#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wse n ILE 2 N 0.00 0.00 -0.21 0.53 5.41 -1.26 -4.85 119.36 118.98 2wse n ILE 2 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 2wse n ILE 2 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 2wse n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wse h ALA 3 N -2.00 0.76 -3.00 -1.39 0.00 -1.99 -3.41 119.26 108.23 2wse h ALA 3 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wse h ALA 3 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2wse h ALA 3 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2wse n GLY 4 N -0.80 -0.45 0.00 0.00 0.00 -1.26 -5.07 105.19 97.60 2wse n GLY 4 Ca 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2wse n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wse n LEU 5 N 0.00 0.00 -4.94 0.99 7.94 0.11 -4.72 117.00 116.37 2wse n LEU 5 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 2wse n LEU 5 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wse n LEU 5 CO 0.00 0.00 0.25 0.42 -1.11 0.00 0.00 177.39 176.95 2wse s THR 6 N 2.31 4.58 0.00 1.96 -4.23 -1.19 -0.54 115.64 118.52 2wse s THR 6 Ca 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2wse s THR 6 Cb 0.00 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.15 2wse s THR 6 CO 0.00 -0.48 0.00 -2.65 -0.54 0.00 0.00 174.62 170.95 2wse n PRO 7 N -1.97 0.00 -0.06 3.99 -0.02 -1.22 -4.53 135.00 131.20 2wse n PRO 7 Ca -0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.41 2wse n PRO 7 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.96 2wse n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wse h LYS 9 N 0.00 0.00 -1.79 0.00 5.09 -1.89 -3.38 116.57 114.60 2wse h LYS 9 Ca -0.30 -0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.45 2wse h LYS 9 Cb 1.67 -0.00 -0.23 0.00 0.10 0.00 0.00 32.23 33.76 2wse h LYS 9 CO 0.01 0.00 0.30 -2.00 -2.09 0.00 0.00 179.45 175.68 2wse s GLU 10 N -4.95 0.68 -0.18 0.07 -6.30 -1.26 -5.10 118.70 101.65 2wse s GLU 10 Ca -0.05 0.75 0.05 0.00 -2.50 0.00 0.00 54.97 53.22 2wse s GLU 10 Cb 0.23 0.33 0.17 0.00 0.00 0.00 0.00 34.13 34.86 2wse s GLU 10 CO 0.80 -0.09 0.99 -1.13 0.02 0.00 0.00 175.26 175.85 2wse n SER 11 N 2.32 -0.77 0.00 -1.70 3.41 -1.26 -4.38 113.62 111.25 2wse n SER 11 Ca -0.13 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 2wse n SER 11 Cb 0.56 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 2wse n SER 11 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2wse n LYS 12 N -0.64 0.00 -0.08 4.33 2.85 -1.26 0.37 118.16 123.72 2wse n LYS 12 Ca -0.10 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.09 2wse n LYS 12 Cb 0.67 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 35.05 2wse n LYS 12 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 2wse h GLN 13 N 0.00 -0.17 -0.81 -1.58 -0.00 -1.93 0.53 115.11 111.15 2wse h GLN 13 Ca 0.00 0.01 0.20 0.00 -0.00 0.00 0.00 58.65 58.86 2wse h GLN 13 Cb 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 27.48 27.39 2wse h GLN 13 CO 0.00 -0.11 0.15 0.35 0.00 0.00 0.00 178.83 179.22 2wse h PHE 14 N -0.17 0.22 0.56 3.99 3.04 -0.27 -2.80 116.94 121.51 2wse h PHE 14 Ca 0.16 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 2wse h PHE 14 Cb 0.42 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 2wse h PHE 14 CO -0.40 -0.18 -0.41 0.00 -2.02 0.00 0.00 178.31 175.29 2wse h ALA 15 N 1.71 -0.99 -1.40 2.41 0.00 0.29 -1.52 119.26 119.77 2wse h ALA 15 Ca 0.47 -0.18 0.41 0.00 0.00 0.00 0.00 54.91 55.61 2wse h ALA 15 Cb 0.89 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 2wse h ALA 15 CO -0.62 -1.08 0.97 0.87 0.00 0.00 0.00 179.25 179.40 2wse h LYS 16 N -0.94 0.07 -0.09 0.00 1.57 -1.28 0.16 116.57 116.06 2wse h LYS 16 Ca -0.06 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2wse h LYS 16 Cb 0.79 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 2wse h LYS 16 CO 0.02 0.05 -0.07 0.00 -0.57 0.00 0.00 179.45 178.87 2wse h ARG 17 N 0.07 0.21 -1.29 3.15 -0.00 -1.03 -1.79 114.38 113.70 2wse h ARG 17 Ca 0.72 -0.11 0.45 0.00 -0.50 0.00 0.00 59.98 60.54 2wse h ARG 17 Cb 2.61 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 32.44 2wse h ARG 17 CO -0.13 0.62 0.81 0.93 0.00 0.00 0.00 179.97 182.20 2wse h GLU 18 N -0.19 0.05 0.00 0.04 4.39 -0.21 -3.31 114.58 115.35 2wse h GLU 18 Ca 0.02 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2wse h GLU 18 Cb 0.57 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2wse h GLU 18 CO 0.02 0.03 -0.68 1.63 -1.16 0.00 0.00 179.01 178.85 2wse n LYS 19 N -4.81 0.20 -4.67 2.33 5.02 -1.11 -3.96 118.16 111.15 2wse n LYS 19 Ca 0.39 0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 56.42 2wse n LYS 19 Cb 1.46 -0.84 -0.12 0.00 -0.02 0.00 0.00 35.03 35.50 2wse n LYS 19 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2wse s GLN 20 N -2.29 2.83 1.24 1.97 -0.44 -0.69 -1.97 119.66 120.32 2wse s GLN 20 Ca -0.12 -0.59 0.00 0.00 -2.50 0.00 0.00 55.36 52.16 2wse s GLN 20 Cb 0.03 -2.58 0.00 0.00 -1.64 0.00 0.00 33.01 28.82 2wse s GLN 20 CO 0.16 0.58 0.00 0.00 0.50 0.00 0.00 175.29 176.53 2wse n ALA 21 N 2.47 0.00 -0.13 1.58 0.00 -1.26 -4.43 120.51 118.74 2wse n ALA 21 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 2wse n ALA 21 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 2wse n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wse n LEU 22 N 0.00 -0.27 -0.35 0.00 4.32 -1.25 -1.77 117.00 117.67 2wse n LEU 22 Ca 0.00 0.58 0.01 0.00 -0.02 0.00 0.00 56.01 56.58 2wse n LEU 22 Cb 0.00 -0.11 0.02 0.00 -1.62 0.00 0.00 43.42 41.72 2wse n LEU 22 CO 0.00 -0.50 0.40 0.29 -1.22 0.00 0.00 177.39 176.36 2wse n LYS 23 N -4.45 1.19 0.00 3.23 4.76 -0.83 0.41 118.16 122.46 2wse n LYS 23 Ca 0.02 -0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2wse n LYS 23 Cb 0.11 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2wse n LYS 23 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wse n LYS 24 N -0.15 5.26 0.00 1.97 4.01 -0.73 0.30 118.16 128.82 2wse n LYS 24 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 2wse n LYS 24 Cb 0.18 -0.46 0.00 0.00 -0.51 0.00 0.00 35.03 34.24 2wse n LYS 24 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wse n LEU 25 N -0.86 0.00 0.00 -0.35 4.32 1.37 -3.54 117.00 117.94 2wse n LEU 25 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wse n LEU 25 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2wse n LEU 25 CO 0.00 0.00 0.00 1.67 -1.22 0.00 0.00 177.39 177.84 2wse n GLN 26 N -0.81 0.00 -0.19 3.23 0.00 0.15 -4.52 117.38 115.24 2wse n GLN 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2wse n GLN 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2wse n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wse n ALA 27 N -3.00 0.00 -3.30 1.69 0.00 -1.23 -4.73 120.51 109.94 2wse n ALA 27 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2wse n ALA 27 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2wse n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wse n SER 28 N 0.00 -0.24 -0.00 0.00 7.64 -1.26 -5.00 113.62 114.76 2wse n SER 28 Ca 0.00 -2.51 -0.00 0.00 1.01 0.00 0.00 58.87 57.37 2wse n SER 28 Cb 0.00 -0.57 -0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2wse n SER 28 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2wse n LEU 29 N 2.23 -0.00 0.00 -3.43 7.94 -1.26 -3.89 117.00 118.59 2wse n LEU 29 Ca 0.26 0.92 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 2wse n LEU 29 Cb 0.50 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2wse n LEU 29 CO 0.12 -0.46 0.00 2.29 -1.11 0.00 0.00 177.39 178.23 2wse n LYS 30 N -2.92 3.56 0.00 1.96 2.85 -1.26 -5.12 118.16 117.23 2wse n LYS 30 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wse n LYS 30 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2wse n LYS 30 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wse n LEU 31 N 0.00 0.00 -4.63 -5.58 4.77 -1.25 -5.05 117.00 105.26 2wse n LEU 31 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2wse n LEU 31 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2wse n LEU 31 CO 0.00 0.00 1.38 -0.72 -1.33 0.00 0.00 177.39 176.72 2wse s TYR 32 N 0.00 2.07 -0.30 -1.77 -0.85 -1.26 -4.98 117.35 110.26 2wse s TYR 32 Ca 0.00 0.51 0.12 0.00 -0.52 0.00 0.00 57.07 57.17 2wse s TYR 32 Cb 0.00 -3.97 0.36 0.00 0.38 0.00 0.00 41.96 38.73 2wse s TYR 32 CO 0.00 -3.06 1.48 0.00 -1.52 0.00 0.00 175.55 172.46 2wse n ALA 33 N 8.37 2.95 0.00 9.51 0.00 -1.26 -4.81 120.51 135.27 2wse n ALA 33 Ca 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2wse n ALA 33 Cb 0.45 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2wse n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wse n ASP 34 N -1.38 0.00 0.00 0.00 4.64 -1.26 -2.64 116.55 115.91 2wse n ASP 34 Ca -0.19 0.16 0.00 0.00 -1.38 0.00 0.00 54.79 53.39 2wse n ASP 34 Cb 0.86 -0.16 0.00 0.00 -1.04 0.00 0.00 41.12 40.77 2wse n ASP 34 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 2wse n ASP 35 N -1.10 0.00 -4.76 1.67 5.68 -1.26 -5.16 116.55 111.62 2wse n ASP 35 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.92 2wse n ASP 35 Cb 0.23 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.22 2wse n ASP 35 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2wse s SER 36 N 0.00 5.77 -0.39 -1.12 0.01 -1.08 -5.00 113.70 111.88 2wse s SER 36 Ca 0.00 2.42 0.06 0.00 1.31 0.00 0.00 55.95 59.73 2wse s SER 36 Cb 0.00 -2.61 0.63 0.00 0.21 0.00 0.00 66.02 64.25 2wse s SER 36 CO 0.00 -1.20 1.78 0.00 0.41 0.00 0.00 173.24 174.23 2wse n ALA 37 N -0.85 5.15 -0.07 1.44 0.00 -1.26 -4.76 120.51 120.15 2wse n ALA 37 Ca 0.09 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.60 2wse n ALA 37 Cb 0.48 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2wse n ALA 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wse n PRO 38 N -1.08 0.00 -1.63 0.00 -0.04 -1.26 -5.08 135.00 125.92 2wse n PRO 38 Ca 0.51 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.79 2wse n PRO 38 Cb 1.47 -0.02 -0.06 0.00 -0.04 0.00 0.00 33.50 34.85 2wse n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wse s ALA 39 N -2.05 0.93 -0.32 0.55 0.00 -1.26 -4.86 121.76 114.76 2wse s ALA 39 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2wse s ALA 39 Cb 0.00 -4.54 0.36 0.00 0.00 0.00 0.00 23.12 18.94 2wse s ALA 39 CO 0.00 -5.59 1.72 -0.11 0.00 0.00 0.00 175.76 171.77 2wse n LEU 40 N 17.75 5.78 0.00 0.00 7.94 -1.26 -4.28 117.00 142.93 2wse n LEU 40 Ca 0.44 -3.03 0.00 0.00 -1.11 0.00 0.00 56.01 52.31 2wse n LEU 40 Cb 0.45 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.58 2wse n LEU 40 CO 0.57 0.99 0.21 0.00 -1.11 0.00 0.00 177.39 178.05 2wse n ALA 41 N -0.31 -0.20 0.00 1.96 0.00 -1.26 -3.59 120.51 117.11 2wse n ALA 41 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2wse n ALA 41 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 2wse n ALA 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2wse n ILE 42 N -1.78 0.00 -3.83 0.00 -5.35 -1.26 -3.55 119.36 103.59 2wse n ILE 42 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 2wse n ILE 42 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2wse n ILE 42 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2wse s LYS 43 N 0.00 3.95 0.85 6.28 -0.14 -1.24 -4.84 119.74 124.60 2wse s LYS 43 Ca 0.00 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2wse s LYS 43 Cb 0.00 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.79 2wse s LYS 43 CO 0.00 0.11 0.00 0.00 -0.76 0.00 0.00 175.35 174.70 2wse n ALA 44 N 4.07 0.00 0.00 5.17 0.00 -1.23 -4.64 120.51 123.88 2wse n ALA 44 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wse n ALA 44 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wse n ALA 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wse n THR 45 N -0.06 0.00 0.00 0.00 -1.04 -1.26 -4.02 114.28 107.90 2wse n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wse n THR 45 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wse n THR 45 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 2wse n MET 46 N 0.00 0.00 -0.04 -2.82 -0.00 -1.25 -3.87 117.12 109.13 2wse n MET 46 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.70 57.75 2wse n MET 46 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 33.22 33.29 2wse n MET 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2wse n GLU 47 N 0.00 0.00 0.01 3.17 2.13 -1.26 0.30 120.64 125.00 2wse n GLU 47 Ca 0.00 0.14 -0.09 0.00 0.66 0.00 0.00 57.16 57.88 2wse n GLU 47 Cb 0.00 -0.35 -0.13 0.00 0.27 0.00 0.00 31.44 31.22 2wse n GLU 47 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2wse h LYS 48 N 0.00 0.02 -0.00 5.31 5.09 -1.82 0.35 116.57 125.52 2wse h LYS 48 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.79 2wse h LYS 48 Cb 0.43 0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.77 2wse h LYS 48 CO -0.00 0.69 -0.52 0.25 -2.09 0.00 0.00 179.45 177.78 2wse n THR 49 N -3.16 0.00 -0.05 0.07 -2.24 0.89 -4.61 114.28 105.18 2wse n THR 49 Ca -0.12 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.57 2wse n THR 49 Cb 1.02 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 2wse n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wse n LYS 50 N -1.47 0.37 0.31 -0.78 5.02 0.21 -4.48 118.16 117.34 2wse n LYS 50 Ca 0.06 0.15 0.16 0.00 -2.02 0.00 0.00 58.31 56.65 2wse n LYS 50 Cb 0.34 -1.14 0.85 0.00 -0.02 0.00 0.00 35.03 35.05 2wse n LYS 50 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wse h LYS 51 N -0.68 0.00 -4.04 1.97 1.63 -0.51 0.13 116.57 115.06 2wse h LYS 51 Ca -0.07 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2wse h LYS 51 Cb 0.79 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2wse h LYS 51 CO -0.04 0.00 0.31 0.54 -3.45 0.00 0.00 179.45 176.81 2wse n ARG 52 N -2.79 0.00 0.00 1.90 3.00 -1.25 -4.78 116.66 112.73 2wse n ARG 52 Ca -0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 2wse n ARG 52 Cb 0.28 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.44 2wse n ARG 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2wse n PHE 53 N 3.30 -0.22 0.00 -1.55 3.72 0.45 -4.68 117.46 118.48 2wse n PHE 53 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2wse n PHE 53 Cb 0.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2wse n PHE 53 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2wse n ASP 54 N 0.00 0.00 -4.11 4.37 5.68 -1.26 -4.24 116.55 116.99 2wse n ASP 54 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.11 2wse n ASP 54 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 2wse n ASP 54 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wse s ASN 55 N -0.74 1.35 0.00 -1.12 2.20 -1.26 -4.95 114.94 110.43 2wse s ASN 55 Ca 0.00 -0.46 0.00 0.00 -0.94 0.00 0.00 52.86 51.46 2wse s ASN 55 Cb 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 41.25 39.19 2wse s ASN 55 CO 0.00 -0.04 0.84 -1.22 -2.94 0.00 0.00 177.10 173.75 2wse n TYR 56 N 1.82 0.00 0.00 1.54 4.02 -1.26 -4.48 117.16 118.80 2wse n TYR 56 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 2wse n TYR 56 Cb 0.55 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2wse n TYR 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wse n GLY 57 N 0.00 0.92 0.00 2.72 0.00 -1.26 -4.89 105.19 102.68 2wse n GLY 57 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2wse n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wse n LYS 58 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.06 118.16 118.47 2wse n LYS 58 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wse n LYS 58 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wse n LYS 58 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wse n TYR 59 N 0.00 0.00 0.00 2.13 0.53 -1.26 -4.43 117.16 114.13 2wse n TYR 59 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2wse n TYR 59 Cb 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 39.34 37.85 2wse n TYR 59 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wse n GLY 60 N 0.38 1.22 1.61 2.72 0.00 -1.26 -4.91 105.19 104.95 2wse n GLY 60 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2wse n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wse n LEU 61 N 0.00 -4.38 -0.04 0.99 4.32 -1.26 -3.74 117.00 112.89 2wse n LEU 61 Ca 0.00 1.57 -0.13 0.00 -0.02 0.00 0.00 56.01 57.43 2wse n LEU 61 Cb 0.00 -2.18 -0.09 0.00 -1.62 0.00 0.00 43.42 39.53 2wse n LEU 61 CO 0.00 -1.39 0.58 -0.07 -1.22 0.00 0.00 177.39 175.30 2wse h LEU 62 N 2.27 0.22 -1.70 2.23 -0.00 -1.83 -3.22 115.31 113.29 2wse h LEU 62 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 2wse h LEU 62 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2wse h LEU 62 CO 0.00 0.71 -0.82 0.00 -0.00 0.00 0.00 178.44 178.32 2wse n GLY 64 N 1.56 1.47 3.86 0.00 0.00 -0.70 0.04 105.19 111.42 2wse n GLY 64 Ca 0.00 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 2wse n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wse s SER 65 N -1.00 6.75 0.00 1.61 1.04 -1.26 -2.45 113.70 118.39 2wse s SER 65 Ca 0.00 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2wse s SER 65 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2wse s SER 65 CO 0.00 0.01 0.00 -0.67 0.98 0.00 0.00 173.24 173.56 2wse n ASP 66 N 0.34 0.00 0.00 7.02 2.03 -1.26 -4.45 116.55 120.22 2wse n ASP 66 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2wse n ASP 66 Cb 0.52 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 2wse n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wse n GLY 67 N -1.83 0.37 3.75 0.27 0.00 -1.03 -4.25 105.19 102.47 2wse n GLY 67 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wse n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wse s LEU 68 N 0.00 4.38 -0.02 0.99 2.01 -1.26 -4.44 118.68 120.33 2wse s LEU 68 Ca 0.00 2.76 -0.24 0.00 0.01 0.00 0.00 54.13 56.66 2wse s LEU 68 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 46.19 42.52 2wse s LEU 68 CO 0.00 -0.73 0.72 -2.16 1.01 0.00 0.00 176.35 175.18 2wse s PRO 69 N -0.75 4.45 0.14 1.29 0.05 -1.26 -1.72 135.00 137.20 2wse s PRO 69 Ca 0.58 0.94 0.04 0.00 0.05 0.00 0.00 61.00 62.61 2wse s PRO 69 Cb -0.43 -3.41 -0.04 0.00 0.05 0.00 0.00 34.50 30.67 2wse s PRO 69 CO 0.47 0.17 0.18 -1.01 0.05 0.00 0.00 177.00 176.86 2wse s HIS 70 N 0.41 3.29 -0.30 0.56 3.76 -1.26 -4.70 115.29 117.04 2wse s HIS 70 Ca 0.38 0.06 -0.07 0.00 -0.15 0.00 0.00 55.06 55.27 2wse s HIS 70 Cb -0.19 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.92 2wse s HIS 70 CO 0.20 0.52 0.10 -0.48 -0.85 0.00 0.00 174.74 174.23 2wse s LEU 71 N -3.02 3.93 0.00 0.89 2.34 -1.26 -3.57 118.68 117.99 2wse s LEU 71 Ca 0.32 -0.69 0.00 0.00 0.06 0.00 0.00 54.13 53.82 2wse s LEU 71 Cb -0.11 -1.91 0.00 0.00 -0.56 0.00 0.00 46.19 43.61 2wse s LEU 71 CO 0.25 -0.20 0.00 -0.38 -1.06 0.00 0.00 176.35 174.96 2wse n ILE 72 N 4.89 0.00 -2.91 1.48 -0.00 -1.26 -5.06 119.36 116.50 2wse n ILE 72 Ca -0.14 0.26 -0.03 0.00 -0.00 0.00 0.00 62.75 62.84 2wse n ILE 72 Cb 0.48 -0.89 0.00 0.00 -0.00 0.00 0.00 39.64 39.23 2wse n ILE 72 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 2wse n VAL 73 N -1.44 -8.73 -0.83 1.39 3.14 -1.26 -4.98 118.33 105.63 2wse n VAL 73 Ca 0.00 1.30 0.00 0.00 -2.96 0.00 0.00 64.34 62.68 2wse n VAL 73 Cb 0.00 -5.69 0.00 0.00 -1.06 0.00 0.00 33.84 27.09 2wse n VAL 73 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2wse n SER 74 N 0.74 0.09 -2.25 6.55 7.64 -1.22 -5.03 113.62 120.13 2wse n SER 74 Ca 0.01 -0.92 -0.01 0.00 1.01 0.00 0.00 58.87 58.95 2wse n SER 74 Cb 0.22 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2wse n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wse n GLY 75 N 0.01 -0.85 0.00 0.23 0.00 -1.02 -5.05 105.19 98.50 2wse n GLY 75 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2wse n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wse n ASP 76 N -1.06 0.00 0.00 1.61 5.75 -1.24 -5.00 116.55 116.61 2wse n ASP 76 Ca 0.02 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 2wse n ASP 76 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2wse n ASP 76 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2wse n GLN 77 N 0.00 0.00 0.00 0.11 0.00 -1.26 -2.14 117.38 114.09 2wse n GLN 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2wse n GLN 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2wse n GLN 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2wse n ARG 78 N 0.00 0.37 -3.04 3.69 5.12 -1.26 -5.09 116.66 116.45 2wse n ARG 78 Ca 0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.48 2wse n ARG 78 Cb 0.00 -0.23 -0.04 0.00 -1.16 0.00 0.00 32.46 31.03 2wse n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2wse s HIS 79 N -0.86 2.92 0.00 -1.55 0.09 -0.91 -4.67 115.29 110.31 2wse s HIS 79 Ca 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 55.06 54.19 2wse s HIS 79 Cb 0.00 -4.09 0.00 0.00 -0.00 0.00 0.00 32.58 28.49 2wse s HIS 79 CO 0.00 -1.39 0.00 0.91 -0.00 0.00 0.00 174.74 174.26 2wse n TRP 80 N 6.68 0.00 -1.85 1.40 7.02 -1.26 -2.43 117.44 127.00 2wse n TRP 80 Ca -0.07 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.06 2wse n TRP 80 Cb 0.43 0.06 -0.01 0.00 -2.42 0.00 0.00 31.31 29.37 2wse n TRP 80 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wse n GLY 81 N 2.87 5.06 0.06 6.99 0.00 -1.26 -3.54 105.19 115.37 2wse n GLY 81 Ca 0.00 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 43.89 2wse n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wse n GLU 82 N 0.49 1.87 0.00 1.61 1.02 -1.26 -4.53 120.64 119.84 2wse n GLU 82 Ca 0.52 -1.83 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 2wse n GLU 82 Cb 0.37 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2wse n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wse n PHE 83 N -0.81 -1.89 0.01 -0.32 7.35 -1.25 -4.91 117.46 115.63 2wse n PHE 83 Ca 0.07 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.75 2wse n PHE 83 Cb 0.46 0.38 -0.00 0.00 0.35 0.00 0.00 39.48 40.66 2wse n PHE 83 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2wse h ILE 84 N 0.00 0.00 -0.86 -2.13 1.08 -1.88 2.97 117.51 116.69 2wse h ILE 84 Ca 0.00 -0.18 0.17 0.00 -0.39 0.00 0.00 64.86 64.45 2wse h ILE 84 Cb 0.00 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.59 2wse h ILE 84 CO 0.00 0.00 -0.24 0.41 -0.69 0.00 0.00 178.15 177.63 2wse n THR 85 N -2.63 -0.38 -0.11 -0.27 -1.04 -1.26 0.46 114.28 109.05 2wse n THR 85 Ca -0.01 1.98 0.07 0.00 -2.04 0.00 0.00 64.05 64.06 2wse n THR 85 Cb 0.02 -2.72 0.28 0.00 -1.82 0.00 0.00 70.33 66.08 2wse n THR 85 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wse n PRO 86 N -5.38 3.13 -0.10 -2.82 -0.04 -1.24 -3.77 135.00 124.79 2wse n PRO 86 Ca 0.13 -2.20 -0.13 0.00 -0.04 0.00 0.00 63.50 61.26 2wse n PRO 86 Cb 0.42 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 2wse n PRO 86 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wse n GLY 87 N 0.93 -0.54 0.36 0.55 0.00 1.62 -3.42 105.19 104.69 2wse n GLY 87 Ca 0.20 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.00 2wse n GLY 87 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wse h ILE 88 N -1.00 0.99 -0.28 -0.61 2.04 -0.33 0.06 117.51 118.38 2wse h ILE 88 Ca -0.13 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.49 2wse h ILE 88 Cb 1.10 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 2wse h ILE 88 CO -0.08 0.16 -0.16 0.25 0.00 0.00 0.00 178.15 178.32 2wse h LEU 89 N 0.88 -0.54 -1.03 1.44 5.85 -1.71 1.08 115.31 121.29 2wse h LEU 89 Ca 0.40 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.26 2wse h LEU 89 Cb 0.36 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2wse h LEU 89 CO -0.16 -0.20 0.65 0.15 -0.34 0.00 0.00 178.44 178.54 2wse h PHE 90 N -0.13 1.22 0.64 1.25 3.57 -1.08 -1.84 116.94 120.58 2wse h PHE 90 Ca 0.15 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2wse h PHE 90 Cb 0.36 -0.41 0.01 0.00 2.79 0.00 0.00 35.95 38.69 2wse h PHE 90 CO -0.35 0.73 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.08 2wse h LEU 91 N 1.28 -0.73 -0.77 0.59 -0.00 0.49 -2.77 115.31 113.41 2wse h LEU 91 Ca 0.38 0.03 0.16 0.00 -0.00 0.00 0.00 57.88 58.45 2wse h LEU 91 Cb -0.05 0.19 -0.10 0.00 -0.00 0.00 0.00 40.66 40.70 2wse h LEU 91 CO -0.11 -0.49 0.27 0.22 -0.00 0.00 0.00 178.44 178.33 2wse h TYR 92 N -0.94 0.45 0.46 1.13 -0.00 0.13 -2.78 116.97 115.42 2wse h TYR 92 Ca -0.09 0.04 -0.02 0.00 -0.00 0.00 0.00 58.73 58.66 2wse h TYR 92 Cb 0.66 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.32 2wse h TYR 92 CO 0.06 -0.01 -0.22 0.82 -0.00 0.00 0.00 178.16 178.81 2wse h ILE 93 N 0.37 0.00 -3.11 1.81 5.03 -1.42 -3.09 117.51 117.11 2wse h ILE 93 Ca 0.44 -0.05 -0.45 0.00 -0.12 0.00 0.00 64.86 64.67 2wse h ILE 93 Cb 0.72 0.00 0.22 0.00 -3.03 0.00 0.00 36.82 34.73 2wse h ILE 93 CO -0.46 0.00 -0.26 0.00 -0.68 0.00 0.00 178.15 176.75 2wse n ALA 94 N -2.35 -3.02 0.00 1.87 0.00 -1.04 -2.03 120.51 113.94 2wse n ALA 94 Ca -0.08 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.23 2wse n ALA 94 Cb 0.24 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2wse n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wse n GLY 95 N 1.20 0.96 1.13 0.00 0.00 -1.25 -4.17 105.19 103.06 2wse n GLY 95 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2wse n GLY 95 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2wse n TRP 96 N 0.00 0.84 -0.03 1.61 4.27 -0.90 0.21 117.44 123.43 2wse n TRP 96 Ca 0.00 -0.41 -0.19 0.00 -3.89 0.00 0.00 57.50 53.01 2wse n TRP 96 Cb 0.00 -0.01 -0.14 0.00 -1.36 0.00 0.00 31.31 29.80 2wse n TRP 96 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 2wse n ILE 97 N 1.24 1.68 0.26 -1.67 2.08 -0.86 -4.51 119.36 117.58 2wse n ILE 97 Ca 0.20 -0.66 0.05 0.00 0.56 0.00 0.00 62.75 62.90 2wse n ILE 97 Cb 0.53 -1.53 -0.07 0.00 -0.75 0.00 0.00 39.64 37.82 2wse n ILE 97 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wse n GLY 98 N 2.01 -0.17 0.35 7.39 0.00 -1.24 -2.12 105.19 111.40 2wse n GLY 98 Ca -0.34 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.46 2wse n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2wse h TRP 99 N 0.00 0.89 0.00 1.61 -0.00 -0.50 0.63 115.95 118.58 2wse h TRP 99 Ca 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 58.83 2wse h TRP 99 Cb 0.34 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.19 2wse h TRP 99 CO 0.00 0.50 -1.00 -0.39 -0.00 0.00 0.00 178.44 177.55 2wse h VAL 100 N 0.90 0.34 0.08 2.65 -1.51 -1.77 -3.24 116.25 113.72 2wse h VAL 100 Ca 0.32 -1.61 0.01 0.00 -1.23 0.00 0.00 66.70 64.19 2wse h VAL 100 Cb 0.12 1.92 -0.04 0.00 -2.13 0.00 0.00 31.29 31.15 2wse h VAL 100 CO -0.10 0.20 -0.44 1.23 -1.23 0.00 0.00 177.57 177.23 2wse h GLY 101 N 3.80 -1.18 -3.49 5.19 0.00 -0.75 0.47 103.07 107.11 2wse h GLY 101 Ca -0.07 0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2wse h GLY 101 CO 0.03 -0.30 0.00 -2.13 0.00 0.00 0.00 176.54 174.14 2wse n ARG 102 N -4.95 0.50 0.05 4.80 0.63 0.21 -3.77 116.66 114.13 2wse n ARG 102 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2wse n ARG 102 Cb 0.34 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.00 2wse n ARG 102 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2wse n SER 103 N 1.75 -0.48 -2.39 6.15 3.41 -0.47 -4.35 113.62 117.24 2wse n SER 103 Ca 0.00 0.18 -0.07 0.00 -0.26 0.00 0.00 58.87 58.72 2wse n SER 103 Cb 0.25 0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 64.75 2wse n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wse n TYR 104 N -2.76 0.15 0.01 7.33 -0.00 0.03 -1.22 117.16 120.70 2wse n TYR 104 Ca 0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 57.90 57.07 2wse n TYR 104 Cb 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 39.34 38.31 2wse n TYR 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2wse n LEU 105 N 2.98 -0.10 0.00 2.98 4.77 -1.25 -4.89 117.00 121.49 2wse n LEU 105 Ca 0.22 0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 2wse n LEU 105 Cb 0.38 0.41 0.16 0.00 -2.33 0.00 0.00 43.42 42.05 2wse n LEU 105 CO 0.25 -0.48 0.56 -0.38 -1.33 0.00 0.00 177.39 176.01 2wse n ILE 106 N -2.53 0.00 1.05 -0.08 5.41 -0.36 -1.70 119.36 121.15 2wse n ILE 106 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 2wse n ILE 106 Cb 0.00 -0.14 0.32 0.00 -0.71 0.00 0.00 39.64 39.10 2wse n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wse n ALA 107 N -0.59 2.50 -3.00 -1.39 0.00 -0.89 -4.92 120.51 112.23 2wse n ALA 107 Ca 0.04 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 2wse n ALA 107 Cb 0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 2wse n ALA 107 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wse s ILE 108 N -1.82 0.00 0.00 0.00 2.07 -0.69 -4.88 121.20 115.88 2wse s ILE 108 Ca 0.34 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.57 2wse s ILE 108 Cb 0.20 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.62 2wse s ILE 108 CO 0.30 -0.01 0.00 -2.11 -1.91 0.00 0.00 174.94 171.21 2wse n ARG 109 N 2.99 0.00 -1.44 3.50 1.85 -1.26 -4.95 116.66 117.35 2wse n ARG 109 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 2wse n ARG 109 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 2wse n ARG 109 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2wse n ASP 110 N 0.00 0.00 0.00 2.89 9.92 -1.26 -4.99 116.55 123.11 2wse n ASP 110 Ca 0.00 -0.74 0.00 0.00 -0.53 0.00 0.00 54.79 53.52 2wse n ASP 110 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2wse n ASP 110 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2wse n GLU 111 N 0.00 0.00 -3.57 -1.24 0.00 -1.26 -4.44 120.64 110.13 2wse n GLU 111 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.99 2wse n GLU 111 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 2wse n GLU 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wse n LYS 112 N 0.00 0.84 -1.50 5.31 4.01 -1.26 -5.04 118.16 120.53 2wse n LYS 112 Ca 0.00 -2.23 -0.41 0.00 -0.51 0.00 0.00 58.31 55.15 2wse n LYS 112 Cb 0.00 1.05 -0.10 0.00 -0.51 0.00 0.00 35.03 35.47 2wse n LYS 112 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2wse n LYS 113 N -0.64 0.41 -2.87 1.97 3.00 -1.26 -4.85 118.16 113.92 2wse n LYS 113 Ca -0.06 0.02 -0.37 0.00 -0.00 0.00 0.00 58.31 57.90 2wse n LYS 113 Cb 0.39 -2.19 -0.01 0.00 0.00 0.00 0.00 35.03 33.23 2wse n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2wse n PRO 114 N 8.58 4.47 -1.31 1.64 -0.04 -1.26 -4.88 135.00 142.20 2wse n PRO 114 Ca 0.54 -4.69 -0.15 0.00 -0.04 0.00 0.00 63.50 59.17 2wse n PRO 114 Cb 0.20 -2.41 0.12 0.00 -0.04 0.00 0.00 33.50 31.37 2wse n PRO 114 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wse n THR 115 N 0.32 2.66 0.00 0.52 -2.24 -1.26 -4.65 114.28 109.62 2wse n THR 115 Ca 0.37 -3.38 0.00 0.00 -2.27 0.00 0.00 64.05 58.77 2wse n THR 115 Cb 0.32 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 2wse n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wse n GLN 116 N -0.95 0.00 0.00 -0.78 6.02 -1.26 -4.99 117.38 115.43 2wse n GLN 116 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2wse n GLN 116 Cb 0.92 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.18 2wse n GLN 116 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wse n LYS 117 N 0.00 0.00 -0.01 -1.09 4.76 -1.26 -2.24 118.16 118.32 2wse n LYS 117 Ca 0.00 0.17 0.09 0.00 -2.87 0.00 0.00 58.31 55.70 2wse n LYS 117 Cb 0.00 -1.65 -0.13 0.00 -1.84 0.00 0.00 35.03 31.40 2wse n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wse n GLU 118 N -1.08 0.68 0.23 1.97 4.71 -1.26 -3.56 120.64 122.34 2wse n GLU 118 Ca 0.00 -0.11 0.13 0.00 -0.01 0.00 0.00 57.16 57.17 2wse n GLU 118 Cb 0.15 -1.43 0.29 0.00 -1.01 0.00 0.00 31.44 29.45 2wse n GLU 118 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 2wse h ILE 119 N 0.00 0.02 -1.87 -3.67 3.07 -1.88 -3.40 117.51 109.77 2wse h ILE 119 Ca 0.00 -0.91 -0.51 0.00 1.55 0.00 0.00 64.86 64.99 2wse h ILE 119 Cb 0.72 1.89 -0.05 0.00 -0.27 0.00 0.00 36.82 39.11 2wse h ILE 119 CO 0.00 0.01 -0.49 0.27 -1.05 0.00 0.00 178.15 176.90 2wse s ILE 120 N -3.32 3.37 -0.15 0.16 -5.25 -1.23 -5.14 121.20 109.64 2wse s ILE 120 Ca 0.05 -1.50 0.00 0.00 -0.99 0.00 0.00 60.65 58.22 2wse s ILE 120 Cb 0.06 -3.11 0.03 0.00 2.95 0.00 0.00 42.46 42.39 2wse s ILE 120 CO 0.64 -0.18 -0.11 0.27 -1.79 0.00 0.00 174.94 173.77 2wse s ILE 121 N -2.34 1.38 0.16 8.37 -4.36 -1.26 -4.85 121.20 118.30 2wse s ILE 121 Ca 0.39 -0.58 -0.18 0.00 -0.26 0.00 0.00 60.65 60.02 2wse s ILE 121 Cb -0.05 -1.36 0.07 0.00 1.25 0.00 0.00 42.46 42.37 2wse s ILE 121 CO 0.25 0.37 1.67 -0.78 0.24 0.00 0.00 174.94 176.69 2wse h ASP 122 N 8.09 -0.40 -3.24 4.36 1.82 -1.95 -3.28 116.42 121.81 2wse h ASP 122 Ca -0.33 0.11 -0.55 0.00 -0.39 0.00 0.00 57.03 55.87 2wse h ASP 122 Cb 1.13 0.25 -0.37 0.00 0.68 0.00 0.00 39.33 41.01 2wse h ASP 122 CO 0.48 -0.15 -0.80 0.68 -1.61 0.00 0.00 179.24 177.84 2wse s VAL 123 N -6.20 1.15 0.05 2.25 -7.23 -1.26 -5.05 120.40 104.11 2wse s VAL 123 Ca -0.14 -0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 59.23 2wse s VAL 123 Cb 0.13 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 2wse s VAL 123 CO 0.70 0.27 1.64 -2.16 -0.31 0.00 0.00 175.10 175.24 2wse s PRO 124 N 1.64 4.20 0.00 4.82 0.04 -1.24 0.23 135.00 144.69 2wse s PRO 124 Ca 0.03 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2wse s PRO 124 Cb -0.14 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2wse s PRO 124 CO -0.08 -0.73 0.00 1.28 0.04 0.00 0.00 177.00 177.50 2wse n LEU 125 N 5.75 0.00 0.00 -3.56 4.77 -1.26 -1.80 117.00 120.90 2wse n LEU 125 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2wse n LEU 125 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wse n LEU 125 CO 0.62 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.68 2wse n ALA 126 N 0.21 0.00 0.00 -1.18 0.00 0.64 -4.79 120.51 115.39 2wse n ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wse n ALA 126 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wse n ALA 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wse n SER 127 N 0.00 0.00 0.07 0.00 2.88 -0.74 -3.18 113.62 112.64 2wse n SER 127 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wse n SER 127 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wse n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2wse n SER 128 N 0.00 -1.24 0.00 -3.46 3.41 -1.26 -4.81 113.62 106.26 2wse n SER 128 Ca 0.00 0.31 0.14 0.00 -0.26 0.00 0.00 58.87 59.06 2wse n SER 128 Cb 0.00 1.43 0.72 0.00 -0.26 0.00 0.00 64.21 66.11 2wse n SER 128 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wse n LEU 129 N -2.74 0.00 0.00 1.04 4.77 -1.19 -4.60 117.00 114.27 2wse n LEU 129 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2wse n LEU 129 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2wse n LEU 129 CO 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.05 2wse n LEU 130 N -1.29 0.00 0.00 2.23 -0.00 -1.26 -2.09 117.00 114.59 2wse n LEU 130 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2wse n LEU 130 Cb 0.23 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.66 2wse n LEU 130 CO 0.22 0.00 0.42 0.49 -0.00 0.00 0.00 177.39 178.52 2wse n PHE 131 N 0.00 0.00 -0.48 1.47 3.01 -1.26 -3.33 117.46 116.87 2wse n PHE 131 Ca 0.00 0.00 0.41 0.00 1.01 0.00 0.00 57.45 58.87 2wse n PHE 131 Cb 0.00 -0.32 0.63 0.00 -0.01 0.00 0.00 39.48 39.78 2wse n PHE 131 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wse n ARG 132 N -1.32 0.01 0.06 -1.08 5.12 -0.89 0.38 116.66 118.94 2wse n ARG 132 Ca 0.00 1.04 -0.10 0.00 -1.93 0.00 0.00 57.85 56.85 2wse n ARG 132 Cb 0.00 -2.47 -0.07 0.00 -1.16 0.00 0.00 32.46 28.76 2wse n ARG 132 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2wse h GLY 133 N 0.00 -0.25 1.96 -0.13 0.00 -1.78 0.90 103.07 103.78 2wse h GLY 133 Ca 0.72 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 48.04 2wse h GLY 133 CO -0.01 -0.09 -0.48 -2.75 0.00 0.00 0.00 176.54 173.22 2wse h PHE 134 N -0.89 0.05 -0.03 5.60 3.57 -0.94 0.19 116.94 124.49 2wse h PHE 134 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2wse h PHE 134 Cb 0.51 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2wse h PHE 134 CO 0.08 0.51 0.01 0.45 -2.23 0.00 0.00 178.31 177.12 2wse n SER 135 N -3.97 1.59 -4.32 0.41 2.88 0.16 -4.05 113.62 106.31 2wse n SER 135 Ca -0.02 -2.04 -0.46 0.00 -1.33 0.00 0.00 58.87 55.02 2wse n SER 135 Cb 0.50 -0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 2wse n SER 135 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2wse s TRP 136 N -0.87 3.46 0.10 0.66 -0.00 0.65 -4.81 118.94 118.13 2wse s TRP 136 Ca 0.02 -1.58 -0.19 0.00 -0.00 0.00 0.00 56.10 54.35 2wse s TRP 136 Cb 0.02 -3.81 -0.07 0.00 -0.00 0.00 0.00 33.47 29.61 2wse s TRP 136 CO 0.01 -1.01 0.60 -1.25 -0.00 0.00 0.00 176.95 175.29 2wse s PRO 137 N 1.00 4.21 0.00 5.86 0.05 -1.26 -4.86 135.00 140.01 2wse s PRO 137 Ca 0.09 0.76 0.00 0.00 0.05 0.00 0.00 61.00 61.90 2wse s PRO 137 Cb -0.22 -3.19 0.00 0.00 0.05 0.00 0.00 34.50 31.15 2wse s PRO 137 CO -0.02 0.60 0.00 0.28 0.05 0.00 0.00 177.00 177.91 2wse n VAL 138 N 1.55 0.00 0.00 -0.36 0.31 -1.26 -4.85 118.33 113.71 2wse n VAL 138 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2wse n VAL 138 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2wse n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wse n ALA 139 N 0.36 0.00 0.16 3.52 0.00 -1.26 -2.16 120.51 121.13 2wse n ALA 139 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2wse n ALA 139 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 19.45 19.99 2wse n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wse h ALA 140 N -0.65 1.84 0.00 0.00 0.00 -1.93 -0.06 119.26 118.46 2wse h ALA 140 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wse h ALA 140 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2wse h ALA 140 CO 0.00 0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.05 2wse n TYR 141 N -4.48 0.00 0.08 0.00 0.53 -0.92 -2.27 117.16 110.10 2wse n TYR 141 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.87 2wse n TYR 141 Cb 0.10 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.41 2wse n TYR 141 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wse n ARG 142 N -0.68 0.00 0.27 -0.72 5.12 -0.69 -4.90 116.66 115.06 2wse n ARG 142 Ca 0.00 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 2wse n ARG 142 Cb 0.00 0.00 0.73 0.00 -1.16 0.00 0.00 32.46 32.03 2wse n ARG 142 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2wse h GLU 143 N 0.00 0.00 0.42 5.56 4.57 -1.16 1.05 114.58 125.02 2wse h GLU 143 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2wse h GLU 143 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2wse h GLU 143 CO 0.00 0.09 -0.20 1.25 -1.18 0.00 0.00 179.01 178.96 2wse h LEU 144 N 0.00 -0.48 0.00 1.64 5.85 -1.58 -3.31 115.31 117.44 2wse h LEU 144 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wse h LEU 144 Cb 0.20 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2wse h LEU 144 CO 0.01 -0.31 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.69 2wse h LEU 145 N -0.61 0.00 -7.66 2.25 3.38 -1.15 -3.41 115.31 108.12 2wse h LEU 145 Ca -0.06 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.31 2wse h LEU 145 Cb 0.46 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.83 2wse h LEU 145 CO 0.09 0.01 -0.79 0.20 0.09 0.00 0.00 178.44 178.04 2wse s ASN 146 N -4.83 3.38 0.00 -0.43 0.02 0.35 -4.80 114.94 108.62 2wse s ASN 146 Ca 0.10 -0.92 0.00 0.00 -1.02 0.00 0.00 52.86 51.01 2wse s ASN 146 Cb 0.11 -1.09 0.00 0.00 0.02 0.00 0.00 41.25 40.29 2wse s ASN 146 CO 0.62 -0.20 0.00 0.61 0.02 0.00 0.00 177.10 178.15 2wse n GLY 147 N 4.75 -1.74 7.00 0.66 0.00 -1.26 -4.31 105.19 110.29 2wse n GLY 147 Ca -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2wse n GLY 147 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wse n GLU 148 N -1.98 0.00 -1.85 1.61 2.13 -1.26 -2.13 120.64 117.16 2wse n GLU 148 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 2wse n GLU 148 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 2wse n GLU 148 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2wse s LEU 149 N 0.00 2.96 -0.02 4.31 0.20 -1.26 -4.68 118.68 120.19 2wse s LEU 149 Ca 0.00 -0.62 0.06 0.00 0.69 0.00 0.00 54.13 54.26 2wse s LEU 149 Cb 0.00 -2.57 -0.02 0.00 -0.43 0.00 0.00 46.19 43.17 2wse s LEU 149 CO 0.00 -3.40 -0.21 0.54 -0.29 0.00 0.00 176.35 172.99 2wse s VAL 150 N 12.57 2.47 0.17 1.68 0.11 -0.91 -4.41 120.40 132.09 2wse s VAL 150 Ca 0.78 -1.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.91 2wse s VAL 150 Cb -0.08 -1.92 0.18 0.00 -1.53 0.00 0.00 36.38 33.03 2wse s VAL 150 CO 0.06 0.55 0.77 -0.67 -3.33 0.00 0.00 175.10 172.48 2wse n ASP 151 N 2.28 0.10 0.00 3.54 4.64 -1.26 0.32 116.55 126.17 2wse n ASP 151 Ca -0.16 0.82 0.00 0.00 -1.38 0.00 0.00 54.79 54.06 2wse n ASP 151 Cb 0.52 -0.37 0.00 0.00 -1.04 0.00 0.00 41.12 40.23 2wse n ASP 151 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2wse n ASN 152 N -4.25 0.00 0.13 1.67 5.03 -1.26 0.18 115.26 116.77 2wse n ASN 152 Ca 0.16 0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.73 2wse n ASN 152 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 2wse n ASN 152 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2wse n ASN 153 N -0.29 0.00 0.00 6.41 4.05 0.15 -5.20 115.26 120.38 2wse n ASN 153 Ca 0.00 0.20 0.03 0.00 0.45 0.00 0.00 54.58 55.26 2wse n ASN 153 Cb 0.00 0.00 0.16 0.00 1.23 0.00 0.00 39.78 41.17 2wse n ASN 153 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54