#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n LEU 6 N 0.00 0.00 -0.01 -2.67 -0.00 -1.26 -5.02 117.00 108.05 3kno n LEU 6 Ca 0.00 -0.40 -0.01 0.00 -0.00 0.00 0.00 56.01 55.60 3kno n LEU 6 Cb 0.00 -0.42 -0.01 0.00 -0.00 0.00 0.00 43.42 42.98 3kno n LEU 6 CO 0.00 -1.93 -0.55 -1.14 -0.00 0.00 0.00 177.39 173.77 3kno n ARG 7 N -3.45 3.36 -0.89 1.47 3.00 -1.26 -4.60 116.66 114.28 3kno n ARG 7 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.81 3kno n ARG 7 Cb 0.25 -1.04 -0.09 0.00 0.00 0.00 0.00 32.46 31.58 3kno n ARG 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3kno n PRO 8 N -2.11 1.72 0.00 -0.14 -0.04 -1.26 -3.60 135.00 129.57 3kno n PRO 8 Ca -0.03 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 3kno n PRO 8 Cb 0.55 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3kno n PRO 8 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kno n ASN 9 N 1.87 0.00 0.15 3.54 0.23 -1.26 -4.86 115.26 114.93 3kno n ASN 9 Ca 0.29 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.41 3kno n ASN 9 Cb 0.73 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.77 3kno n ASN 9 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 3kno n PRO 10 N -0.59 0.08 -0.17 -0.53 -0.02 -1.24 -4.75 135.00 127.79 3kno n PRO 10 Ca 0.00 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 61.97 3kno n PRO 10 Cb 0.00 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 3kno n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 11 N -1.28 -0.04 2.13 -1.23 0.00 -1.26 -4.60 105.19 98.91 3kno n GLY 11 Ca -0.01 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3kno n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 12 N 1.11 -0.06 -1.05 4.61 0.00 -1.26 -4.83 120.51 119.04 3kno n ALA 12 Ca 0.07 0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 3kno n ALA 12 Cb -0.00 -1.30 0.13 0.00 0.00 0.00 0.00 19.45 18.28 3kno n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kno s ASN 13 N 3.44 3.54 0.00 0.00 6.03 -1.26 -4.55 114.94 122.14 3kno s ASN 13 Ca 0.74 2.30 0.00 0.00 -1.03 0.00 0.00 52.86 54.88 3kno s ASN 13 Cb -0.95 -2.58 0.00 0.00 -3.03 0.00 0.00 41.25 34.69 3kno s ASN 13 CO 0.44 -2.70 0.00 1.17 -2.03 0.00 0.00 177.10 173.98 3kno n LYS 14 N -3.46 0.00 -3.69 3.55 4.81 -1.26 -4.47 118.16 113.64 3kno n LYS 14 Ca 0.13 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.40 3kno n LYS 14 Cb 0.51 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.40 3kno n LYS 14 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3kno s ARG 15 N 0.00 -0.00 0.00 1.64 0.52 -1.26 -4.84 118.95 115.01 3kno s ARG 15 Ca 0.00 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.66 3kno s ARG 15 Cb 0.00 -0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.13 3kno s ARG 15 CO 0.00 -0.29 0.10 2.89 0.02 0.00 0.00 175.30 178.02 3kno n ARG 16 N 5.10 0.00 -0.02 3.54 -4.01 -1.26 -5.09 116.66 114.91 3kno n ARG 16 Ca -0.08 -0.10 0.00 0.00 -1.04 0.00 0.00 57.85 56.63 3kno n ARG 16 Cb 0.50 -0.36 0.00 0.00 -3.04 0.00 0.00 32.46 29.56 3kno n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3kno n LYS 17 N 0.00 0.00 -0.22 2.89 4.81 -1.26 -4.79 118.16 119.59 3kno n LYS 17 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 3kno n LYS 17 Cb 0.32 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.40 3kno n LYS 17 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kno h ARG 18 N 0.02 0.99 0.00 1.64 2.47 -2.02 -3.42 114.38 114.07 3kno h ARG 18 Ca 0.00 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 3kno h ARG 18 Cb 0.00 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.19 3kno h ARG 18 CO 0.00 0.90 0.00 0.28 0.56 0.00 0.00 179.97 181.71 3kno n VAL 19 N -4.33 0.00 -2.16 2.04 0.31 -1.26 -4.81 118.33 108.11 3kno n VAL 19 Ca 0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.06 3kno n VAL 19 Cb 0.24 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.17 3kno n VAL 19 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kno s GLY 20 N 0.00 1.71 0.09 2.92 0.00 -1.26 -5.00 107.32 105.78 3kno s GLY 20 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.28 3kno s GLY 20 CO 0.00 0.11 1.02 0.50 0.00 0.00 0.00 173.10 174.73 3kno s ARG 21 N -4.84 4.61 -0.73 2.90 0.52 -1.26 -4.99 118.95 115.17 3kno s ARG 21 Ca 0.54 1.53 0.04 0.00 -0.52 0.00 0.00 55.73 57.32 3kno s ARG 21 Cb -0.11 -3.37 0.18 0.00 0.52 0.00 0.00 34.95 32.16 3kno s ARG 21 CO 0.47 0.07 0.53 0.20 0.02 0.00 0.00 175.30 176.59 3kno s GLY 22 N 0.35 2.95 0.00 -3.53 0.00 -1.26 -4.94 107.32 100.89 3kno s GLY 22 Ca 0.50 -3.82 0.00 0.00 0.00 0.00 0.00 44.72 41.40 3kno s GLY 22 CO 0.30 1.09 0.58 -1.05 0.00 0.00 0.00 173.10 174.02 3kno n PRO 23 N 2.06 0.89 -2.91 2.90 -0.02 -1.26 -4.18 135.00 132.48 3kno n PRO 23 Ca 0.19 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.27 3kno n PRO 23 Cb 0.35 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 3kno n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 24 N 0.16 5.51 3.57 -1.23 0.00 -1.25 -4.29 105.19 107.65 3kno n GLY 24 Ca 0.00 -2.66 -0.11 0.00 0.00 0.00 0.00 46.02 43.26 3kno n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kno s SER 25 N -1.82 0.23 -0.11 1.61 1.04 -1.26 -5.06 113.70 108.33 3kno s SER 25 Ca 0.36 -1.14 0.17 0.00 0.48 0.00 0.00 55.95 55.82 3kno s SER 25 Cb 0.12 0.63 0.66 0.00 0.10 0.00 0.00 66.02 67.53 3kno s SER 25 CO 0.00 -1.23 1.57 0.61 0.98 0.00 0.00 173.24 175.17 3kno n GLY 26 N -0.45 2.94 3.15 7.32 0.00 -1.26 -4.14 105.19 112.75 3kno n GLY 26 Ca -0.01 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.22 3kno n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kno s HIS 27 N -1.91 -1.57 0.00 1.61 5.65 -1.26 -4.94 115.29 112.86 3kno s HIS 27 Ca 0.47 1.16 0.00 0.00 0.25 0.00 0.00 55.06 56.94 3kno s HIS 27 Cb 0.31 0.36 0.00 0.00 -1.18 0.00 0.00 32.58 32.07 3kno s HIS 27 CO 0.21 -0.90 0.00 0.41 -0.65 0.00 0.00 174.74 173.81 3kno n GLY 28 N 5.39 1.24 3.01 1.59 0.00 -1.26 -4.90 105.19 110.27 3kno n GLY 28 Ca 0.03 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 3kno n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s LYS 29 N 0.00 2.76 0.00 1.61 3.01 -1.26 -4.94 119.74 120.92 3kno s LYS 29 Ca 0.00 -3.17 0.00 0.00 -1.01 0.00 0.00 55.97 51.79 3kno s LYS 29 Cb 0.00 -3.67 0.00 0.00 -1.01 0.00 0.00 37.83 33.15 3kno s LYS 29 CO 0.00 -1.25 0.00 2.41 0.51 0.00 0.00 175.35 177.02 3kno n THR 30 N 2.39 0.00 0.00 2.17 -1.04 -1.26 -3.90 114.28 112.63 3kno n THR 30 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3kno n THR 30 Cb 0.36 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 3kno n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kno n ALA 31 N -3.00 0.00 -0.06 2.41 0.00 -1.26 0.18 120.51 118.78 3kno n ALA 31 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3kno n ALA 31 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.01 3kno n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kno h THR 32 N 0.00 0.83 -0.30 0.00 1.35 -1.91 -3.48 112.91 109.39 3kno h THR 32 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3kno h THR 32 Cb 0.00 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 3kno h THR 32 CO 0.00 0.05 0.00 -1.14 -0.25 0.00 0.00 175.52 174.18 3kno n ARG 33 N -4.45 0.00 0.00 4.72 3.00 0.48 -4.69 116.66 115.72 3kno n ARG 33 Ca 0.10 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 3kno n ARG 33 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 3kno n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kno n GLY 34 N 0.88 0.00 5.87 5.14 0.00 -1.26 -4.16 105.19 111.66 3kno n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kno n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kno n HIS 35 N 0.00 -0.96 0.00 1.61 8.25 -1.26 -5.02 115.22 117.84 3kno n HIS 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kno n HIS 35 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kno n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kno n LYS 36 N -0.06 0.00 0.00 -0.41 5.02 -1.26 -4.83 118.16 116.62 3kno n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kno n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kno n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kno n GLY 37 N 0.00 1.73 0.00 0.72 0.00 -1.26 -4.95 105.19 101.43 3kno n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kno n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLN 38 N -2.00 0.46 -4.52 1.61 10.64 -1.26 -5.11 117.38 117.19 3kno n GLN 38 Ca 0.00 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.92 3kno n GLN 38 Cb 0.00 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.27 3kno n GLN 38 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3kno s LYS 39 N 4.67 1.77 -1.50 2.61 -0.14 -1.26 -4.61 119.74 121.27 3kno s LYS 39 Ca 0.00 -1.92 0.00 0.00 -1.36 0.00 0.00 55.97 52.69 3kno s LYS 39 Cb 0.00 -1.57 0.00 0.00 -1.68 0.00 0.00 37.83 34.58 3kno s LYS 39 CO 0.00 0.10 0.00 0.45 -0.76 0.00 0.00 175.35 175.14 3kno n SER 40 N -0.76 -4.82 -3.23 2.83 2.88 -1.26 -4.84 113.62 104.42 3kno n SER 40 Ca -0.05 0.17 -0.24 0.00 -1.33 0.00 0.00 58.87 57.42 3kno n SER 40 Cb 0.64 -3.83 -0.07 0.00 -0.75 0.00 0.00 64.21 60.19 3kno n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kno n ARG 41 N -2.53 1.09 -2.06 -1.46 1.74 -1.26 -4.52 116.66 107.65 3kno n ARG 41 Ca -0.17 -3.52 -0.01 0.00 -0.77 0.00 0.00 57.85 53.38 3kno n ARG 41 Cb 0.59 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.62 3kno n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kno n SER 42 N 1.22 0.08 -1.03 0.55 3.41 -1.26 -4.89 113.62 111.70 3kno n SER 42 Ca 0.23 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 3kno n SER 42 Cb 0.51 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3kno n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kno n GLY 43 N -0.45 0.60 0.00 5.00 0.00 -1.26 -5.06 105.19 104.02 3kno n GLY 43 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3kno n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 44 N -1.03 3.94 3.29 -0.02 0.00 -1.26 -5.17 105.19 104.94 3kno n GLY 44 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.76 3kno n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kno s LEU 45 N 0.00 -0.36 0.00 0.99 0.20 -1.26 -4.19 118.68 114.06 3kno s LEU 45 Ca 0.00 0.46 0.00 0.00 0.69 0.00 0.00 54.13 55.28 3kno s LEU 45 Cb 0.00 1.39 0.00 0.00 -0.43 0.00 0.00 46.19 47.15 3kno s LEU 45 CO 0.00 -0.07 0.00 1.17 -0.29 0.00 0.00 176.35 177.16 3kno n LYS 46 N 4.85 0.00 0.00 1.98 3.00 -1.26 -4.71 118.16 122.02 3kno n LYS 46 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 3kno n LYS 46 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 3kno n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3kno n ASP 47 N -1.88 0.00 -0.08 3.14 -0.08 -1.26 -5.05 116.55 111.35 3kno n ASP 47 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 3kno n ASP 47 Cb 0.00 0.18 -0.07 0.00 2.34 0.00 0.00 41.12 43.57 3kno n ASP 47 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3kno n PRO 48 N -2.26 0.40 0.00 -0.67 -0.04 -1.26 -4.99 135.00 126.18 3kno n PRO 48 Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3kno n PRO 48 Cb 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3kno n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kno n ARG 49 N -2.98 0.00 -1.73 0.54 1.74 -1.26 0.20 116.66 113.17 3kno n ARG 49 Ca -0.28 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.43 3kno n ARG 49 Cb 0.80 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.28 3kno n ARG 49 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3kno n ARG 50 N 0.00 2.68 -1.22 5.56 1.85 -1.26 -5.01 116.66 119.26 3kno n ARG 50 Ca 0.00 -3.31 0.00 0.00 -1.00 0.00 0.00 57.85 53.54 3kno n ARG 50 Cb 0.00 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.16 3kno n ARG 50 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3kno n PHE 51 N -0.46 -0.41 -1.45 2.89 3.72 0.54 -4.96 117.46 117.32 3kno n PHE 51 Ca 0.55 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 58.12 3kno n PHE 51 Cb 0.36 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.81 3kno n PHE 51 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kno n GLU 52 N 0.00 -3.28 0.00 -1.08 -0.58 -1.26 -4.92 120.64 109.52 3kno n GLU 52 Ca 0.00 2.63 0.00 0.00 -0.42 0.00 0.00 57.16 59.37 3kno n GLU 52 Cb 0.00 -3.87 0.00 0.00 -0.57 0.00 0.00 31.44 27.00 3kno n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kno n GLY 53 N -4.35 3.26 0.00 0.62 0.00 -1.26 -4.44 105.19 99.03 3kno n GLY 53 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3kno n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 54 N 0.00 0.65 0.28 -0.02 0.00 -1.26 -5.10 105.19 99.75 3kno n GLY 54 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kno n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno n ARG 55 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.98 116.66 113.76 3kno n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kno n ARG 55 Cb 0.00 -0.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 3kno n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kno n SER 56 N -2.26 0.00 0.00 0.55 7.64 -1.26 -5.02 113.62 113.26 3kno n SER 56 Ca 0.00 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.16 3kno n SER 56 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kno n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3kno n THR 57 N 0.00 0.00 0.00 0.44 -1.04 -1.26 -0.04 114.28 112.38 3kno n THR 57 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kno n THR 57 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3kno n THR 57 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kno n THR 58 N 0.00 0.00 0.00 12.58 -1.04 -1.26 -4.83 114.28 119.73 3kno n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kno n THR 58 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3kno n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kno n LEU 59 N 0.00 0.00 0.07 -4.42 0.00 0.94 -2.51 117.00 111.08 3kno n LEU 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 56.01 55.82 3kno n LEU 59 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 3kno n LEU 59 CO 0.00 0.00 0.06 0.24 0.00 0.00 0.00 177.39 177.69 3kno h MET 60 N 1.18 0.58 -6.08 1.96 2.86 -1.94 -3.45 114.93 110.04 3kno h MET 60 Ca 0.00 -0.68 -0.75 0.00 -2.06 0.00 0.00 59.70 56.21 3kno h MET 60 Cb 0.00 0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3kno h MET 60 CO 0.00 1.28 1.01 2.89 1.06 0.00 0.00 176.91 183.15 3kno n ARG 61 N -3.79 0.87 -2.26 1.72 -4.01 -1.04 -4.90 116.66 103.25 3kno n ARG 61 Ca -0.11 0.30 -0.36 0.00 -1.04 0.00 0.00 57.85 56.64 3kno n ARG 61 Cb 0.91 -2.02 -0.00 0.00 -3.04 0.00 0.00 32.46 28.30 3kno n ARG 61 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 3kno s LEU 62 N 4.40 3.89 -0.52 2.89 0.20 -1.26 -4.95 118.68 123.33 3kno s LEU 62 Ca 1.04 2.25 -0.02 0.00 0.69 0.00 0.00 54.13 58.08 3kno s LEU 62 Cb -1.14 -4.40 0.26 0.00 -0.43 0.00 0.00 46.19 40.48 3kno s LEU 62 CO 0.65 -1.06 2.21 -0.81 -0.29 0.00 0.00 176.35 177.05 3kno n PRO 63 N -0.86 2.32 0.00 0.98 -0.04 -1.26 -4.83 135.00 131.30 3kno n PRO 63 Ca 0.09 -2.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 3kno n PRO 63 Cb 0.49 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3kno n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3kno n LYS 64 N 0.01 0.00 0.00 0.54 0.00 -1.26 -4.07 118.16 113.38 3kno n LYS 64 Ca 0.47 0.33 0.00 0.00 0.00 0.00 0.00 58.31 59.11 3kno n LYS 64 Cb 0.55 -0.58 0.00 0.00 0.00 0.00 0.00 35.03 34.99 3kno n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kno n ARG 65 N -1.26 0.00 0.00 1.64 1.74 -1.26 -4.75 116.66 112.77 3kno n ARG 65 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kno n ARG 65 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3kno n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kno n GLY 66 N 0.00 3.58 2.74 -0.13 0.00 -1.26 -4.87 105.19 105.25 3kno n GLY 66 Ca 0.00 -1.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 3kno n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kno n MET 67 N 0.00 -1.06 -3.14 1.61 0.00 -1.26 -4.96 117.12 108.31 3kno n MET 67 Ca 0.00 1.30 -0.29 0.00 0.00 0.00 0.00 57.70 58.71 3kno n MET 67 Cb 0.00 -4.90 -0.05 0.00 0.00 0.00 0.00 33.22 28.27 3kno n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3kno n GLN 68 N -1.60 3.14 -1.89 2.12 6.02 -1.26 -5.04 117.38 118.87 3kno n GLN 68 Ca 0.00 -4.75 0.00 0.00 -0.01 0.00 0.00 57.00 52.24 3kno n GLN 68 Cb 0.50 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.48 3kno n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kno n GLY 69 N 0.36 -4.81 0.00 1.08 0.00 -1.26 -5.03 105.19 95.53 3kno n GLY 69 Ca 0.31 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3kno n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kno n GLN 70 N 0.34 2.65 0.00 1.61 -0.06 -1.26 -5.05 117.38 115.60 3kno n GLN 70 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3kno n GLN 70 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3kno n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3kno n VAL 71 N 0.00 0.00 0.73 1.69 3.14 -1.26 -4.70 118.33 117.94 3kno n VAL 71 Ca 0.00 -0.08 0.08 0.00 -2.96 0.00 0.00 64.34 61.38 3kno n VAL 71 Cb 0.00 0.56 0.41 0.00 -1.06 0.00 0.00 33.84 33.74 3kno n VAL 71 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3kno n PRO 72 N -0.46 0.17 0.00 1.45 -0.02 -1.26 -4.95 135.00 129.92 3kno n PRO 72 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3kno n PRO 72 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3kno n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 73 N 0.18 0.33 3.25 -1.23 0.00 -1.26 -5.06 105.19 101.39 3kno n GLY 73 Ca 0.07 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 3kno n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kno s GLU 74 N -1.30 1.20 -0.30 1.61 2.12 -1.26 -4.25 118.70 116.51 3kno s GLU 74 Ca 0.00 -1.00 -0.29 0.00 0.36 0.00 0.00 54.97 54.04 3kno s GLU 74 Cb 0.00 -1.35 -0.01 0.00 0.26 0.00 0.00 34.13 33.03 3kno s GLU 74 CO 0.00 0.33 1.63 0.42 -0.54 0.00 0.00 175.26 177.09 3kno s ILE 75 N -0.97 3.68 -0.97 -3.70 1.09 -1.26 -4.91 121.20 114.16 3kno s ILE 75 Ca 0.06 0.73 -0.24 0.00 -1.10 0.00 0.00 60.65 60.10 3kno s ILE 75 Cb -0.09 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 3kno s ILE 75 CO 0.03 -0.43 1.87 -0.75 -0.10 0.00 0.00 174.94 175.55 3kno s LYS 76 N 5.04 2.73 0.18 2.79 2.20 -1.26 -4.94 119.74 126.49 3kno s LYS 76 Ca 0.72 -0.57 0.06 0.00 -0.36 0.00 0.00 55.97 55.82 3kno s LYS 76 Cb -0.21 -5.14 -0.04 0.00 -1.51 0.00 0.00 37.83 30.92 3kno s LYS 76 CO 0.31 -3.27 0.08 -0.98 -0.36 0.00 0.00 175.35 171.14 3kno s ARG 77 N 6.57 2.69 -0.28 4.03 1.70 -1.26 -5.07 118.95 127.33 3kno s ARG 77 Ca 0.66 -1.01 -0.29 0.00 -0.47 0.00 0.00 55.73 54.63 3kno s ARG 77 Cb -0.05 -2.50 -0.02 0.00 -0.57 0.00 0.00 34.95 31.81 3kno s ARG 77 CO 0.00 0.46 1.75 -1.25 -1.08 0.00 0.00 175.30 175.18 3kno s PRO 78 N -3.15 3.51 0.24 3.89 0.04 -1.26 -5.01 135.00 133.26 3kno s PRO 78 Ca 0.30 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.75 3kno s PRO 78 Cb -0.09 -4.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.22 3kno s PRO 78 CO 0.22 -1.65 0.64 -0.98 0.04 0.00 0.00 177.00 175.27 3kno s ARG 79 N 5.31 3.98 -0.10 4.56 1.70 -1.26 -5.08 118.95 128.05 3kno s ARG 79 Ca 0.78 0.55 0.02 0.00 -0.47 0.00 0.00 55.73 56.60 3kno s ARG 79 Cb -0.24 -2.68 -0.02 0.00 -0.57 0.00 0.00 34.95 31.44 3kno s ARG 79 CO 0.33 0.32 -0.15 0.71 -1.08 0.00 0.00 175.30 175.42 3kno s TYR 80 N -1.74 2.74 -0.23 5.89 2.02 -1.26 -4.14 117.35 120.62 3kno s TYR 80 Ca 0.47 -0.55 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 3kno s TYR 80 Cb -0.13 -1.76 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3kno s TYR 80 CO 0.19 -0.12 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.82 3kno s GLN 81 N 0.03 2.84 0.11 -0.62 0.74 -0.72 -5.01 119.66 117.04 3kno s GLN 81 Ca -0.05 -0.97 -0.26 0.00 0.05 0.00 0.00 55.36 54.13 3kno s GLN 81 Cb -0.15 -2.89 -0.07 0.00 1.10 0.00 0.00 33.01 31.00 3kno s GLN 81 CO 0.04 -0.37 0.81 0.20 -0.55 0.00 0.00 175.29 175.42 3kno s GLY 82 N 1.30 2.89 0.11 2.59 0.00 -1.25 -2.86 107.32 110.10 3kno s GLY 82 Ca 0.00 0.37 0.09 0.00 0.00 0.00 0.00 44.72 45.19 3kno s GLY 82 CO -0.06 1.06 -0.23 0.54 0.00 0.00 0.00 173.10 174.40 3kno s VAL 83 N -0.56 1.91 0.49 1.40 0.11 -0.73 -4.92 120.40 118.10 3kno s VAL 83 Ca 0.39 -1.60 -0.03 0.00 -2.93 0.00 0.00 61.98 57.80 3kno s VAL 83 Cb -0.22 -1.71 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 3kno s VAL 83 CO 0.26 0.02 0.76 0.20 -3.33 0.00 0.00 175.10 173.00 3kno s ASN 84 N -1.91 5.97 0.08 3.54 0.02 -1.26 -1.65 114.94 119.73 3kno s ASN 84 Ca 0.09 0.65 0.13 0.00 -1.02 0.00 0.00 52.86 52.70 3kno s ASN 84 Cb -0.10 -1.89 -0.15 0.00 0.02 0.00 0.00 41.25 39.13 3kno s ASN 84 CO 0.05 -0.71 0.99 0.17 0.02 0.00 0.00 177.10 177.62 3kno h LEU 85 N 0.22 0.00 -1.93 0.60 -0.00 -1.74 -3.13 115.31 109.34 3kno h LEU 85 Ca -0.47 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.50 3kno h LEU 85 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.88 3kno h LEU 85 CO 0.60 0.81 0.44 0.50 -0.00 0.00 0.00 178.44 180.79 3kno h LYS 86 N 0.00 0.00 -0.02 0.17 3.64 -1.80 1.36 116.57 119.92 3kno h LYS 86 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3kno h LYS 86 Cb 1.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 3kno h LYS 86 CO 0.08 0.00 -0.08 -0.25 -2.27 0.00 0.00 179.45 176.93 3kno n ASP 87 N -3.45 2.25 -0.62 4.20 8.00 -1.18 -4.23 116.55 121.51 3kno n ASP 87 Ca 0.05 -1.62 0.10 0.00 0.71 0.00 0.00 54.79 54.03 3kno n ASP 87 Cb 0.58 0.11 0.34 0.00 -0.02 0.00 0.00 41.12 42.13 3kno n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kno n LEU 88 N 0.71 1.86 0.01 0.64 4.32 0.47 -3.50 117.00 121.51 3kno n LEU 88 Ca 0.09 -0.79 -0.08 0.00 -0.02 0.00 0.00 56.01 55.22 3kno n LEU 88 Cb 0.41 -0.13 -0.13 0.00 -1.62 0.00 0.00 43.42 41.95 3kno n LEU 88 CO 0.13 0.39 -0.24 0.00 -1.22 0.00 0.00 177.39 176.46 3kno h ALA 89 N 4.08 0.60 -1.29 -1.18 0.00 -1.70 -3.35 119.26 116.41 3kno h ALA 89 Ca 0.00 -1.22 0.40 0.00 0.00 0.00 0.00 54.91 54.08 3kno h ALA 89 Cb 0.54 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 3kno h ALA 89 CO 0.00 1.43 0.85 -0.09 0.00 0.00 0.00 179.25 181.45 3kno h ARG 90 N 0.00 0.14 -3.58 0.00 2.43 -1.84 -3.40 114.38 108.13 3kno h ARG 90 Ca -0.17 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.83 3kno h ARG 90 Cb 1.90 -0.03 -0.22 0.00 -0.42 0.00 0.00 29.97 31.20 3kno h ARG 90 CO 0.10 0.09 -0.55 -0.59 -1.51 0.00 0.00 179.97 177.51 3kno s PHE 91 N -5.28 0.04 0.34 2.20 -0.71 -1.26 -5.17 117.98 108.14 3kno s PHE 91 Ca -0.07 -0.09 0.07 0.00 -1.04 0.00 0.00 56.93 55.80 3kno s PHE 91 Cb 0.28 -0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 42.02 3kno s PHE 91 CO 0.82 -0.21 0.39 -2.00 -1.34 0.00 0.00 175.22 172.88 3kno s GLU 92 N -1.01 2.91 0.00 1.99 2.12 -1.26 -4.91 118.70 118.54 3kno s GLU 92 Ca -0.11 -1.17 0.00 0.00 0.36 0.00 0.00 54.97 54.05 3kno s GLU 92 Cb -0.06 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.68 3kno s GLU 92 CO 0.01 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 3kno n GLY 93 N -1.53 0.22 3.49 -1.50 0.00 -1.26 -4.87 105.19 99.74 3kno n GLY 93 Ca -0.00 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 3kno n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kno s GLU 94 N 0.00 3.20 -0.34 1.61 2.12 -1.26 -3.31 118.70 120.72 3kno s GLU 94 Ca 0.00 -0.58 -0.26 0.00 0.36 0.00 0.00 54.97 54.48 3kno s GLU 94 Cb 0.00 -4.00 0.01 0.00 0.26 0.00 0.00 34.13 30.40 3kno s GLU 94 CO 0.00 -1.07 0.95 0.14 -0.54 0.00 0.00 175.26 174.74 3kno s VAL 95 N 2.72 4.59 -0.18 3.70 -7.23 -0.35 -4.94 120.40 118.71 3kno s VAL 95 Ca 0.19 1.37 -0.01 0.00 -1.81 0.00 0.00 61.98 61.71 3kno s VAL 95 Cb -0.16 -4.33 -0.00 0.00 0.56 0.00 0.00 36.38 32.45 3kno s VAL 95 CO 0.16 -0.47 -0.11 0.42 -0.31 0.00 0.00 175.10 174.78 3kno s THR 96 N 3.45 2.90 -0.41 5.32 -4.23 -1.26 -1.70 115.64 119.71 3kno s THR 96 Ca 0.40 -0.67 -0.31 0.00 -1.18 0.00 0.00 61.69 59.93 3kno s THR 96 Cb -0.12 -2.27 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 3kno s THR 96 CO 0.17 0.48 2.31 -2.65 -0.54 0.00 0.00 174.62 174.39 3kno n PRO 97 N 4.38 1.20 0.00 3.99 -0.02 -1.26 0.18 135.00 143.47 3kno n PRO 97 Ca -0.19 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3kno n PRO 97 Cb 0.51 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 3kno n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kno n GLU 98 N 8.59 0.00 0.05 -0.52 -0.00 -1.26 -4.79 120.64 122.72 3kno n GLU 98 Ca 0.40 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.69 3kno n GLU 98 Cb 0.35 0.00 0.43 0.00 -0.00 0.00 0.00 31.44 32.22 3kno n GLU 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3kno n LEU 99 N 0.00 0.48 -0.08 -1.84 0.00 0.48 -1.75 117.00 114.29 3kno n LEU 99 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 56.01 56.31 3kno n LEU 99 Cb 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 43.42 42.98 3kno n LEU 99 CO 0.00 -0.06 -0.03 -0.07 0.00 0.00 0.00 177.39 177.23 3kno h LEU 100 N 0.00 0.00 0.34 -1.96 -0.00 -1.82 -3.28 115.31 108.58 3kno h LEU 100 Ca 0.00 -0.56 -0.02 0.00 -0.00 0.00 0.00 57.88 57.30 3kno h LEU 100 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 3kno h LEU 100 CO 0.00 1.02 -0.17 -0.37 -0.00 0.00 0.00 178.44 178.93 3kno h VAL 101 N -1.00 0.66 0.00 1.22 -1.51 -1.51 -0.69 116.25 113.42 3kno h VAL 101 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 3kno h VAL 101 Cb 0.85 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 3kno h VAL 101 CO -0.06 0.00 0.00 -1.14 -1.23 0.00 0.00 177.57 175.14 3kno n ARG 102 N -5.29 0.00 0.00 5.19 0.63 -0.71 -4.06 116.66 112.41 3kno n ARG 102 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 3kno n ARG 102 Cb 0.20 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.04 3kno n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kno n ALA 103 N -0.43 0.00 -0.11 5.13 0.00 -0.35 -4.99 120.51 119.76 3kno n ALA 103 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3kno n ALA 103 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3kno n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 104 N 0.03 -0.73 0.10 0.00 0.00 -0.71 -5.04 105.19 98.82 3kno n GLY 104 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 3kno n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3kno n LEU 105 N -4.35 0.00 0.00 0.99 -0.00 -1.18 -4.86 117.00 107.59 3kno n LEU 105 Ca -0.38 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.54 3kno n LEU 105 Cb 0.75 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 3kno n LEU 105 CO 0.15 -0.01 0.00 -0.11 -0.00 0.00 0.00 177.39 177.42 3kno n LEU 106 N 0.00 0.00 -3.30 1.47 7.94 -1.26 -2.49 117.00 119.36 3kno n LEU 106 Ca -0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.61 3kno n LEU 106 Cb 0.02 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.00 3kno n LEU 106 CO 0.01 0.00 -0.21 2.29 -1.11 0.00 0.00 177.39 178.36 3kno n LYS 107 N 0.00 -1.98 -0.28 1.96 2.85 -1.26 -1.05 118.16 118.40 3kno n LYS 107 Ca 0.00 1.60 0.00 0.00 -1.05 0.00 0.00 58.31 58.86 3kno n LYS 107 Cb 0.00 -2.97 0.00 0.00 -0.65 0.00 0.00 35.03 31.41 3kno n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kno n LYS 108 N -0.09 -1.22 0.00 -1.58 5.02 -1.26 -4.48 118.16 114.55 3kno n LYS 108 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3kno n LYS 108 Cb 0.60 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 3kno n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kno n GLY 109 N 0.00 0.00 1.61 0.72 0.00 -0.21 -4.85 105.19 102.45 3kno n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kno n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kno n TYR 110 N -0.80 -3.98 -1.96 1.61 9.36 -1.26 -4.29 117.16 115.83 3kno n TYR 110 Ca 0.00 2.12 0.00 0.00 3.32 0.00 0.00 57.90 63.34 3kno n TYR 110 Cb 0.00 -3.20 0.00 0.00 -0.63 0.00 0.00 39.34 35.51 3kno n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3kno n ARG 111 N -1.06 -3.03 -3.69 2.98 1.74 -1.26 -3.44 116.66 108.89 3kno n ARG 111 Ca 0.00 2.15 -0.37 0.00 -0.77 0.00 0.00 57.85 58.86 3kno n ARG 111 Cb 0.04 -2.68 -0.12 0.00 -1.02 0.00 0.00 32.46 28.68 3kno n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kno s LEU 112 N -0.30 3.70 -0.19 0.55 1.98 -1.26 -1.75 118.68 121.41 3kno s LEU 112 Ca 0.00 -0.19 0.01 0.00 -2.89 0.00 0.00 54.13 51.07 3kno s LEU 112 Cb 0.00 -1.99 0.03 0.00 0.66 0.00 0.00 46.19 44.88 3kno s LEU 112 CO 0.00 -0.06 -0.18 -0.75 -1.89 0.00 0.00 176.35 173.47 3kno s LYS 113 N 1.66 2.85 -0.11 1.98 2.20 -1.13 -1.23 119.74 125.96 3kno s LYS 113 Ca 0.06 -0.89 -0.16 0.00 -0.36 0.00 0.00 55.97 54.62 3kno s LYS 113 Cb -0.16 -2.59 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 3kno s LYS 113 CO 0.06 -0.26 0.42 -1.50 -0.36 0.00 0.00 175.35 173.71 3kno s ILE 114 N 1.27 5.19 0.00 5.43 1.10 -0.57 -1.77 121.20 131.85 3kno s ILE 114 Ca 0.03 0.83 0.00 0.00 -0.51 0.00 0.00 60.65 61.00 3kno s ILE 114 Cb -0.14 -3.75 0.00 0.00 0.15 0.00 0.00 42.46 38.72 3kno s ILE 114 CO -0.12 0.39 0.00 0.00 -2.11 0.00 0.00 174.94 173.10 3kno n LEU 115 N 3.29 0.00 0.00 8.50 -0.00 -0.66 -2.30 117.00 125.83 3kno n LEU 115 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 3kno n LEU 115 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3kno n LEU 115 CO 0.41 -0.14 0.00 0.61 -0.00 0.00 0.00 177.39 178.28 3kno n GLY 116 N 5.00 0.97 2.48 1.47 0.00 -1.26 -3.75 105.19 110.10 3kno n GLY 116 Ca 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 3kno n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kno n GLU 117 N 0.00 -4.39 0.00 1.61 2.13 -1.26 -4.26 120.64 114.47 3kno n GLU 117 Ca 0.00 3.32 0.00 0.00 0.66 0.00 0.00 57.16 61.14 3kno n GLU 117 Cb 0.00 -4.77 0.00 0.00 0.27 0.00 0.00 31.44 26.94 3kno n GLU 117 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kno n GLY 118 N 1.61 2.52 3.60 8.31 0.00 -1.26 -3.48 105.19 116.49 3kno n GLY 118 Ca -0.36 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.25 3kno n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kno s GLU 119 N -1.88 3.94 0.67 1.61 0.41 -1.26 -4.86 118.70 117.33 3kno s GLU 119 Ca 0.00 -0.35 -0.11 0.00 -0.41 0.00 0.00 54.97 54.10 3kno s GLU 119 Cb 0.00 -3.37 0.17 0.00 -1.78 0.00 0.00 34.13 29.15 3kno s GLU 119 CO 0.00 0.08 0.42 0.00 -0.49 0.00 0.00 175.26 175.26 3kno n ALA 120 N 4.18 -2.31 -3.61 5.21 0.00 -1.26 -4.78 120.51 117.94 3kno n ALA 120 Ca -0.16 -0.72 -0.10 0.00 0.00 0.00 0.00 53.44 52.46 3kno n ALA 120 Cb 0.52 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 3kno n ALA 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kno s LYS 121 N -3.99 0.63 -0.44 0.00 2.20 -1.26 -5.08 119.74 111.80 3kno s LYS 121 Ca 0.31 0.99 -0.33 0.00 -0.36 0.00 0.00 55.97 56.58 3kno s LYS 121 Cb -0.05 0.17 -0.12 0.00 -1.51 0.00 0.00 37.83 36.32 3kno s LYS 121 CO 0.26 -0.13 2.28 -2.30 -0.36 0.00 0.00 175.35 175.10 3kno n PRO 122 N 3.78 0.96 0.00 4.03 -0.02 -0.79 -4.70 135.00 138.25 3kno n PRO 122 Ca -0.19 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3kno n PRO 122 Cb 0.57 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3kno n PRO 122 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3kno n LEU 123 N 10.77 0.00 -4.76 2.45 -0.00 -1.25 -4.82 117.00 119.39 3kno n LEU 123 Ca 0.43 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 56.08 3kno n LEU 123 Cb 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.69 3kno n LEU 123 CO 0.77 0.00 0.83 -0.75 -0.00 0.00 0.00 177.39 178.24 3kno s LYS 124 N -2.00 3.18 -0.44 1.47 2.20 -1.21 -1.69 119.74 121.25 3kno s LYS 124 Ca 0.00 1.77 0.07 0.00 -0.36 0.00 0.00 55.97 57.46 3kno s LYS 124 Cb 0.00 -2.02 0.25 0.00 -1.51 0.00 0.00 37.83 34.56 3kno s LYS 124 CO 0.00 -1.02 0.72 1.33 -0.36 0.00 0.00 175.35 176.02 3kno n VAL 125 N -1.36 -0.33 -1.38 4.02 0.24 -1.26 -1.21 118.33 117.06 3kno n VAL 125 Ca 0.12 -2.80 -0.37 0.00 -2.04 0.00 0.00 64.34 59.24 3kno n VAL 125 Cb 0.50 -0.17 0.05 0.00 -1.47 0.00 0.00 33.84 32.74 3kno n VAL 125 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3kno n VAL 126 N 1.41 1.97 -2.50 3.34 0.31 -0.69 -4.05 118.33 118.12 3kno n VAL 126 Ca 0.15 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3kno n VAL 126 Cb 0.59 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 3kno n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kno n ALA 127 N -1.92 0.00 0.00 3.52 0.00 0.97 -4.13 120.51 118.94 3kno n ALA 127 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3kno n ALA 127 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3kno n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kno n HIS 128 N 0.00 0.00 -3.59 0.00 8.25 -0.36 -4.23 115.22 115.29 3kno n HIS 128 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3kno n HIS 128 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 3kno n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kno s ALA 129 N -1.23 -1.99 0.10 -1.41 0.00 -1.20 -4.41 121.76 111.62 3kno s ALA 129 Ca 0.00 1.59 0.04 0.00 0.00 0.00 0.00 51.96 53.59 3kno s ALA 129 Cb 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3kno s ALA 129 CO 0.00 -0.40 -0.12 -0.06 0.00 0.00 0.00 175.76 175.18 3kno s PHE 130 N -1.61 1.18 -0.06 0.00 0.08 -1.26 -1.52 117.98 114.79 3kno s PHE 130 Ca 0.04 -0.60 -0.25 0.00 0.12 0.00 0.00 56.93 56.24 3kno s PHE 130 Cb -0.01 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.77 3kno s PHE 130 CO -0.03 0.05 0.76 -1.54 -0.10 0.00 0.00 175.22 174.36 3kno s SER 131 N -2.39 7.05 0.09 1.36 1.04 -0.97 -4.79 113.70 115.09 3kno s SER 131 Ca 0.06 1.26 -0.05 0.00 0.48 0.00 0.00 55.95 57.70 3kno s SER 131 Cb -0.04 -2.44 0.12 0.00 0.10 0.00 0.00 66.02 63.75 3kno s SER 131 CO 0.01 -0.16 0.56 0.29 0.98 0.00 0.00 173.24 174.92 3kno n LYS 132 N 3.92 -0.06 -0.17 4.02 5.02 -1.26 0.30 118.16 129.93 3kno n LYS 132 Ca 0.00 0.56 -0.08 0.00 -2.02 0.00 0.00 58.31 56.77 3kno n LYS 132 Cb 0.51 -0.83 0.01 0.00 -0.02 0.00 0.00 35.03 34.70 3kno n LYS 132 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kno h SER 133 N 0.00 0.62 -0.12 4.39 0.87 -1.98 -2.97 113.55 114.36 3kno h SER 133 Ca 0.14 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 3kno h SER 133 Cb 0.23 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3kno h SER 133 CO -0.36 0.56 -0.10 0.00 -0.53 0.00 0.00 176.83 176.39 3kno h ALA 134 N 1.08 0.17 -0.88 6.23 0.00 0.44 -2.61 119.26 123.69 3kno h ALA 134 Ca 0.17 -0.30 0.24 0.00 0.00 0.00 0.00 54.91 55.02 3kno h ALA 134 Cb 0.10 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 3kno h ALA 134 CO -0.02 0.01 0.22 1.25 0.00 0.00 0.00 179.25 180.71 3kno h LEU 135 N -0.11 -0.03 -0.04 0.00 7.12 -0.65 -1.17 115.31 120.43 3kno h LEU 135 Ca 0.02 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.22 3kno h LEU 135 Cb 0.62 0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 41.03 3kno h LEU 135 CO 0.03 -0.17 -0.03 -0.33 -0.13 0.00 0.00 178.44 177.80 3kno h GLU 136 N 0.19 0.09 0.00 1.25 5.08 -1.44 -3.09 114.58 116.65 3kno h GLU 136 Ca 0.55 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 3kno h GLU 136 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3kno h GLU 136 CO -0.67 0.54 0.14 0.87 -1.00 0.00 0.00 179.01 178.90 3kno h LYS 137 N -0.37 0.00 0.00 2.33 1.57 -0.85 0.65 116.57 119.91 3kno h LYS 137 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kno h LYS 137 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3kno h LYS 137 CO 0.01 0.00 -0.75 -0.11 -0.57 0.00 0.00 179.45 178.03 3kno n LEU 138 N -2.46 0.72 0.25 2.94 7.94 -0.80 -3.51 117.00 122.07 3kno n LEU 138 Ca -0.02 -0.21 0.17 0.00 -1.11 0.00 0.00 56.01 54.84 3kno n LEU 138 Cb 0.18 -0.13 0.80 0.00 0.53 0.00 0.00 43.42 44.80 3kno n LEU 138 CO 0.11 0.17 1.00 0.50 -1.11 0.00 0.00 177.39 178.07 3kno h LYS 139 N 0.00 0.00 -1.90 1.96 3.64 0.36 -2.74 116.57 117.90 3kno h LYS 139 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kno h LYS 139 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3kno h LYS 139 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 3kno n ALA 140 N -1.99 2.40 -0.87 5.00 0.00 -1.23 -4.58 120.51 119.24 3kno n ALA 140 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 140 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3kno n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n ALA 141 N 1.56 -1.75 -2.58 0.00 0.00 -1.05 -4.57 120.51 112.12 3kno n ALA 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 141 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3kno n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 142 N 0.41 0.71 0.73 0.00 0.00 -1.13 -1.89 105.19 104.02 3kno n GLY 142 Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3kno n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 143 N 0.00 4.02 1.55 -0.02 0.00 -0.68 -4.62 105.19 105.44 3kno n GLY 143 Ca 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 46.02 43.77 3kno n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kno n GLU 144 N -0.28 0.32 -0.90 1.61 2.13 -1.26 -4.81 120.64 117.45 3kno n GLU 144 Ca -0.04 -0.36 -0.29 0.00 0.66 0.00 0.00 57.16 57.13 3kno n GLU 144 Cb 0.13 0.23 -0.03 0.00 0.27 0.00 0.00 31.44 32.04 3kno n GLU 144 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kno n PRO 145 N -0.36 1.96 0.00 5.31 -0.02 -1.26 -4.80 135.00 135.83 3kno n PRO 145 Ca -0.06 -1.62 0.00 0.00 -2.02 0.00 0.00 63.50 59.80 3kno n PRO 145 Cb 0.56 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3kno n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kno n VAL 146 N 4.74 0.00 -0.02 -1.45 3.14 -1.26 -0.02 118.33 123.46 3kno n VAL 146 Ca 0.47 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.85 3kno n VAL 146 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 3kno n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3kno n LEU 147 N 0.00 0.00 -0.02 6.55 7.94 -1.26 -4.30 117.00 125.91 3kno n LEU 147 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3kno n LEU 147 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 3kno n LEU 147 CO 0.00 0.00 -0.00 0.18 -1.11 0.00 0.00 177.39 176.46 3kno n LEU 148 N 0.00 -0.01 -0.46 -1.96 4.77 -1.26 -4.26 117.00 113.81 3kno n LEU 148 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3kno n LEU 148 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3kno n LEU 148 CO 0.00 -0.06 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.24 3kno n GLU 149 N -1.17 -1.21 0.00 3.23 -0.58 -1.26 -5.08 120.64 114.57 3kno n GLU 149 Ca 0.00 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 3kno n GLU 149 Cb 0.01 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 3kno n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65