#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3d s SER 2 N 0.00 4.32 -0.29 1.61 1.04 -1.26 -5.11 113.70 114.01 1x3d s SER 2 Ca 0.00 0.25 -0.23 0.00 0.48 0.00 0.00 55.95 56.46 1x3d s SER 2 Cb 0.00 -0.71 0.15 0.00 0.10 0.00 0.00 66.02 65.57 1x3d s SER 2 CO 0.00 -1.92 1.16 -0.55 0.98 0.00 0.00 173.24 172.91 1x3d s SER 3 N -4.65 -0.31 0.00 7.02 0.15 -1.26 -5.15 113.70 109.51 1x3d s SER 3 Ca 0.65 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1x3d s SER 3 Cb -0.08 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1x3d s SER 3 CO 0.47 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1x3d n GLY 4 N 2.39 -2.19 3.52 9.45 0.00 -1.26 -5.01 105.19 112.08 1x3d n GLY 4 Ca -0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1x3d n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3d s SER 5 N -2.16 -0.80 -0.27 1.61 0.15 -1.26 -5.11 113.70 105.85 1x3d s SER 5 Ca 0.00 1.31 -0.37 0.00 0.70 0.00 0.00 55.95 57.59 1x3d s SER 5 Cb 0.00 1.20 -0.13 0.00 -1.71 0.00 0.00 66.02 65.38 1x3d s SER 5 CO 0.00 -0.22 1.98 -1.54 1.20 0.00 0.00 173.24 174.65 1x3d n SER 6 N 4.33 2.50 -4.90 5.45 3.41 -1.26 -4.93 113.62 118.22 1x3d n SER 6 Ca -0.21 0.76 -0.28 0.00 -0.26 0.00 0.00 58.87 58.88 1x3d n SER 6 Cb 0.57 -1.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.29 1x3d n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x3d s GLY 7 N 5.35 1.56 -0.02 5.00 0.00 -1.26 -5.09 107.32 112.86 1x3d s GLY 7 Ca 1.02 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 45.01 1x3d s GLY 7 CO 0.55 -0.22 1.09 0.00 0.00 0.00 0.00 173.10 174.53 1x3d s ALA 8 N -2.91 -1.95 0.17 3.20 0.00 -1.26 -5.13 121.76 113.87 1x3d s ALA 8 Ca 0.51 0.87 -0.34 0.00 0.00 0.00 0.00 51.96 53.00 1x3d s ALA 8 Cb -0.11 0.32 -0.14 0.00 0.00 0.00 0.00 23.12 23.20 1x3d s ALA 8 CO 0.47 -0.84 1.57 -1.91 0.00 0.00 0.00 175.76 175.05 1x3d n GLU 9 N -0.32 2.17 -2.40 0.00 2.13 -1.26 -4.94 120.64 116.01 1x3d n GLU 9 Ca -0.06 0.78 -0.36 0.00 0.66 0.00 0.00 57.16 58.18 1x3d n GLU 9 Cb 0.61 -2.54 -0.02 0.00 0.27 0.00 0.00 31.44 29.75 1x3d n GLU 9 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1x3d s ILE 10 N 0.83 3.43 -0.22 6.31 -0.00 -1.26 -4.99 121.20 125.31 1x3d s ILE 10 Ca 0.78 1.05 -0.19 0.00 -0.00 0.00 0.00 60.65 62.29 1x3d s ILE 10 Cb -0.67 -3.52 -0.18 0.00 -0.00 0.00 0.00 42.46 38.09 1x3d s ILE 10 CO 0.39 -0.04 0.10 0.49 -0.00 0.00 0.00 174.94 175.88 1x3d n PHE 11 N -0.42 0.81 -4.23 1.37 3.72 -1.26 -4.94 117.46 112.52 1x3d n PHE 11 Ca 0.07 0.33 -0.34 0.00 -0.05 0.00 0.00 57.45 57.46 1x3d n PHE 11 Cb 0.49 -1.08 -0.08 0.00 -0.94 0.00 0.00 39.48 37.87 1x3d n PHE 11 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1x3d s THR 12 N -2.41 4.50 1.29 4.37 -4.23 -1.26 -5.11 115.64 112.79 1x3d s THR 12 Ca -0.31 -0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 59.66 1x3d s THR 12 Cb 0.08 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.23 1x3d s THR 12 CO 0.58 0.47 0.71 0.35 -0.54 0.00 0.00 174.62 176.19 1x3d n THR 13 N 1.63 0.00 -3.96 3.99 -2.24 -1.26 -5.05 114.28 107.40 1x3d n THR 13 Ca -0.16 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 1x3d n THR 13 Cb 0.53 -0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 67.75 1x3d n THR 13 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1x3d s LEU 14 N -5.52 1.32 -0.19 3.22 2.34 -1.26 -5.13 118.68 113.46 1x3d s LEU 14 Ca 0.61 -0.03 -0.02 0.00 0.06 0.00 0.00 54.13 54.74 1x3d s LEU 14 Cb -0.14 -0.22 0.06 0.00 -0.56 0.00 0.00 46.19 45.33 1x3d s LEU 14 CO 0.56 -0.08 0.02 -0.44 -1.06 0.00 0.00 176.35 175.35 1x3d s SER 15 N 0.83 2.91 0.16 1.48 0.01 -1.26 -4.85 113.70 112.97 1x3d s SER 15 Ca -0.08 -0.80 -0.12 0.00 1.31 0.00 0.00 55.95 56.25 1x3d s SER 15 Cb -0.12 -0.65 0.04 0.00 0.21 0.00 0.00 66.02 65.51 1x3d s SER 15 CO -0.01 -0.29 0.59 0.00 0.41 0.00 0.00 173.24 173.94 1x3d n GLU 17 N -0.41 0.00 -1.11 0.00 0.00 -1.26 -4.52 120.64 113.34 1x3d n GLU 17 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.84 1x3d n GLU 17 Cb 0.36 -0.96 0.22 0.00 0.00 0.00 0.00 31.44 31.06 1x3d n GLU 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1x3d s PRO 18 N -0.96 -0.59 0.54 3.44 0.04 -1.26 -4.96 135.00 131.24 1x3d s PRO 18 Ca 0.58 0.17 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 1x3d s PRO 18 Cb -0.70 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1x3d s PRO 18 CO 0.59 -3.34 1.03 -0.51 0.04 0.00 0.00 177.00 174.81 1x3d s ASP 19 N -3.70 6.16 -0.10 6.66 1.11 -1.26 -4.54 116.67 121.01 1x3d s ASP 19 Ca 0.69 1.81 -0.29 0.00 0.18 0.00 0.00 52.55 54.93 1x3d s ASP 19 Cb -0.14 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.26 1x3d s ASP 19 CO 0.57 -0.91 1.73 -0.63 1.18 0.00 0.00 175.17 177.11 1x3d s ILE 20 N -2.31 3.50 0.27 0.77 1.01 -1.26 -4.71 121.20 118.47 1x3d s ILE 20 Ca 0.64 0.58 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 1x3d s ILE 20 Cb -0.15 -3.43 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 1x3d s ILE 20 CO 0.29 -0.11 1.25 -2.16 0.00 0.00 0.00 174.94 174.21 1x3d s PRO 21 N 4.45 4.44 0.78 2.79 0.04 -1.26 -4.93 135.00 141.31 1x3d s PRO 21 Ca 0.77 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.71 1x3d s PRO 21 Cb -0.32 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1x3d s PRO 21 CO 0.31 -0.10 0.59 0.09 0.04 0.00 0.00 177.00 177.93 1x3d n ASN 22 N 1.50 -1.07 -4.77 6.66 3.02 -1.26 -4.22 115.26 115.12 1x3d n ASN 22 Ca 0.02 0.54 -0.37 0.00 -0.03 0.00 0.00 54.58 54.74 1x3d n ASN 22 Cb 0.43 -1.25 -0.01 0.00 -0.61 0.00 0.00 39.78 38.33 1x3d n ASN 22 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x3d s PRO 23 N -3.10 3.80 0.52 3.52 0.04 -1.26 -4.80 135.00 133.72 1x3d s PRO 23 Ca 0.65 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 1x3d s PRO 23 Cb -0.31 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 31.72 1x3d s PRO 23 CO 0.59 -0.52 1.14 -1.25 0.04 0.00 0.00 177.00 176.99 1x3d s PRO 24 N -2.64 3.45 0.39 0.56 0.04 -1.26 -4.93 135.00 130.61 1x3d s PRO 24 Ca 0.63 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.39 1x3d s PRO 24 Cb -0.29 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 1x3d s PRO 24 CO 0.35 -0.78 0.40 -0.98 0.04 0.00 0.00 177.00 176.04 1x3d s ARG 25 N -3.16 2.68 -0.23 4.56 1.70 0.11 -4.86 118.95 119.76 1x3d s ARG 25 Ca 0.71 -1.39 -0.16 0.00 -0.47 0.00 0.00 55.73 54.43 1x3d s ARG 25 Cb -0.25 -2.51 -0.04 0.00 -0.57 0.00 0.00 34.95 31.59 1x3d s ARG 25 CO 0.28 -0.12 0.40 0.42 -1.08 0.00 0.00 175.30 175.20 1x3d s ILE 26 N -2.39 5.18 -0.25 4.99 -1.09 -1.26 -1.31 121.20 125.07 1x3d s ILE 26 Ca 0.48 0.67 0.11 0.00 -2.23 0.00 0.00 60.65 59.68 1x3d s ILE 26 Cb -0.06 -3.72 -0.15 0.00 -1.58 0.00 0.00 42.46 36.95 1x3d s ILE 26 CO 0.29 0.21 0.35 0.00 -1.23 0.00 0.00 174.94 174.56 1x3d n ALA 27 N 4.83 2.90 -3.19 9.38 0.00 -1.16 -4.97 120.51 128.29 1x3d n ALA 27 Ca -0.08 -0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.11 1x3d n ALA 27 Cb 0.51 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 1x3d n ALA 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x3d s ASN 28 N -2.72 -0.29 -0.12 0.00 2.47 -1.25 -5.00 114.94 108.02 1x3d s ASN 28 Ca -0.00 0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.56 1x3d s ASN 28 Cb 0.08 1.27 -0.00 0.00 -1.45 0.00 0.00 41.25 41.15 1x3d s ASN 28 CO 0.46 -0.05 -0.20 0.00 -3.72 0.00 0.00 177.10 173.59 1x3d s ARG 29 N 2.67 3.13 0.47 0.43 1.70 -1.26 0.11 118.95 126.20 1x3d s ARG 29 Ca -0.03 -0.82 0.02 0.00 -0.47 0.00 0.00 55.73 54.43 1x3d s ARG 29 Cb -0.07 -2.43 -0.03 0.00 -0.57 0.00 0.00 34.95 31.85 1x3d s ARG 29 CO -0.12 0.13 0.03 0.95 -1.08 0.00 0.00 175.30 175.20 1x3d s THR 30 N 0.50 1.18 -1.38 4.99 -4.23 0.17 -4.27 115.64 112.60 1x3d s THR 30 Ca -0.13 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.66 1x3d s THR 30 Cb -0.17 -2.33 0.31 0.00 1.34 0.00 0.00 72.50 71.65 1x3d s THR 30 CO 0.05 0.00 1.77 0.29 -0.54 0.00 0.00 174.62 176.19 1x3d n LYS 31 N -1.14 0.41 0.00 3.99 5.02 -1.26 -3.75 118.16 121.42 1x3d n LYS 31 Ca -0.14 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 1x3d n LYS 31 Cb 0.67 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1x3d n LYS 31 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x3d n ASN 32 N -1.17 0.40 -3.77 4.39 3.02 -1.26 -2.29 115.26 114.59 1x3d n ASN 32 Ca 0.11 -1.12 -0.06 0.00 -0.03 0.00 0.00 54.58 53.48 1x3d n ASN 32 Cb 0.31 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.46 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x3d s SER 33 N -0.12 -0.26 0.06 6.41 0.01 -1.25 -0.52 113.70 118.04 1x3d s SER 33 Ca 0.00 -0.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.65 1x3d s SER 33 Cb 0.00 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.88 1x3d s SER 33 CO 0.00 -1.13 0.34 -0.76 0.41 0.00 0.00 173.24 172.09 1x3d s LEU 34 N -2.90 0.72 -0.03 2.44 1.43 0.20 0.41 118.68 120.95 1x3d s LEU 34 Ca 0.10 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1x3d s LEU 34 Cb -0.04 1.51 0.00 0.00 0.03 0.00 0.00 46.19 47.70 1x3d s LEU 34 CO 0.03 -0.68 -0.11 -0.89 0.23 0.00 0.00 176.35 174.92 1x3d s THR 35 N -2.89 0.98 -0.04 5.49 2.01 0.31 -0.65 115.64 120.85 1x3d s THR 35 Ca -0.03 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1x3d s THR 35 Cb 0.00 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.67 1x3d s THR 35 CO -0.05 0.30 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.39 1x3d s LEU 36 N 0.19 1.15 0.14 4.42 1.43 -1.07 -3.01 118.68 121.94 1x3d s LEU 36 Ca -0.04 -0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1x3d s LEU 36 Cb -0.10 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 1x3d s LEU 36 CO 0.01 -0.09 -0.26 -1.10 0.23 0.00 0.00 176.35 175.14 1x3d s GLN 37 N 1.12 1.41 0.32 1.70 -0.21 -0.43 -2.79 119.66 120.77 1x3d s GLN 37 Ca -0.08 -1.38 -0.13 0.00 0.02 0.00 0.00 55.36 53.79 1x3d s GLN 37 Cb -0.14 -1.86 0.02 0.00 1.00 0.00 0.00 33.01 32.03 1x3d s GLN 37 CO -0.01 0.43 0.62 1.67 -2.12 0.00 0.00 175.29 175.88 1x3d s TRP 38 N -1.19 0.33 0.44 0.91 -2.14 -1.09 0.08 118.94 116.28 1x3d s TRP 38 Ca 0.15 -0.78 0.06 0.00 2.66 0.00 0.00 56.10 58.19 1x3d s TRP 38 Cb -0.10 0.43 -0.05 0.00 -3.10 0.00 0.00 33.47 30.65 1x3d s TRP 38 CO 0.07 -1.25 0.09 -1.59 -2.66 0.00 0.00 176.95 171.61 1x3d s LYS 39 N -3.28 2.11 -0.06 3.25 0.00 -1.26 -4.84 119.74 115.66 1x3d s LYS 39 Ca 0.20 -2.08 -0.19 0.00 0.00 0.00 0.00 55.97 53.90 1x3d s LYS 39 Cb -0.03 -1.76 -0.05 0.00 0.00 0.00 0.00 37.83 35.99 1x3d s LYS 39 CO 0.12 -0.17 0.52 0.00 0.00 0.00 0.00 175.35 175.82 1x3d s ALA 40 N -2.71 3.50 1.00 0.59 0.00 -1.26 -4.82 121.76 118.06 1x3d s ALA 40 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1x3d s ALA 40 Cb 0.06 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1x3d s ALA 40 CO 0.17 0.13 0.00 -0.35 0.00 0.00 0.00 175.76 175.70 1x3d n PRO 41 N 3.06 -0.99 -2.89 0.00 -0.04 -1.26 -4.98 135.00 127.91 1x3d n PRO 41 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 1x3d n PRO 41 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 1x3d n PRO 41 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x3d s SER 42 N -1.51 7.01 -0.82 3.54 1.04 -1.26 -5.01 113.70 116.69 1x3d s SER 42 Ca 0.00 1.24 -0.15 0.00 0.48 0.00 0.00 55.95 57.51 1x3d s SER 42 Cb 0.00 -2.46 0.19 0.00 0.10 0.00 0.00 66.02 63.84 1x3d s SER 42 CO 0.00 -0.35 0.83 1.51 0.98 0.00 0.00 173.24 176.21 1x3d s ASP 43 N 1.09 6.67 -0.08 7.02 -4.77 -1.26 -4.09 116.67 121.24 1x3d s ASP 43 Ca 0.40 -2.43 -0.03 0.00 -3.30 0.00 0.00 52.55 47.20 1x3d s ASP 43 Cb -0.17 -2.26 -0.01 0.00 -1.09 0.00 0.00 42.92 39.39 1x3d s ASP 43 CO 0.15 -0.73 -0.05 -0.55 0.70 0.00 0.00 175.17 174.69 1x3d h ASN 44 N 8.16 0.00 0.00 2.11 7.08 -1.94 -3.46 115.58 127.52 1x3d h ASN 44 Ca 0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 1x3d h ASN 44 Cb 1.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.28 1x3d h ASN 44 CO 0.87 0.44 0.00 0.61 -2.08 0.00 0.00 177.43 177.27 1x3d n GLY 45 N 1.77 -1.47 3.80 9.14 0.00 -1.26 -4.94 105.19 112.22 1x3d n GLY 45 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1x3d n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3d s SER 46 N -1.81 5.68 -0.17 1.61 0.15 -1.26 -5.04 113.70 112.87 1x3d s SER 46 Ca 0.00 0.08 -0.39 0.00 0.70 0.00 0.00 55.95 56.34 1x3d s SER 46 Cb 0.00 -1.59 -0.16 0.00 -1.71 0.00 0.00 66.02 62.56 1x3d s SER 46 CO 0.00 0.20 1.66 2.29 1.20 0.00 0.00 173.24 178.59 1x3d n LYS 47 N 0.67 1.23 -1.56 5.44 2.85 -1.26 -4.56 118.16 120.96 1x3d n LYS 47 Ca -0.10 0.45 -0.43 0.00 -1.05 0.00 0.00 58.31 57.18 1x3d n LYS 47 Cb 0.52 -2.14 -0.00 0.00 -0.65 0.00 0.00 35.03 32.76 1x3d n LYS 47 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1x3d n ILE 48 N 4.12 2.09 -0.01 0.58 5.41 -1.26 -4.38 119.36 125.90 1x3d n ILE 48 Ca 0.24 -0.50 -0.01 0.00 1.00 0.00 0.00 62.75 63.48 1x3d n ILE 48 Cb 0.16 -0.92 -0.01 0.00 -0.71 0.00 0.00 39.64 38.16 1x3d n ILE 48 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1x3d h GLN 49 N 1.58 -0.07 -3.41 0.38 4.20 -1.36 -3.48 115.11 112.95 1x3d h GLN 49 Ca -0.41 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.26 1x3d h GLN 49 Cb 1.35 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.09 1x3d h GLN 49 CO 0.58 -0.05 0.05 0.54 -0.67 0.00 0.00 178.83 179.28 1x3d s ASN 50 N -5.15 0.04 -0.19 1.46 2.20 -1.23 -4.74 114.94 107.33 1x3d s ASN 50 Ca -0.01 -0.98 -0.08 0.00 -0.94 0.00 0.00 52.86 50.85 1x3d s ASN 50 Cb 0.00 0.70 -0.04 0.00 -2.00 0.00 0.00 41.25 39.90 1x3d s ASN 50 CO 0.03 -1.34 0.08 -0.36 -2.94 0.00 0.00 177.10 172.57 1x3d s PHE 51 N -3.46 3.27 -0.25 1.54 0.08 -0.30 -3.37 117.98 115.49 1x3d s PHE 51 Ca 0.19 0.10 -0.05 0.00 0.12 0.00 0.00 56.93 57.29 1x3d s PHE 51 Cb -0.03 -2.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1x3d s PHE 51 CO 0.11 0.15 0.01 0.08 -0.10 0.00 0.00 175.22 175.46 1x3d s VAL 52 N 0.47 3.65 0.02 -0.44 1.01 -0.89 -2.24 120.40 121.99 1x3d s VAL 52 Ca 0.04 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1x3d s VAL 52 Cb -0.12 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1x3d s VAL 52 CO 0.00 0.30 -0.06 -0.22 0.00 0.00 0.00 175.10 175.12 1x3d s LEU 53 N 1.50 3.19 0.07 3.92 2.96 0.15 -2.47 118.68 128.00 1x3d s LEU 53 Ca 0.05 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1x3d s LEU 53 Cb -0.15 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1x3d s LEU 53 CO -0.01 0.27 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.58 1x3d s GLU 54 N -1.55 0.74 0.01 1.98 2.02 -0.88 -0.34 118.70 120.68 1x3d s GLU 54 Ca 0.18 -1.01 -0.20 0.00 0.02 0.00 0.00 54.97 53.96 1x3d s GLU 54 Cb -0.11 -0.47 0.04 0.00 0.10 0.00 0.00 34.13 33.69 1x3d s GLU 54 CO 0.09 0.08 0.45 1.67 0.02 0.00 0.00 175.26 177.57 1x3d s TRP 55 N -2.03 -0.34 -0.11 1.61 1.48 -1.17 -1.44 118.94 116.94 1x3d s TRP 55 Ca -0.00 0.44 0.00 0.00 -1.06 0.00 0.00 56.10 55.49 1x3d s TRP 55 Cb -0.05 0.24 0.13 0.00 -1.16 0.00 0.00 33.47 32.62 1x3d s TRP 55 CO -0.00 -0.54 1.45 -3.47 -4.06 0.00 0.00 176.95 170.33 1x3d n ASP 56 N 0.77 4.00 -3.54 -2.66 -0.08 -1.12 -3.11 116.55 110.81 1x3d n ASP 56 Ca -0.19 -2.46 -0.27 0.00 -1.51 0.00 0.00 54.79 50.36 1x3d n ASP 56 Cb 0.58 -0.74 -0.05 0.00 2.34 0.00 0.00 41.12 43.26 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x3d n GLU 57 N 0.40 -1.22 -4.19 -0.67 1.02 -1.26 -0.08 120.64 114.65 1x3d n GLU 57 Ca 0.13 0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 57.04 1x3d n GLU 57 Cb 0.69 -3.80 -0.09 0.00 -0.02 0.00 0.00 31.44 28.22 1x3d n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3d n GLY 58 N -0.82 -0.18 0.13 0.62 0.00 -1.26 -4.82 105.19 98.85 1x3d n GLY 58 Ca 0.07 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1x3d n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3d n LYS 59 N -4.13 0.58 -0.03 1.61 5.02 0.89 -4.76 118.16 117.34 1x3d n LYS 59 Ca -0.19 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1x3d n LYS 59 Cb 0.58 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1x3d n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x3d n GLY 60 N 1.30 0.60 0.09 0.72 0.00 -1.26 -5.04 105.19 101.60 1x3d n GLY 60 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1x3d n GLY 60 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x3d n ASN 61 N -0.01 2.65 0.00 1.61 0.23 -1.26 -5.06 115.26 113.42 1x3d n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1x3d n ASN 61 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x3d n GLY 62 N 2.90 1.47 2.97 4.83 0.00 -1.26 -5.12 105.19 110.98 1x3d n GLY 62 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x3d n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x3d s GLU 63 N -0.12 1.63 -0.14 1.61 8.01 -1.26 -5.11 118.70 123.32 1x3d s GLU 63 Ca 0.00 -1.28 -0.17 0.00 0.01 0.00 0.00 54.97 53.53 1x3d s GLU 63 Cb 0.00 -2.74 -0.04 0.00 -4.31 0.00 0.00 34.13 27.04 1x3d s GLU 63 CO 0.00 -0.71 0.43 -0.06 0.01 0.00 0.00 175.26 174.93 1x3d s PHE 64 N 1.24 3.48 0.05 1.61 0.40 -1.26 -4.30 117.98 119.19 1x3d s PHE 64 Ca -0.01 0.79 0.04 0.00 -0.60 0.00 0.00 56.93 57.15 1x3d s PHE 64 Cb -0.19 -2.50 -0.02 0.00 0.51 0.00 0.00 43.02 40.81 1x3d s PHE 64 CO -0.08 0.16 -0.11 0.00 0.70 0.00 0.00 175.22 175.88 1x3d n GLN 66 N 1.54 0.94 -0.06 0.00 7.27 -1.26 -3.05 117.38 122.75 1x3d n GLN 66 Ca -0.21 0.34 -0.12 0.00 0.07 0.00 0.00 57.00 57.08 1x3d n GLN 66 Cb 0.55 -1.98 -0.05 0.00 2.41 0.00 0.00 30.24 31.17 1x3d n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x3d s TYR 68 N -2.24 -0.06 -0.06 0.00 5.04 -1.16 -5.01 117.35 113.87 1x3d s TYR 68 Ca -0.18 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.73 1x3d s TYR 68 Cb 0.06 -0.16 0.03 0.00 0.35 0.00 0.00 41.96 42.24 1x3d s TYR 68 CO 0.25 -0.12 0.01 1.41 -1.34 0.00 0.00 175.55 175.75 1x3d s MET 69 N 1.07 0.45 0.00 4.97 -2.45 -1.26 -0.67 119.30 121.40 1x3d s MET 69 Ca -0.09 0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.49 1x3d s MET 69 Cb -0.12 -0.79 0.00 0.00 1.25 0.00 0.00 34.83 35.18 1x3d s MET 69 CO -0.04 -0.26 0.00 0.41 1.05 0.00 0.00 175.02 176.18 1x3d n GLY 70 N 4.89 -0.14 0.10 2.11 0.00 -0.95 -4.96 105.19 106.23 1x3d n GLY 70 Ca -0.11 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1x3d n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x3d h SER 71 N 0.00 -0.12 -1.85 1.61 0.87 -1.88 -0.79 113.55 111.40 1x3d h SER 71 Ca 0.00 -0.14 -0.52 0.00 -1.23 0.00 0.00 61.79 59.90 1x3d h SER 71 Cb 0.00 0.03 0.21 0.00 -0.44 0.00 0.00 62.40 62.20 1x3d h SER 71 CO 0.00 0.07 -1.53 0.00 -0.53 0.00 0.00 176.83 174.84 1x3d n GLN 72 N -5.07 0.00 -0.03 2.24 6.02 -1.26 -4.63 117.38 114.65 1x3d n GLN 72 Ca -0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1x3d n GLN 72 Cb 0.15 -0.92 0.06 0.00 1.02 0.00 0.00 30.24 30.54 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x3d n LYS 73 N 2.04 2.28 -4.00 -1.09 5.02 -1.26 -4.72 118.16 116.43 1x3d n LYS 73 Ca 0.01 -1.92 -0.18 0.00 -2.02 0.00 0.00 58.31 54.20 1x3d n LYS 73 Cb 0.49 -1.19 -0.16 0.00 -0.02 0.00 0.00 35.03 34.15 1x3d n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x3d s GLN 74 N -1.73 0.48 -0.02 1.97 0.74 -1.26 -2.66 119.66 117.18 1x3d s GLN 74 Ca 0.13 0.02 -0.00 0.00 0.05 0.00 0.00 55.36 55.55 1x3d s GLN 74 Cb 0.11 -0.61 0.02 0.00 1.10 0.00 0.00 33.01 33.63 1x3d s GLN 74 CO 0.01 -0.12 0.04 0.12 -0.55 0.00 0.00 175.29 174.79 1x3d s PHE 75 N 1.02 -0.00 -0.28 1.67 5.36 -1.12 -5.04 117.98 119.59 1x3d s PHE 75 Ca -0.10 0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1x3d s PHE 75 Cb -0.14 -0.16 0.02 0.00 -0.34 0.00 0.00 43.02 42.40 1x3d s PHE 75 CO -0.01 -0.08 0.02 0.21 -1.46 0.00 0.00 175.22 173.90 1x3d s LYS 76 N 0.82 2.88 -0.00 10.12 2.20 -1.26 -2.59 119.74 131.92 1x3d s LYS 76 Ca -0.07 -0.97 -0.28 0.00 -0.36 0.00 0.00 55.97 54.29 1x3d s LYS 76 Cb -0.10 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1x3d s LYS 76 CO -0.03 -0.46 0.89 0.42 -0.36 0.00 0.00 175.35 175.81 1x3d s ILE 77 N 1.40 4.86 0.53 5.43 1.01 0.18 -4.85 121.20 129.76 1x3d s ILE 77 Ca 0.00 1.87 0.04 0.00 0.00 0.00 0.00 60.65 62.56 1x3d s ILE 77 Cb -0.17 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.09 1x3d s ILE 77 CO -0.01 0.22 0.30 0.42 0.00 0.00 0.00 174.94 175.88 1x3d s THR 78 N 0.75 1.54 -1.23 2.92 -4.23 -1.26 0.63 115.64 114.76 1x3d s THR 78 Ca 0.47 -1.62 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1x3d s THR 78 Cb -0.20 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1x3d s THR 78 CO 0.25 0.00 1.04 0.29 -0.54 0.00 0.00 174.62 175.66 1x3d n LYS 79 N -1.64 -6.89 -2.69 3.99 4.76 0.32 -4.86 118.16 111.16 1x3d n LYS 79 Ca -0.06 0.84 -0.13 0.00 -2.87 0.00 0.00 58.31 56.09 1x3d n LYS 79 Cb 0.65 -5.86 -0.00 0.00 -1.84 0.00 0.00 35.03 27.98 1x3d n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x3d n LEU 80 N -4.30 0.00 -4.03 -0.35 4.77 -0.27 -4.97 117.00 107.86 1x3d n LEU 80 Ca -0.23 -1.46 -0.10 0.00 -0.03 0.00 0.00 56.01 54.20 1x3d n LEU 80 Cb 0.65 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.61 1x3d n LEU 80 CO 0.62 -0.42 -0.37 -0.94 -1.33 0.00 0.00 177.39 174.95 1x3d s SER 81 N -2.63 0.46 0.58 -1.43 1.04 -1.07 -3.99 113.70 106.66 1x3d s SER 81 Ca 0.15 -0.62 -0.18 0.00 0.48 0.00 0.00 55.95 55.78 1x3d s SER 81 Cb -0.01 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1x3d s SER 81 CO 0.10 -0.34 1.12 -2.16 0.98 0.00 0.00 173.24 172.94 1x3d s PRO 82 N -2.03 3.18 -1.42 4.02 0.04 -0.97 -3.55 135.00 134.27 1x3d s PRO 82 Ca -0.09 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1x3d s PRO 82 Cb -0.06 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1x3d s PRO 82 CO -0.02 -0.98 1.03 0.00 0.04 0.00 0.00 177.00 177.07 1x3d n ALA 83 N -1.66 -1.22 -4.00 8.56 0.00 -1.26 -4.84 120.51 116.09 1x3d n ALA 83 Ca 0.11 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.62 1x3d n ALA 83 Cb 0.51 -5.08 -0.15 0.00 0.00 0.00 0.00 19.45 14.74 1x3d n ALA 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x3d s MET 84 N -6.17 1.64 -0.12 0.00 0.00 -1.23 -5.00 119.30 108.42 1x3d s MET 84 Ca 0.52 -2.11 -0.29 0.00 0.00 0.00 0.00 55.69 53.80 1x3d s MET 84 Cb -0.23 -3.24 -0.05 0.00 0.00 0.00 0.00 34.83 31.30 1x3d s MET 84 CO 0.64 -0.99 1.84 0.20 0.00 0.00 0.00 175.02 176.70 1x3d s GLY 85 N 0.52 1.20 -0.06 2.11 0.00 -1.26 -4.19 107.32 105.64 1x3d s GLY 85 Ca 0.13 0.85 0.04 0.00 0.00 0.00 0.00 44.72 45.74 1x3d s GLY 85 CO -0.06 3.30 -0.19 0.00 0.00 0.00 0.00 173.10 176.15 1x3d s LYS 87 N 0.19 3.55 0.06 0.00 1.02 -1.26 -1.73 119.74 121.57 1x3d s LYS 87 Ca -0.09 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 55.61 1x3d s LYS 87 Cb -0.14 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1x3d s LYS 87 CO 0.04 0.42 0.03 -0.06 -0.92 0.00 0.00 175.35 174.86 1x3d s PHE 88 N -1.80 0.40 -0.16 3.18 0.40 -0.77 -2.80 117.98 116.43 1x3d s PHE 88 Ca 0.39 -0.88 -0.16 0.00 -0.60 0.00 0.00 56.93 55.68 1x3d s PHE 88 Cb -0.11 -0.28 0.04 0.00 0.51 0.00 0.00 43.02 43.17 1x3d s PHE 88 CO 0.28 -0.41 0.44 -0.98 0.70 0.00 0.00 175.22 175.25 1x3d s ARG 89 N -3.67 0.53 0.01 0.44 1.70 -0.52 -2.50 118.95 114.94 1x3d s ARG 89 Ca 0.04 0.57 0.05 0.00 -0.47 0.00 0.00 55.73 55.92 1x3d s ARG 89 Cb 0.06 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1x3d s ARG 89 CO -0.09 -0.07 -0.14 -1.17 -1.08 0.00 0.00 175.30 172.75 1x3d s LEU 90 N 0.13 2.80 -0.15 -1.89 2.96 -1.26 -2.07 118.68 119.21 1x3d s LEU 90 Ca -0.01 -0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 53.49 1x3d s LEU 90 Cb -0.03 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 45.08 1x3d s LEU 90 CO 0.01 0.29 0.38 -0.94 -1.32 0.00 0.00 176.35 174.77 1x3d s SER 91 N -1.24 -0.41 -0.19 3.68 1.04 -1.03 -0.40 113.70 115.15 1x3d s SER 91 Ca 0.14 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.27 1x3d s SER 91 Cb -0.11 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1x3d s SER 91 CO 0.05 -0.14 0.07 0.00 0.98 0.00 0.00 173.24 174.20 1x3d s ALA 92 N 0.36 3.43 -0.13 5.32 0.00 -1.26 -2.09 121.76 127.38 1x3d s ALA 92 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1x3d s ALA 92 Cb -0.03 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1x3d s ALA 92 CO -0.01 0.11 -0.22 0.50 0.00 0.00 0.00 175.76 176.14 1x3d s ARG 93 N 0.49 2.95 0.34 0.00 3.52 -1.22 -0.34 118.95 124.69 1x3d s ARG 93 Ca 0.04 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 1x3d s ARG 93 Cb -0.12 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 1x3d s ARG 93 CO 0.01 0.04 0.10 0.27 -0.81 0.00 0.00 175.30 174.91 1x3d n ASN 94 N 3.92 2.59 -0.43 -2.12 6.94 -0.89 -0.96 115.26 124.31 1x3d n ASN 94 Ca -0.20 -2.34 0.40 0.00 -0.02 0.00 0.00 54.58 52.43 1x3d n ASN 94 Cb 0.52 0.13 0.70 0.00 -2.36 0.00 0.00 39.78 38.77 1x3d n ASN 94 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x3d h ASP 95 N 0.64 0.00 0.07 0.53 5.19 -1.80 -1.01 116.42 120.03 1x3d h ASP 95 Ca -0.25 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1x3d h ASP 95 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1x3d h ASP 95 CO 0.41 0.00 -0.03 1.88 -3.12 0.00 0.00 179.24 178.38 1x3d h TYR 96 N 0.00 -0.08 0.00 4.55 -1.99 -1.93 -3.51 116.97 114.01 1x3d h TYR 96 Ca 0.68 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.41 1x3d h TYR 96 Cb 3.01 0.03 0.00 0.00 2.00 0.00 0.00 36.73 41.77 1x3d h TYR 96 CO 0.00 -0.05 0.00 0.41 -0.00 0.00 0.00 178.16 178.52 1x3d n GLY 97 N 1.47 -1.43 3.64 3.88 0.00 -0.39 -4.99 105.19 107.38 1x3d n GLY 97 Ca -0.01 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1x3d n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x3d s THR 98 N -2.14 4.40 0.63 2.61 2.01 -1.26 -2.09 115.64 119.80 1x3d s THR 98 Ca 0.00 1.64 -0.14 0.00 0.31 0.00 0.00 61.69 63.49 1x3d s THR 98 Cb 0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1x3d s THR 98 CO 0.00 -0.36 1.07 -0.94 -0.69 0.00 0.00 174.62 173.70 1x3d s SER 99 N 1.92 5.56 0.29 3.53 1.04 0.54 -4.93 113.70 121.65 1x3d s SER 99 Ca 0.50 1.81 -0.17 0.00 0.48 0.00 0.00 55.95 58.57 1x3d s SER 99 Cb -0.16 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.32 1x3d s SER 99 CO 0.15 -1.32 0.10 0.61 0.98 0.00 0.00 173.24 173.76 1x3d n GLY 100 N -1.10 -1.99 3.79 7.32 0.00 -1.26 -4.35 105.19 107.59 1x3d n GLY 100 Ca 0.09 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1x3d n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x3d s PHE 101 N -1.22 3.84 1.19 1.61 0.40 -1.26 -4.48 117.98 118.06 1x3d s PHE 101 Ca 0.45 1.57 -0.18 0.00 -0.60 0.00 0.00 56.93 58.18 1x3d s PHE 101 Cb -0.51 -2.73 0.24 0.00 0.51 0.00 0.00 43.02 40.53 1x3d s PHE 101 CO 0.47 0.47 0.51 -1.13 0.70 0.00 0.00 175.22 176.24 1x3d n SER 102 N 1.38 -3.17 -4.69 1.36 3.41 0.46 -4.87 113.62 107.50 1x3d n SER 102 Ca -0.05 -0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 1x3d n SER 102 Cb 0.49 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 1x3d n SER 102 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x3d s GLU 103 N -4.04 4.32 0.01 4.33 0.41 -1.26 -4.74 118.70 117.73 1x3d s GLU 103 Ca 0.52 1.86 -0.36 0.00 -0.41 0.00 0.00 54.97 56.58 1x3d s GLU 103 Cb -0.11 -3.54 -0.14 0.00 -1.78 0.00 0.00 34.13 28.56 1x3d s GLU 103 CO 0.48 -0.50 1.62 0.39 -0.49 0.00 0.00 175.26 176.76 1x3d n GLU 104 N 5.15 1.75 -4.90 1.61 1.02 -1.26 -4.83 120.64 119.18 1x3d n GLU 104 Ca 0.12 0.64 -0.33 0.00 -0.02 0.00 0.00 57.16 57.57 1x3d n GLU 104 Cb 0.45 -2.38 -0.15 0.00 -0.02 0.00 0.00 31.44 29.34 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1x3d s VAL 105 N 1.97 2.76 -0.29 2.62 -7.23 -1.04 -4.97 120.40 114.20 1x3d s VAL 105 Ca 0.87 -0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 60.16 1x3d s VAL 105 Cb -0.81 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 1x3d s VAL 105 CO 0.48 0.53 0.19 -0.22 -0.31 0.00 0.00 175.10 175.77 1x3d s LEU 106 N 0.36 4.06 0.43 1.32 2.96 -1.26 -1.84 118.68 124.71 1x3d s LEU 106 Ca -0.13 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1x3d s LEU 106 Cb -0.17 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1x3d s LEU 106 CO 0.06 -0.09 0.18 -0.31 -1.32 0.00 0.00 176.35 174.88 1x3d s TYR 107 N 1.73 2.51 -0.17 5.38 2.02 -0.70 -4.97 117.35 123.15 1x3d s TYR 107 Ca 0.07 -0.62 -0.05 0.00 -0.37 0.00 0.00 57.07 56.09 1x3d s TYR 107 Cb -0.16 -1.94 0.08 0.00 -0.40 0.00 0.00 41.96 39.54 1x3d s TYR 107 CO 0.10 0.15 0.32 0.71 -1.57 0.00 0.00 175.55 175.26 1x3d s TYR 108 N -2.62 -0.58 1.06 2.71 1.51 -1.26 -1.81 117.35 116.35 1x3d s TYR 108 Ca 0.39 1.08 -0.20 0.00 -1.01 0.00 0.00 57.07 57.34 1x3d s TYR 108 Cb 0.03 0.06 0.01 0.00 -0.11 0.00 0.00 41.96 41.95 1x3d s TYR 108 CO 0.22 -0.45 -0.33 0.25 -1.11 0.00 0.00 175.55 174.12 1x3d n THR 109 N 5.36 0.00 -0.26 -0.71 -2.24 -1.26 -4.71 114.28 110.47 1x3d n THR 109 Ca -0.07 -0.23 0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1x3d n THR 109 Cb 0.50 -0.43 0.28 0.00 -2.10 0.00 0.00 70.33 68.58 1x3d n THR 109 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x3d n SER 110 N -0.09 0.01 -1.42 3.42 7.64 -1.25 -4.32 113.62 117.61 1x3d n SER 110 Ca 0.01 1.27 0.18 0.00 1.01 0.00 0.00 58.87 61.34 1x3d n SER 110 Cb 0.63 -0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1x3d n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3d n GLY 111 N -1.33 -2.43 3.56 0.23 0.00 -1.26 -4.34 105.19 99.62 1x3d n GLY 111 Ca 0.21 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 1x3d n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s SER 113 N 5.19 6.77 0.00 0.00 0.15 -1.26 -5.00 113.70 119.55 1x3d s SER 113 Ca 0.50 0.85 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1x3d s SER 113 Cb -0.00 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1x3d s SER 113 CO -0.06 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1x3d n GLY 114 N 4.00 4.90 3.77 9.45 0.00 -1.26 -5.16 105.19 120.89 1x3d n GLY 114 Ca 0.06 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 1x3d n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3d s PRO 115 N 0.69 2.44 -0.20 1.61 0.04 -1.26 -5.07 135.00 133.26 1x3d s PRO 115 Ca 0.00 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.24 1x3d s PRO 115 Cb 0.00 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.72 1x3d s PRO 115 CO 0.00 -1.51 0.30 0.45 0.04 0.00 0.00 177.00 176.28 1x3d s SER 116 N -3.13 0.60 -0.06 6.66 0.15 -1.26 -5.15 113.70 111.51 1x3d s SER 116 Ca 0.63 0.24 -0.11 0.00 0.70 0.00 0.00 55.95 57.41 1x3d s SER 116 Cb -0.18 0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1x3d s SER 116 CO 0.51 -0.29 0.28 -0.44 1.20 0.00 0.00 173.24 174.50 1x3d s SER 117 N 2.45 6.60 0.00 5.45 0.01 -1.26 -5.36 113.70 121.58 1x3d s SER 117 Ca 0.07 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1x3d s SER 117 Cb -0.14 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1x3d s SER 117 CO -0.12 0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.48