 0.06 0.00 0.00 0.00 0.00 51.96 53.15 3e1b s ALA 21 Cb -0.15 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 3e1b s ALA 21 CO 0.49 -1.28 0.02 -1.14 0.00 0.00 0.00 175.76 173.85 3e1b s GLN 22 N -4.12 2.04 0.00 0.00 -0.44 -1.26 -5.19 119.66 110.69 3e1b s GLN 22 Ca 0.67 -2.17 0.00 0.00 -2.50 0.00 0.00 55.36 51.36 3e1b s GLN 22 Cb -0.20 -1.64 0.00 0.00 -1.64 0.00 0.00 33.01 29.53 3e1b s GLN 22 CO 0.42 -0.14 0.00 0.41 0.50 0.00 0.00 175.29 176.48 3e1b n GLY 23 N -1.07 4.31 2.28 2.59 0.00 -1.26 -5.02 105.19 107.02 3e1b n GLY 23 Ca -0.08 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 3e1b n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3e1b n THR 24 N -1.70 -0.75 -1.93 2.61 5.66 -1.26 -4.89 114.28 112.03 3e1b n THR 24 Ca 0.00 -3.65 -0.30 0.00 -3.05 0.00 0.00 64.05 57.05 3e1b n THR 24 Cb 0.00 -1.60 0.05 0.00 -1.55 0.00 0.00 70.33 67.23 3e1b n THR 24 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3e1b s ASP 25 N -0.91 5.36 0.00 1.09 3.68 -1.26 -5.03 116.67 119.59 3e1b s ASP 25 Ca 0.34 1.06 0.00 0.00 2.13 0.00 0.00 52.55 56.08 3e1b s ASP 25 Cb 0.14 -1.84 0.00 0.00 -1.45 0.00 0.00 42.92 39.78 3e1b s ASP 25 CO -0.14 -1.38 0.05 0.55 0.13 0.00 0.00 175.17 174.38 3e1b n VAL 26 N -3.01 0.00 0.00 1.11 3.14 -1.26 -4.92 118.33 113.39 3e1b n VAL 26 Ca 0.07 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 3e1b n VAL 26 Cb 0.58 1.16 0.00 0.00 -1.06 0.00 0.00 33.84 34.51 3e1b n VAL 26 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3e1b n SER 27 N -0.29 0.00 0.03 6.55 7.64 -1.26 -4.11 113.62 122.19 3e1b n SER 27 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3e1b n SER 27 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 3e1b n SER 27 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3e1b n PHE 28 N 0.00 -0.50 -1.01 1.43 -0.00 -1.26 -5.14 117.46 110.98 3e1b n PHE 28 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 3e1b n PHE 28 Cb 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 3e1b n PHE 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3e1b n GLY 29 N 2.19 -0.67 1.35 7.13 0.00 -1.26 -5.07 105.19 108.85 3e1b n GLY 29 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3e1b n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3e1b n SER 30 N 0.00 0.00 0.21 1.61 3.41 -1.26 -2.32 113.62 115.26 3e1b n SER 30 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3e1b n SER 30 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3e1b n SER 30 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3e1b h PHE 31 N 0.00 -0.52 0.00 7.33 3.57 -1.87 -3.43 116.94 122.02 3e1b h PHE 31 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3e1b h PHE 31 Cb 0.00 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3e1b h PHE 31 CO 0.00 -0.20 0.00 0.41 -2.23 0.00 0.00 178.31 176.29 3e1b n GLY 32 N -0.18 0.50 2.39 2.40 0.00 -0.98 -4.72 105.19 104.59 3e1b n GLY 32 Ca -0.09 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3e1b n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3e1b n LEU 33 N 0.00 -1.49 -4.66 0.99 7.94 -1.26 -3.65 117.00 114.87 3e1b n LEU 33 Ca 0.00 0.20 -0.29 0.00 -1.11 0.00 0.00 56.01 54.81 3e1b n LEU 33 Cb 0.00 -2.56 0.19 0.00 0.53 0.00 0.00 43.42 41.58 3e1b n LEU 33 CO 0.00 -0.44 0.63 -1.59 -1.11 0.00 0.00 177.39 174.88 3e1b s LYS 34 N -4.47 0.09 0.29 1.96 -2.85 -1.26 -0.20 119.74 113.30 3e1b s LYS 34 Ca 0.00 0.43 -0.05 0.00 -1.00 0.00 0.00 55.97 55.35 3e1b s LYS 34 Cb 0.00 -1.71 0.02 0.00 -2.06 0.00 0.00 37.83 34.09 3e1b s LYS 34 CO 0.00 -2.94 0.47 0.00 0.10 0.00 0.00 175.35 172.97 3e1b n ALA 35 N -4.31 -0.66 0.00 0.59 0.00 -1.19 -4.70 120.51 110.25 3e1b n ALA 35 Ca 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.33 3e1b n ALA 35 Cb 0.58 0.94 0.00 0.00 0.00 0.00 0.00 19.45 20.96 3e1b n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3e1b n VAL 36 N -0.44 0.00 -1.76 0.00 0.31 -1.26 -4.59 118.33 110.59 3e1b n VAL 36 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 3e1b n VAL 36 Cb 0.46 0.04 -0.05 0.00 -0.91 0.00 0.00 33.84 33.38 3e1b n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3e1b s GLY 37 N -1.35 -0.36 0.00 2.92 0.00 -1.26 -4.86 107.32 102.41 3e1b s GLY 37 Ca 0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 44.72 43.67 3e1b s GLY 37 CO 0.00 3.91 1.31 -2.13 0.00 0.00 0.00 173.10 176.19 3e1b n ARG 38 N 8.90 0.00 -1.97 2.90 0.63 -1.26 -4.65 116.66 121.21 3e1b n ARG 38 Ca 0.41 -0.76 -0.29 0.00 -0.92 0.00 0.00 57.85 56.29 3e1b n ARG 38 Cb 0.47 -2.26 0.08 0.00 0.45 0.00 0.00 32.46 31.20 3e1b n ARG 38 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3e1b s GLY 39 N 6.04 1.61 0.00 5.14 0.00 -1.26 -4.84 107.32 114.01 3e1b s GLY 39 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.45 3e1b s GLY 39 CO 0.19 -0.20 0.31 0.54 0.00 0.00 0.00 173.10 173.94 3e1b n ARG 40 N -3.17 0.42 -2.01 2.90 1.74 -1.26 -3.71 116.66 111.56 3e1b n ARG 40 Ca 0.08 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 3e1b n ARG 40 Cb 0.60 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.77 3e1b n ARG 40 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3e1b s LEU 41 N 0.00 3.89 0.64 0.55 1.02 -1.26 -4.91 118.68 118.60 3e1b s LEU 41 Ca 0.00 1.75 -0.15 0.00 0.02 0.00 0.00 54.13 55.75 3e1b s LEU 41 Cb 0.00 -3.53 -0.01 0.00 0.02 0.00 0.00 46.19 42.67 3e1b s LEU 41 CO 0.00 -1.33 1.09 0.28 0.02 0.00 0.00 176.35 176.41 3e1b s THR 42 N 5.51 3.51 0.27 5.49 -1.32 -1.26 -0.34 115.64 127.49 3e1b s THR 42 Ca 0.77 0.69 -0.08 0.00 -1.21 0.00 0.00 61.69 61.86 3e1b s THR 42 Cb -0.28 -3.22 0.44 0.00 -1.51 0.00 0.00 72.50 67.94 3e1b s THR 42 CO 0.31 -0.45 1.51 0.00 -2.21 0.00 0.00 174.62 173.78 3e1b n ALA 43 N -2.33 0.23 0.08 11.08 0.00 -0.66 -0.96 120.51 127.96 3e1b n ALA 43 Ca 0.10 1.06 0.05 0.00 0.00 0.00 0.00 53.44 54.65 3e1b n ALA 43 Cb 0.52 -0.64 0.27 0.00 0.00 0.00 0.00 19.45 19.61 3e1b n ALA 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3e1b n ARG 44 N -5.58 0.06 -0.01 0.00 3.00 -1.26 -0.86 116.66 112.02 3e1b n ARG 44 Ca 0.15 0.54 0.09 0.00 -0.01 0.00 0.00 57.85 58.62 3e1b n ARG 44 Cb 0.48 -1.77 -0.15 0.00 0.00 0.00 0.00 32.46 31.02 3e1b n ARG 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3e1b n GLN 45 N -1.84 0.66 -0.04 5.56 6.02 -0.13 -3.02 117.38 124.58 3e1b n GLN 45 Ca -0.01 -0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 56.71 3e1b n GLN 45 Cb 0.07 -1.56 -0.11 0.00 1.02 0.00 0.00 30.24 29.66 3e1b n GLN 45 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3e1b h ILE 46 N 0.00 1.59 -0.11 5.09 5.03 -1.03 -3.38 117.51 124.69 3e1b h ILE 46 Ca -0.06 -1.76 0.00 0.00 -0.12 0.00 0.00 64.86 62.92 3e1b h ILE 46 Cb 1.15 2.77 0.00 0.00 -3.03 0.00 0.00 36.82 37.70 3e1b h ILE 46 CO 0.00 0.46 0.00 -1.84 -0.68 0.00 0.00 178.15 176.09 3e1b n GLU 47 N -4.71 1.73 -0.29 2.37 0.28 -0.72 -4.65 120.64 114.66 3e1b n GLU 47 Ca -0.09 -1.09 -0.01 0.00 -0.16 0.00 0.00 57.16 55.81 3e1b n GLU 47 Cb 0.38 -1.43 0.05 0.00 1.43 0.00 0.00 31.44 31.87 3e1b n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3e1b h ALA 48 N 4.19 0.23 -0.08 -1.84 0.00 -1.73 -2.43 119.26 117.61 3e1b h ALA 48 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3e1b h ALA 48 Cb 0.51 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3e1b h ALA 48 CO 0.00 -0.56 0.59 0.00 0.00 0.00 0.00 179.25 179.28 3e1b h ALA 49 N 1.41 1.68 -0.18 0.00 0.00 -1.82 0.15 119.26 120.50 3e1b h ALA 49 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3e1b h ALA 49 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3e1b h ALA 49 CO -0.83 -0.63 0.00 0.54 0.00 0.00 0.00 179.25 178.33 3e1b n ARG 50 N -2.85 2.59 0.00 0.00 1.74 -0.91 -4.67 116.66 112.56 3e1b n ARG 50 Ca 0.01 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 54.77 3e1b n ARG 50 Cb 0.64 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3e1b n ARG 50 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3e1b n ARG 51 N -0.41 2.19 0.00 5.56 5.12 0.48 -5.04 116.66 124.55 3e1b n ARG 51 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3e1b n ARG 51 Cb 0.59 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 31.03 3e1b n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3e1b n ALA 52 N -1.28 0.00 -1.09 7.54 0.00 -0.85 -5.08 120.51 119.75 3e1b n ALA 52 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3e1b n ALA 52 Cb 0.15 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.85 3e1b n ALA 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3e1b s MET 53 N -0.69 -1.54 0.00 0.00 0.00 -1.17 -4.67 119.30 111.23 3e1b s MET 53 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 55.69 55.48 3e1b s MET 53 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 34.83 33.26 3e1b s MET 53 CO 0.00 -3.89 0.00 2.41 0.00 0.00 0.00 175.02 173.54 3e1b n THR 54 N -4.86 0.00 -0.29 10.11 -1.04 -1.26 -4.81 114.28 112.13 3e1b n THR 54 Ca 0.15 0.00 0.33 0.00 -2.04 0.00 0.00 64.05 62.49 3e1b n THR 54 Cb 0.60 0.00 0.54 0.00 -1.82 0.00 0.00 70.33 69.65 3e1b n THR 54 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3e1b h ARG 55 N 3.12 0.00 0.00 -2.82 2.43 -1.95 -3.05 114.38 112.11 3e1b h ARG 55 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3e1b h ARG 55 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3e1b h ARG 55 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 3e1b h ALA 56 N 0.70 1.00 -1.20 2.80 0.00 -1.98 -3.43 119.26 117.15 3e1b h ALA 56 Ca 0.56 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.87 3e1b h ALA 56 Cb 2.96 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 20.62 3e1b h ALA 56 CO -0.01 0.00 -0.54 0.14 0.00 0.00 0.00 179.25 178.85 3e1b s VAL 57 N -3.45 1.07 -0.58 0.00 -7.23 -1.15 -5.07 120.40 104.00 3e1b s VAL 57 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3e1b s VAL 57 Cb 0.09 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.61 3e1b s VAL 57 CO 0.36 0.00 0.71 0.29 -0.31 0.00 0.00 175.10 176.15 3e1b n LYS 58 N -1.02 1.00 -1.40 4.82 5.02 -1.26 -4.92 118.16 120.40 3e1b n LYS 58 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3e1b n LYS 58 Cb 0.66 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 3e1b n LYS 58 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3e1b n ARG 59 N 0.21 -1.61 -3.93 1.97 1.85 -1.26 -4.89 116.66 109.01 3e1b n ARG 59 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 3e1b n ARG 59 Cb 0.36 -3.53 -0.15 0.00 -1.05 0.00 0.00 32.46 28.09 3e1b n ARG 59 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3e1b s GLN 60 N -2.73 1.34 0.06 2.89 -0.21 -1.26 -4.97 119.66 114.79 3e1b s GLN 60 Ca 0.00 -1.43 -0.26 0.00 0.02 0.00 0.00 55.36 53.68 3e1b s GLN 60 Cb 0.00 -2.72 0.09 0.00 1.00 0.00 0.00 33.01 31.38 3e1b s GLN 60 CO 0.00 -0.86 1.19 0.20 -2.12 0.00 0.00 175.29 173.70 3e1b s GLY 61 N 1.22 -0.08 -0.59 3.09 0.00 -1.26 -5.12 107.32 104.58 3e1b s GLY 61 Ca 0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 44.72 44.49 3e1b s GLY 61 CO -0.12 3.72 1.94 0.54 0.00 0.00 0.00 173.10 179.18 3e1b s LYS 62 N -2.16 2.56 -0.58 2.90 1.02 -1.26 -4.95 119.74 117.28 3e1b s LYS 62 Ca 0.25 0.75 0.04 0.00 0.02 0.00 0.00 55.97 57.03 3e1b s LYS 62 Cb -0.01 -4.41 0.15 0.00 -0.52 0.00 0.00 37.83 33.04 3e1b s LYS 62 CO 0.01 -2.79 0.36 0.42 -0.92 0.00 0.00 175.35 172.43 3e1b s ILE 63 N 9.50 2.40 -0.87 2.17 1.01 -1.26 -0.36 121.20 133.78 3e1b s ILE 63 Ca 0.72 -3.58 -0.19 0.00 0.00 0.00 0.00 60.65 57.60 3e1b s ILE 63 Cb -0.14 -2.62 -0.23 0.00 0.01 0.00 0.00 42.46 39.49 3e1b s ILE 63 CO 0.22 -0.93 2.33 0.79 0.00 0.00 0.00 174.94 177.35 3e1b n TRP 64 N 2.66 0.65 -3.65 3.97 7.02 -0.44 -4.74 117.44 122.91 3e1b n TRP 64 Ca 0.14 0.03 -0.29 0.00 -1.02 0.00 0.00 57.50 56.36 3e1b n TRP 64 Cb 0.35 -1.71 -0.13 0.00 -2.42 0.00 0.00 31.31 27.40 3e1b n TRP 64 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3e1b s ILE 65 N 7.94 1.12 -0.21 -0.99 1.01 -1.26 -4.39 121.20 124.43 3e1b s ILE 65 Ca 1.13 -2.40 -0.29 0.00 0.00 0.00 0.00 60.65 59.10 3e1b s ILE 65 Cb -0.53 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3e1b s ILE 65 CO 0.34 -0.93 1.58 0.00 0.00 0.00 0.00 174.94 175.93 3e1b s ARG 66 N 0.48 3.86 -0.36 2.79 1.70 -1.26 -4.96 118.95 121.19 3e1b s ARG 66 Ca 0.18 1.68 0.00 0.00 -0.47 0.00 0.00 55.73 57.13 3e1b s ARG 66 Cb -0.23 -4.01 0.10 0.00 -0.57 0.00 0.00 34.95 30.24 3e1b s ARG 66 CO -0.00 -1.21 0.11 0.54 -1.08 0.00 0.00 175.30 173.65 3e1b s VAL 67 N 4.96 2.78 -0.51 4.99 0.11 -1.26 -5.01 120.40 126.46 3e1b s VAL 67 Ca 0.70 -2.11 0.06 0.00 -2.93 0.00 0.00 61.98 57.70 3e1b s VAL 67 Cb -0.25 -2.93 0.21 0.00 -1.53 0.00 0.00 36.38 31.89 3e1b s VAL 67 CO 0.28 -0.57 0.51 2.22 -3.33 0.00 0.00 175.10 174.21 3e1b n PHE 68 N 4.44 1.02 0.61 1.54 1.16 -1.26 -5.01 117.46 119.96 3e1b n PHE 68 Ca -0.01 -3.76 -0.01 0.00 -1.87 0.00 0.00 57.45 51.80 3e1b n PHE 68 Cb 0.42 -0.27 0.06 0.00 -1.61 0.00 0.00 39.48 38.08 3e1b n PHE 68 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3e1b n PRO 69 N 1.79 1.55 0.00 3.97 -0.02 -1.26 -4.68 135.00 136.35 3e1b n PRO 69 Ca 0.25 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 3e1b n PRO 69 Cb 0.46 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3e1b n PRO 69 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3e1b n ASP 70 N 0.15 0.00 -2.69 2.55 9.92 -1.26 -3.62 116.55 121.59 3e1b n ASP 70 Ca 0.08 0.08 -0.27 0.00 -0.53 0.00 0.00 54.79 54.14 3e1b n ASP 70 Cb 0.56 -0.08 -0.02 0.00 -0.64 0.00 0.00 41.12 40.94 3e1b n ASP 70 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3e1b n LYS 71 N -0.91 3.37 -2.10 -1.24 0.00 -1.26 -4.78 118.16 111.24 3e1b n LYS 71 Ca 0.00 -4.64 -0.33 0.00 -0.00 0.00 0.00 58.31 53.33 3e1b n LYS 71 Cb 0.19 -2.25 0.01 0.00 -0.00 0.00 0.00 35.03 32.98 3e1b n LYS 71 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 3e1b s PRO 72 N -3.54 3.29 0.04 -1.58 0.02 -1.24 -4.76 135.00 127.24 3e1b s PRO 72 Ca 0.48 1.34 0.22 0.00 0.02 0.00 0.00 61.00 63.06 3e1b s PRO 72 Cb 0.35 -2.02 -0.18 0.00 0.02 0.00 0.00 34.50 32.66 3e1b s PRO 72 CO -0.17 -0.85 0.74 0.44 -0.33 0.00 0.00 177.00 176.83 3e1b n ILE 73 N -1.82 0.18 -0.81 2.83 -5.35 -1.26 -4.85 119.36 108.28 3e1b n ILE 73 Ca 0.10 -0.44 0.03 0.00 -0.27 0.00 0.00 62.75 62.17 3e1b n ILE 73 Cb 0.52 0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.42 3e1b n ILE 73 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3e1b n THR 74 N -2.26 -0.31 -2.77 7.28 5.66 -1.26 -4.52 114.28 116.09 3e1b n THR 74 Ca -0.02 0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 3e1b n THR 74 Cb 0.53 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 3e1b n THR 74 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3e1b n GLU 75 N -3.00 3.95 -3.62 1.09 2.13 -1.26 -4.94 120.64 114.98 3e1b n GLU 75 Ca -0.02 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.67 3e1b n GLU 75 Cb 0.14 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.79 3e1b n GLU 75 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3e1b s LYS 76 N 1.29 0.99 0.00 5.31 -2.85 -1.26 -3.69 119.74 119.53 3e1b s LYS 76 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 3e1b s LYS 76 Cb 0.00 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 3e1b s LYS 76 CO 0.00 -0.35 0.00 -0.35 0.10 0.00 0.00 175.35 174.75 3e1b n PRO 77 N 0.42 2.07 -1.51 1.78 -0.04 -1.25 -4.98 135.00 131.49 3e1b n PRO 77 Ca -0.18 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 3e1b n PRO 77 Cb 0.60 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.98 3e1b n PRO 77 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3e1b n LEU 78 N 0.00 1.64 0.00 1.53 7.94 -1.26 -3.98 117.00 122.86 3e1b n LEU 78 Ca 0.00 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3e1b n LEU 78 Cb 0.00 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 42.65 3e1b n LEU 78 CO 0.00 -1.09 0.00 0.00 -1.11 0.00 0.00 177.39 175.19 3e1b n ALA 79 N 12.70 0.00 -1.20 1.96 0.00 -1.26 -4.95 120.51 127.76 3e1b n ALA 79 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.70 3e1b n ALA 79 Cb 0.30 -0.06 0.20 0.00 0.00 0.00 0.00 19.45 19.90 3e1b n ALA 79 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3e1b n VAL 80 N -2.68 3.16 -0.44 0.00 0.24 -1.26 -4.88 118.33 112.48 3e1b n VAL 80 Ca 0.00 -1.88 0.38 0.00 -2.04 0.00 0.00 64.34 60.79 3e1b n VAL 80 Cb 0.02 -0.45 0.70 0.00 -1.47 0.00 0.00 33.84 32.64 3e1b n VAL 80 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3e1b h ARG 81 N 1.29 0.09 -6.29 7.34 3.08 -1.86 -3.32 114.38 114.71 3e1b h ARG 81 Ca 0.57 -0.01 -0.54 0.00 0.07 0.00 0.00 59.98 60.07 3e1b h ARG 81 Cb 2.78 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 32.82 3e1b h ARG 81 CO 1.04 0.06 1.27 0.00 -1.07 0.00 0.00 179.97 181.26 3e1b s MET 82 N -5.11 3.97 0.00 0.04 0.23 -1.26 -4.69 119.30 112.48 3e1b s MET 82 Ca -0.06 2.47 0.00 0.00 -1.03 0.00 0.00 55.69 57.07 3e1b s MET 82 Cb 0.26 -4.18 0.00 0.00 -1.53 0.00 0.00 34.83 29.37 3e1b s MET 82 CO 0.83 -1.15 0.00 0.41 -2.03 0.00 0.00 175.02 173.08 3e1b n GLY 83 N 4.72 0.00 0.43 3.16 0.00 -1.26 -0.94 105.19 111.30 3e1b n GLY 83 Ca 0.21 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.44 3e1b n GLY 83 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3e1b h LYS 84 N 0.00 0.00 0.00 1.61 2.10 -1.88 -3.07 116.57 115.33 3e1b h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3e1b h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3e1b h LYS 84 CO 0.00 0.00 -0.06 0.41 -2.00 0.00 0.00 179.45 177.80 3e1b n GLY 85 N -1.55 -1.37 0.25 0.07 0.00 -0.12 -4.90 105.19 97.56 3e1b n GLY 85 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 3e1b n GLY 85 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3e1b h LYS 86 N 0.00 0.01 0.00 1.61 3.64 -1.15 -3.46 116.57 117.21 3e1b h LYS 86 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3e1b h LYS 86 Cb 1.05 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3e1b h LYS 86 CO 0.00 0.01 0.00 0.41 -2.27 0.00 0.00 179.45 177.60 3e1b n GLY 87 N -1.43 -1.57 0.00 5.01 0.00 -0.89 -3.78 105.19 102.53 3e1b n GLY 87 Ca 0.08 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3e1b n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3e1b n ASN 88 N 0.00 0.35 -3.74 1.61 6.94 -1.26 -4.95 115.26 114.21 3e1b n ASN 88 Ca 0.00 -0.15 -0.29 0.00 -0.02 0.00 0.00 54.58 54.13 3e1b n ASN 88 Cb 0.00 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 3e1b n ASN 88 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3e1b s VAL 89 N -0.83 0.65 -0.64 3.53 1.01 -1.26 -4.56 120.40 118.31 3e1b s VAL 89 Ca 0.00 -0.85 0.25 0.00 0.00 0.00 0.00 61.98 61.38 3e1b s VAL 89 Cb 0.00 -1.26 0.30 0.00 0.00 0.00 0.00 36.38 35.42 3e1b s VAL 89 CO 0.00 -0.37 1.73 1.05 0.00 0.00 0.00 175.10 177.51 3e1b h GLU 90 N 8.19 0.00 -6.26 2.72 9.09 -1.97 -3.48 114.58 122.88 3e1b h GLU 90 Ca -0.16 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 58.92 3e1b h GLU 90 Cb 1.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.19 3e1b h GLU 90 CO 0.39 0.00 -0.73 0.66 0.05 0.00 0.00 179.01 179.37 3e1b n TYR 91 N -2.51 -2.29 -2.62 2.06 4.02 -1.26 -4.65 117.16 109.92 3e1b n TYR 91 Ca 0.05 0.84 -0.40 0.00 -0.01 0.00 0.00 57.90 58.39 3e1b n TYR 91 Cb 0.46 -3.28 -0.05 0.00 -0.02 0.00 0.00 39.34 36.44 3e1b n TYR 91 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3e1b s TRP 92 N -3.08 3.74 0.00 -0.72 -0.00 -1.26 -1.65 118.94 115.97 3e1b s TRP 92 Ca 0.09 1.80 0.00 0.00 -0.00 0.00 0.00 56.10 57.98 3e1b s TRP 92 Cb -0.04 -3.12 0.00 0.00 -0.00 0.00 0.00 33.47 30.31 3e1b s TRP 92 CO 0.85 -0.07 0.12 1.55 -0.00 0.00 0.00 176.95 179.39 3e1b n VAL 93 N 1.20 0.00 -1.31 5.86 3.14 -1.11 -4.57 118.33 121.55 3e1b n VAL 93 Ca -0.01 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.48 3e1b n VAL 93 Cb 0.46 0.94 -0.03 0.00 -1.06 0.00 0.00 33.84 34.16 3e1b n VAL 93 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1b n ALA 94 N 0.00 -2.64 -3.33 1.55 0.00 0.53 -4.50 120.51 112.12 3e1b n ALA 94 Ca 0.00 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 3e1b n ALA 94 Cb 0.35 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 3e1b n ALA 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3e1b n LEU 95 N 0.00 5.34 0.03 0.00 -0.00 -1.24 -4.80 117.00 116.33 3e1b n LEU 95 Ca 0.01 -5.13 -0.08 0.00 -0.00 0.00 0.00 56.01 50.81 3e1b n LEU 95 Cb 0.36 -1.29 -0.06 0.00 -0.00 0.00 0.00 43.42 42.44 3e1b n LEU 95 CO 0.01 1.53 0.25 0.40 -0.00 0.00 0.00 177.39 179.57 3e1b h ILE 96 N 3.65 0.59 0.00 1.96 1.08 -1.90 -3.36 117.51 119.53 3e1b h ILE 96 Ca 0.18 -1.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 3e1b h ILE 96 Cb 0.78 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 3e1b h ILE 96 CO 1.05 0.17 0.00 0.00 -0.69 0.00 0.00 178.15 178.68 3e1b n GLN 97 N -4.87 0.00 -1.42 2.37 1.13 -1.26 -4.70 117.38 108.62 3e1b n GLN 97 Ca -0.06 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.63 3e1b n GLN 97 Cb 0.21 -0.30 0.05 0.00 0.11 0.00 0.00 30.24 30.31 3e1b n GLN 97 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3e1b n PRO 98 N 0.00 0.51 0.00 -1.09 -0.02 -1.26 -4.05 135.00 129.08 3e1b n PRO 98 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3e1b n PRO 98 Cb 0.16 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3e1b n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e1b n GLY 99 N 1.61 1.01 0.35 -1.23 0.00 0.73 -3.13 105.19 104.53 3e1b n GLY 99 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 3e1b n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e1b h LYS 100 N 1.52 -0.11 -2.08 1.61 1.57 -1.85 -3.14 116.57 114.09 3e1b h LYS 100 Ca 0.00 0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 58.28 3e1b h LYS 100 Cb 0.00 0.03 -0.41 0.00 0.08 0.00 0.00 32.23 31.93 3e1b h LYS 100 CO 0.00 -0.08 -1.04 1.55 -0.57 0.00 0.00 179.45 179.31 3e1b n VAL 101 N -5.44 0.70 -0.89 0.50 3.14 -1.26 -4.61 118.33 110.46 3e1b n VAL 101 Ca 0.06 -4.85 -0.41 0.00 -2.96 0.00 0.00 64.34 56.18 3e1b n VAL 101 Cb 0.37 -0.63 -0.07 0.00 -1.06 0.00 0.00 33.84 32.45 3e1b n VAL 101 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3e1b n LEU 102 N 0.18 3.09 -4.56 6.55 0.00 -1.19 -4.89 117.00 116.18 3e1b n LEU 102 Ca 0.27 -2.42 -0.28 0.00 0.00 0.00 0.00 56.01 53.58 3e1b n LEU 102 Cb 0.58 -0.91 -0.05 0.00 0.00 0.00 0.00 43.42 43.05 3e1b n LEU 102 CO 0.25 -0.82 1.54 -0.47 0.00 0.00 0.00 177.39 177.89 3e1b s TYR 103 N 5.50 1.40 -0.98 1.96 6.04 -1.26 -1.33 117.35 128.68 3e1b s TYR 103 Ca 0.58 1.29 0.11 0.00 0.04 0.00 0.00 57.07 59.08 3e1b s TYR 103 Cb 0.14 -3.77 0.46 0.00 -1.04 0.00 0.00 41.96 37.75 3e1b s TYR 103 CO 0.17 -2.02 1.34 -1.91 -1.54 0.00 0.00 175.55 171.59 3e1b n GLU 104 N 8.96 0.00 -0.34 4.97 2.13 0.51 -4.58 120.64 132.29 3e1b n GLU 104 Ca 0.37 0.33 -0.07 0.00 0.66 0.00 0.00 57.16 58.44 3e1b n GLU 104 Cb 0.49 -1.51 0.06 0.00 0.27 0.00 0.00 31.44 30.75 3e1b n GLU 104 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3e1b n MET 105 N -1.52 -1.10 -1.57 5.31 2.81 -1.26 -4.91 117.12 114.87 3e1b n MET 105 Ca 0.02 -0.47 -0.42 0.00 -1.81 0.00 0.00 57.70 55.03 3e1b n MET 105 Cb 0.12 -0.39 -0.01 0.00 -0.71 0.00 0.00 33.22 32.23 3e1b n MET 105 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3e1b n ASP 106 N -3.38 3.90 -2.59 7.83 5.68 -1.26 -4.84 116.55 121.89 3e1b n ASP 106 Ca 0.04 -2.78 -0.13 0.00 -0.50 0.00 0.00 54.79 51.41 3e1b n ASP 106 Cb 0.15 -1.54 -0.04 0.00 -1.14 0.00 0.00 41.12 38.55 3e1b n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3e1b n GLY 107 N 4.15 3.46 2.85 6.12 0.00 -1.26 -5.17 105.19 115.34 3e1b n GLY 107 Ca 0.53 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 3e1b n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e1b s VAL 108 N -2.65 0.43 0.66 1.61 1.01 -1.26 -5.03 120.40 115.16 3e1b s VAL 108 Ca 0.19 -0.03 0.12 0.00 0.00 0.00 0.00 61.98 62.25 3e1b s VAL 108 Cb 0.01 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 36.02 3e1b s VAL 108 CO 0.13 0.21 1.34 -0.65 0.00 0.00 0.00 175.10 176.14 3e1b h PRO 109 N 7.43 0.00 -0.31 2.72 0.11 -1.87 -2.47 132.00 137.61 3e1b h PRO 109 Ca -0.35 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.69 3e1b h PRO 109 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3e1b h PRO 109 CO 0.43 0.00 -0.12 1.49 -0.21 0.00 0.00 178.00 179.59 3e1b h GLU 110 N 0.00 0.53 0.00 1.05 4.81 -1.97 -3.39 114.58 115.61 3e1b h GLU 110 Ca 0.01 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3e1b h GLU 110 Cb 1.54 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.86 3e1b h GLU 110 CO -0.00 0.64 -0.47 0.39 -0.73 0.00 0.00 179.01 178.84 3e1b n GLU 111 N -4.20 0.19 0.00 1.92 -0.58 -0.93 -3.74 120.64 113.30 3e1b n GLU 111 Ca 0.01 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 3e1b n GLU 111 Cb 0.32 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3e1b n GLU 111 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3e1b n LEU 112 N -1.93 0.00 -0.12 -4.62 4.77 -1.26 -4.93 117.00 108.91 3e1b n LEU 112 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3e1b n LEU 112 Cb 0.40 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.77 3e1b n LEU 112 CO 0.34 0.00 1.12 0.00 -1.33 0.00 0.00 177.39 177.53 3e1b h ALA 113 N 0.00 1.44 0.00 -1.18 0.00 -1.76 -3.25 119.26 114.51 3e1b h ALA 113 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3e1b h ALA 113 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3e1b h ALA 113 CO 0.00 0.45 -0.34 0.00 0.00 0.00 0.00 179.25 179.36 3e1b h ARG 114 N 0.81 0.00 -0.65 0.00 -0.00 -1.92 -3.42 114.38 109.20 3e1b h ARG 114 Ca 0.20 0.00 0.12 0.00 -0.50 0.00 0.00 59.98 59.81 3e1b h ARG 114 Cb 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 29.90 3e1b h ARG 114 CO -0.03 0.34 -0.19 0.39 0.00 0.00 0.00 179.97 180.48 3e1b n GLU 115 N -3.36 -0.08 -3.07 0.04 -0.58 -1.23 -2.80 120.64 109.55 3e1b n GLU 115 Ca 0.01 1.01 -0.19 0.00 -0.42 0.00 0.00 57.16 57.57 3e1b n GLU 115 Cb 0.55 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 29.89 3e1b n GLU 115 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3e1b n ALA 116 N -3.73 2.68 0.00 0.62 0.00 -1.26 -4.80 120.51 114.01 3e1b n ALA 116 Ca 0.09 -3.61 0.00 0.00 0.00 0.00 0.00 53.44 49.93 3e1b n ALA 116 Cb 0.31 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3e1b n ALA 116 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3e1b n PHE 117 N 0.13 0.00 -0.05 0.00 1.16 -1.12 -1.64 117.46 115.95 3e1b n PHE 117 Ca 0.25 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.79 3e1b n PHE 117 Cb 0.63 -0.05 -0.09 0.00 -1.61 0.00 0.00 39.48 38.36 3e1b n PHE 117 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 3e1b n LYS 118 N -1.02 1.80 0.19 3.97 3.00 -1.26 -3.33 118.16 121.50 3e1b n LYS 118 Ca 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.31 58.21 3e1b n LYS 118 Cb 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 35.03 33.71 3e1b n LYS 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3e1b h LEU 119 N 0.00 -0.41 -7.34 3.14 5.85 -1.76 -3.02 115.31 111.78 3e1b h LEU 119 Ca -0.25 0.01 -0.67 0.00 0.84 0.00 0.00 57.88 57.81 3e1b h LEU 119 Cb 1.48 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.55 3e1b h LEU 119 CO 0.01 -0.28 2.41 0.00 -0.34 0.00 0.00 178.44 180.25 3e1b n ALA 120 N -2.26 4.01 -0.79 1.25 0.00 -0.65 -4.35 120.51 117.72 3e1b n ALA 120 Ca -0.06 -3.81 -0.34 0.00 0.00 0.00 0.00 53.44 49.23 3e1b n ALA 120 Cb 0.19 -3.59 0.12 0.00 0.00 0.00 0.00 19.45 16.18 3e1b n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 121 N 8.02 -4.20 -1.06 0.00 0.00 -1.14 -4.22 120.51 117.92 3e1b n ALA 121 Ca 0.50 -1.08 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 3e1b n ALA 121 Cb 0.44 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.54 3e1b n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 122 N -3.88 -2.57 -1.98 0.00 0.00 -1.21 -4.88 120.51 105.98 3e1b n ALA 122 Ca 0.01 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 3e1b n ALA 122 Cb 0.62 -1.70 0.04 0.00 0.00 0.00 0.00 19.45 18.40 3e1b n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3e1b s LYS 123 N -2.86 2.55 -0.72 0.00 3.01 -1.26 -4.75 119.74 115.70 3e1b s LYS 123 Ca 0.58 -0.84 0.04 0.00 -1.01 0.00 0.00 55.97 54.74 3e1b s LYS 123 Cb -0.28 -2.51 0.22 0.00 -1.01 0.00 0.00 37.83 34.25 3e1b s LYS 123 CO 0.65 -0.68 0.72 1.28 0.51 0.00 0.00 175.35 177.83 3e1b n LEU 124 N -2.30 3.77 -4.38 3.17 4.77 -1.26 -5.08 117.00 115.68 3e1b n LEU 124 Ca 0.08 -5.32 -0.54 0.00 -0.03 0.00 0.00 56.01 50.20 3e1b n LEU 124 Cb 0.60 -0.79 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 3e1b n LEU 124 CO 0.44 1.88 1.78 -2.65 -1.33 0.00 0.00 177.39 177.52 3e1b n PRO 125 N 1.41 0.69 0.02 3.23 -0.02 -1.26 -4.86 135.00 134.22 3e1b n PRO 125 Ca 0.25 0.19 0.01 0.00 -2.02 0.00 0.00 63.50 61.93 3e1b n PRO 125 Cb 0.38 -2.13 0.33 0.00 -0.02 0.00 0.00 33.50 32.07 3e1b n PRO 125 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3e1b h ILE 126 N 7.08 1.18 0.00 4.25 2.10 -1.99 -3.20 117.51 126.92 3e1b h ILE 126 Ca -0.21 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.04 3e1b h ILE 126 Cb 1.35 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 3e1b h ILE 126 CO 1.05 0.24 0.00 0.29 -1.08 0.00 0.00 178.15 178.65 3e1b n LYS 127 N -4.31 0.00 -2.01 2.19 5.02 -1.26 -4.81 118.16 112.98 3e1b n LYS 127 Ca 0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 3e1b n LYS 127 Cb 0.22 -1.22 0.03 0.00 -0.02 0.00 0.00 35.03 34.04 3e1b n LYS 127 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3e1b s THR 128 N -1.73 2.62 0.05 -0.18 -4.23 -1.21 -5.05 115.64 105.91 3e1b s THR 128 Ca 0.00 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 3e1b s THR 128 Cb 0.00 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 3e1b s THR 128 CO 0.00 -0.08 0.06 0.42 -0.54 0.00 0.00 174.62 174.47 3e1b s THR 129 N -1.59 0.16 -0.09 3.99 -4.23 -1.26 -4.98 115.64 107.64 3e1b s THR 129 Ca 0.77 -1.32 0.13 0.00 -1.18 0.00 0.00 61.69 60.10 3e1b s THR 129 Cb -0.30 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 3e1b s THR 129 CO 0.33 -0.73 1.35 2.19 -0.54 0.00 0.00 174.62 177.22 3e1b h PHE 130 N 3.45 0.00 -2.35 3.99 -0.00 -1.90 -3.45 116.94 116.68 3e1b h PHE 130 Ca -0.33 0.00 -0.54 0.00 -0.00 0.00 0.00 57.97 57.10 3e1b h PHE 130 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.10 3e1b h PHE 130 CO 0.53 0.63 1.32 0.08 -0.00 0.00 0.00 178.31 180.88 3e1b s VAL 131 N -2.89 3.41 0.63 0.88 1.01 -1.26 -4.66 120.40 117.52 3e1b s VAL 131 Ca 0.03 0.36 0.30 0.00 0.00 0.00 0.00 61.98 62.66 3e1b s VAL 131 Cb 0.08 -3.73 0.34 0.00 0.00 0.00 0.00 36.38 33.07 3e1b s VAL 131 CO 0.77 -0.59 1.95 0.71 0.00 0.00 0.00 175.10 177.94 3e1b h THR 132 N 6.88 0.18 -0.18 3.92 1.35 -1.90 -1.96 112.91 121.21 3e1b h THR 132 Ca -0.30 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.61 3e1b h THR 132 Cb 1.17 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3e1b h THR 132 CO 1.11 0.00 0.40 0.11 -0.25 0.00 0.00 175.52 176.90 3e1b h LYS 133 N 0.00 0.00 -0.97 4.72 1.79 -1.92 -3.28 116.57 116.91 3e1b h LYS 133 Ca 0.08 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.65 3e1b h LYS 133 Cb 0.78 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.35 3e1b h LYS 133 CO -0.00 0.00 0.61 0.00 -1.08 0.00 0.00 179.45 178.98 3e1b h THR 134 N 0.00 0.96 0.00 -0.16 1.03 -1.70 -3.25 112.91 109.79 3e1b h THR 134 Ca 0.09 -0.35 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 3e1b h THR 134 Cb 0.89 -0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 3e1b h THR 134 CO -0.00 0.18 0.00 -0.37 -0.01 0.00 0.00 175.52 175.32 3e1b h VAL 135 N 1.01 0.00 0.00 0.00 -1.51 -1.85 -3.52 116.25 110.37 3e1b h VAL 135 Ca 0.46 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 3e1b h VAL 135 Cb 0.38 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3e1b h VAL 135 CO -0.24 0.00 0.00 1.15 -1.23 0.00 0.00 177.57 177.25