#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno h ASN 2 N 0.00 -1.12 -4.06 6.12 2.35 -2.05 -2.89 115.58 113.93 3kno h ASN 2 Ca 0.00 0.17 -0.72 0.00 -0.55 0.00 0.00 56.30 55.20 3kno h ASN 2 Cb 0.00 0.49 -0.34 0.00 0.05 0.00 0.00 38.32 38.53 3kno h ASN 2 CO 0.00 -0.12 -0.25 -0.13 -1.65 0.00 0.00 177.43 175.27 3kno s ARG 3 N -4.30 2.83 0.26 0.81 1.81 -1.26 -4.86 118.95 114.24 3kno s ARG 3 Ca -0.06 -2.59 0.09 0.00 -1.72 0.00 0.00 55.73 51.45 3kno s ARG 3 Cb 0.06 -3.88 0.50 0.00 -0.45 0.00 0.00 34.95 31.17 3kno s ARG 3 CO 0.32 -1.20 1.13 0.41 -0.68 0.00 0.00 175.30 175.28 3kno n GLY 4 N 3.47 -0.51 0.09 -3.53 0.00 -1.09 -1.23 105.19 102.39 3kno n GLY 4 Ca 0.10 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3kno n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 5 N -1.47 0.66 0.31 4.61 0.00 -1.26 -3.74 120.51 119.62 3kno n ALA 5 Ca -0.01 -0.53 0.18 0.00 0.00 0.00 0.00 53.44 53.08 3kno n ALA 5 Cb 0.36 -0.17 1.03 0.00 0.00 0.00 0.00 19.45 20.67 3kno n ALA 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kno h LEU 6 N -1.00 0.00 -0.11 0.00 6.46 -1.68 0.92 115.31 119.89 3kno h LEU 6 Ca -0.17 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 3kno h LEU 6 Cb 0.91 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 3kno h LEU 6 CO -0.10 0.00 0.03 0.40 -0.62 0.00 0.00 178.44 178.15 3kno h ILE 7 N 0.00 1.18 0.00 4.05 1.08 -1.34 -2.37 117.51 120.11 3kno h ILE 7 Ca 0.00 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 3kno h ILE 7 Cb 0.04 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 3kno h ILE 7 CO -0.00 0.16 0.17 0.11 -0.69 0.00 0.00 178.15 177.90 3kno h LYS 8 N -0.00 0.00 0.00 2.37 1.57 -0.90 1.05 116.57 120.66 3kno h LYS 8 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3kno h LYS 8 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3kno h LYS 8 CO -0.00 0.00 -0.96 -0.07 -0.57 0.00 0.00 179.45 177.85 3kno h LEU 9 N 0.00 0.00 0.47 2.94 3.38 -1.36 -2.96 115.31 117.78 3kno h LEU 9 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kno h LEU 9 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kno h LEU 9 CO 0.00 0.07 -0.23 0.58 0.09 0.00 0.00 178.44 178.95 3kno h VAL 10 N 0.00 0.53 -0.71 1.22 2.07 0.13 -2.29 116.25 117.20 3kno h VAL 10 Ca -0.02 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3kno h VAL 10 Cb 1.07 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3kno h VAL 10 CO 0.01 0.02 0.22 -0.33 0.02 0.00 0.00 177.57 177.51 3kno h GLU 11 N -0.71 1.10 -4.97 1.57 3.07 -1.69 -3.26 114.58 109.67 3kno h GLU 11 Ca -0.07 -0.24 -0.49 0.00 -0.50 0.00 0.00 59.36 58.07 3kno h GLU 11 Cb 0.53 -0.16 0.12 0.00 -0.84 0.00 0.00 28.75 28.40 3kno h GLU 11 CO 0.11 0.94 1.23 0.43 -1.40 0.00 0.00 179.01 180.32 3kno n SER 12 N -4.29 0.67 -0.00 1.42 7.64 -0.86 -4.02 113.62 114.18 3kno n SER 12 Ca 0.05 -2.18 0.05 0.00 1.01 0.00 0.00 58.87 57.80 3kno n SER 12 Cb 0.23 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.95 3kno n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3kno n ARG 13 N 7.24 3.54 -0.04 1.43 3.00 -1.23 -4.50 116.66 126.10 3kno n ARG 13 Ca 0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 3kno n ARG 13 Cb 0.38 -0.98 0.02 0.00 0.00 0.00 0.00 32.46 31.88 3kno n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3kno n TYR 14 N -1.27 0.08 -1.21 -0.14 4.02 -1.26 -4.89 117.16 112.49 3kno n TYR 14 Ca 0.02 -0.03 -0.36 0.00 -0.01 0.00 0.00 57.90 57.52 3kno n TYR 14 Cb 0.16 -0.09 0.08 0.00 -0.02 0.00 0.00 39.34 39.47 3kno n TYR 14 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 3kno n VAL 15 N -0.09 1.65 0.00 -0.72 3.14 -1.26 -4.78 118.33 116.27 3kno n VAL 15 Ca 0.01 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 3kno n VAL 15 Cb 0.22 -0.76 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 3kno n VAL 15 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3kno n ARG 16 N -0.95 2.41 0.00 1.45 5.12 -1.26 -5.02 116.66 118.41 3kno n ARG 16 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 3kno n ARG 16 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 3kno n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3kno n THR 17 N 0.00 0.00 0.00 0.55 5.66 -1.26 -5.08 114.28 114.15 3kno n THR 17 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3kno n THR 17 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3kno n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3kno n ASP 18 N 0.00 0.00 0.00 1.09 5.75 -1.26 -4.93 116.55 117.20 3kno n ASP 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3kno n ASP 18 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3kno n ASP 18 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kno n LEU 19 N 0.00 0.00 -4.55 -2.12 4.32 -1.26 -4.72 117.00 108.66 3kno n LEU 19 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 3kno n LEU 19 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 3kno n LEU 19 CO 0.00 0.00 0.39 -2.65 -1.22 0.00 0.00 177.39 173.91 3kno n PRO 20 N 0.00 1.00 -1.71 3.23 -0.02 -1.26 -4.93 135.00 131.32 3kno n PRO 20 Ca 0.00 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 3kno n PRO 20 Cb 0.00 -1.87 0.05 0.00 -0.02 0.00 0.00 33.50 31.66 3kno n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kno s GLU 21 N -1.98 2.78 -0.24 -0.52 2.12 -1.26 -5.01 118.70 114.59 3kno s GLU 21 Ca 0.65 1.32 -0.26 0.00 0.36 0.00 0.00 54.97 57.04 3kno s GLU 21 Cb -0.55 -1.95 0.09 0.00 0.26 0.00 0.00 34.13 31.98 3kno s GLU 21 CO 0.56 -1.26 0.83 -0.59 -0.54 0.00 0.00 175.26 174.26 3kno s PHE 22 N -2.46 -0.66 0.33 5.30 -0.12 -1.26 -5.04 117.98 114.07 3kno s PHE 22 Ca 0.65 1.54 0.07 0.00 -0.05 0.00 0.00 56.93 59.15 3kno s PHE 22 Cb -0.19 0.32 -0.06 0.00 -0.63 0.00 0.00 43.02 42.46 3kno s PHE 22 CO 0.44 -0.36 -0.05 -0.98 -0.05 0.00 0.00 175.22 174.22 3kno s ARG 23 N 0.09 1.71 0.00 1.99 1.70 -1.26 -4.96 118.95 118.23 3kno s ARG 23 Ca -0.00 -1.90 0.00 0.00 -0.47 0.00 0.00 55.73 53.36 3kno s ARG 23 Cb -0.04 -1.39 0.00 0.00 -0.57 0.00 0.00 34.95 32.95 3kno s ARG 23 CO -0.00 0.04 0.00 -2.30 -1.08 0.00 0.00 175.30 171.96 3kno n PRO 24 N -0.72 0.00 0.00 3.89 -0.02 -1.26 -4.56 135.00 132.33 3kno n PRO 24 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3kno n PRO 24 Cb 0.64 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3kno n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 25 N 0.27 5.13 3.17 -1.23 0.00 -1.25 -4.54 105.19 106.73 3kno n GLY 25 Ca 0.00 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 3kno n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kno s ASP 26 N 1.00 4.68 0.00 1.61 3.68 -1.21 -1.58 116.67 124.84 3kno s ASP 26 Ca 0.00 -1.16 0.00 0.00 2.13 0.00 0.00 52.55 53.52 3kno s ASP 26 Cb 0.00 -1.68 0.00 0.00 -1.45 0.00 0.00 42.92 39.79 3kno s ASP 26 CO 0.00 -0.21 0.00 1.07 0.13 0.00 0.00 175.17 176.16 3kno n THR 27 N 4.62 0.00 0.00 1.71 5.66 -0.94 -2.01 114.28 123.32 3kno n THR 27 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 3kno n THR 27 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 3kno n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3kno n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.22 0.47 118.33 118.97 3kno n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kno n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kno n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kno n ARG 29 N 1.39 0.00 -0.03 5.55 3.00 -0.78 -4.34 116.66 121.44 3kno n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3kno n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3kno n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3kno n VAL 30 N -1.85 0.00 0.00 1.55 0.24 -1.26 -4.24 118.33 112.77 3kno n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kno n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kno n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3kno n SER 31 N 0.11 0.00 0.00 -1.34 3.41 0.17 -4.78 113.62 111.20 3kno n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kno n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kno n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kno n TYR 32 N 0.00 0.00 -2.58 7.33 0.18 -1.26 -4.10 117.16 116.73 3kno n TYR 32 Ca 0.00 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.73 3kno n TYR 32 Cb 0.00 0.23 -0.04 0.00 -0.38 0.00 0.00 39.34 39.14 3kno n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3kno n LYS 33 N -1.76 -4.72 -2.46 -3.48 4.76 -1.26 -3.03 118.16 106.21 3kno n LYS 33 Ca 0.00 3.53 -0.27 0.00 -2.87 0.00 0.00 58.31 58.70 3kno n LYS 33 Cb 0.00 -5.04 0.02 0.00 -1.84 0.00 0.00 35.03 28.18 3kno n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kno s VAL 34 N -0.65 3.90 0.00 -0.18 1.01 -1.26 -4.04 120.40 119.19 3kno s VAL 34 Ca -0.26 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3kno s VAL 34 Cb 0.02 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3kno s VAL 34 CO 0.71 -0.54 0.00 2.29 0.00 0.00 0.00 175.10 177.56 3kno n LYS 35 N -2.51 0.00 -0.38 2.72 2.85 -1.26 -4.99 118.16 114.60 3kno n LYS 35 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 3kno n LYS 35 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 3kno n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3kno n GLU 36 N 0.00 -0.75 0.00 -1.58 2.13 -1.26 -1.91 120.64 117.27 3kno n GLU 36 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kno n GLU 36 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3kno n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kno n GLY 37 N 0.00 1.14 3.24 8.31 0.00 -1.26 -4.87 105.19 111.75 3kno n GLY 37 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3kno n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s ASN 38 N 0.00 3.55 0.00 1.61 4.22 -0.80 -5.08 114.94 118.44 3kno s ASN 38 Ca 0.00 -0.50 0.00 0.00 -2.14 0.00 0.00 52.86 50.22 3kno s ASN 38 Cb 0.00 -1.54 0.00 0.00 1.28 0.00 0.00 41.25 40.99 3kno s ASN 38 CO 0.00 0.07 0.24 0.54 -2.04 0.00 0.00 177.10 175.91 3kno n ARG 39 N 4.14 0.00 -0.19 3.55 1.74 -1.26 -4.27 116.66 120.37 3kno n ARG 39 Ca -0.19 0.24 -0.06 0.00 -0.77 0.00 0.00 57.85 57.06 3kno n ARG 39 Cb 0.51 -0.61 -0.00 0.00 -1.02 0.00 0.00 32.46 31.35 3kno n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kno n THR 40 N -0.56 0.23 0.00 0.55 -2.24 -1.26 -4.00 114.28 107.00 3kno n THR 40 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3kno n THR 40 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kno n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kno n ARG 41 N 0.15 0.00 -2.12 -0.78 0.00 -1.17 -4.91 116.66 107.83 3kno n ARG 41 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.56 3kno n ARG 41 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.45 3kno n ARG 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3kno s ILE 42 N 0.00 3.50 -0.09 5.15 1.09 -1.26 -4.16 121.20 125.42 3kno s ILE 42 Ca 0.00 -0.30 -0.18 0.00 -1.10 0.00 0.00 60.65 59.07 3kno s ILE 42 Cb 0.00 -4.15 -0.05 0.00 -1.06 0.00 0.00 42.46 37.21 3kno s ILE 42 CO 0.00 -1.09 0.47 -1.58 -0.10 0.00 0.00 174.94 172.65 3kno s GLN 43 N 6.73 4.28 0.00 2.79 0.74 -1.26 -4.81 119.66 128.13 3kno s GLN 43 Ca 0.66 0.46 0.00 0.00 0.05 0.00 0.00 55.36 56.53 3kno s GLN 43 Cb -0.07 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3kno s GLN 43 CO 0.02 0.26 0.00 -0.25 -0.55 0.00 0.00 175.29 174.77 3kno n ASP 44 N 3.30 0.00 0.00 6.67 9.92 -1.26 -0.66 116.55 134.53 3kno n ASP 44 Ca -0.08 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.03 3kno n ASP 44 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 3kno n ASP 44 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3kno n PHE 45 N -0.29 0.00 -2.26 1.24 7.35 -1.26 -4.70 117.46 117.54 3kno n PHE 45 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3kno n PHE 45 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3kno n PHE 45 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3kno n GLU 46 N 0.00 3.51 -4.01 -4.13 4.07 -1.26 -1.87 120.64 116.94 3kno n GLU 46 Ca 0.00 -3.40 -0.27 0.00 -0.06 0.00 0.00 57.16 53.44 3kno n GLU 46 Cb 0.00 -2.98 -0.03 0.00 -0.06 0.00 0.00 31.44 28.37 3kno n GLU 46 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kno n GLY 47 N 3.02 3.15 3.43 8.31 0.00 -1.26 -4.78 105.19 117.05 3kno n GLY 47 Ca 0.41 -2.32 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 3kno n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kno s ILE 48 N -2.59 4.37 -0.64 -0.61 1.09 -1.08 -2.22 121.20 119.52 3kno s ILE 48 Ca 0.16 -0.33 -0.26 0.00 -1.10 0.00 0.00 60.65 59.12 3kno s ILE 48 Cb -0.01 -3.14 -0.09 0.00 -1.06 0.00 0.00 42.46 38.16 3kno s ILE 48 CO 0.10 0.21 2.34 0.54 -0.10 0.00 0.00 174.94 178.03 3kno s VAL 49 N 1.60 3.06 0.21 2.92 0.11 -0.61 -0.75 120.40 126.94 3kno s VAL 49 Ca 0.05 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 3kno s VAL 49 Cb -0.16 -3.14 -0.05 0.00 -1.53 0.00 0.00 36.38 31.50 3kno s VAL 49 CO 0.04 -0.14 1.53 -0.29 -3.33 0.00 0.00 175.10 172.91 3kno h ILE 50 N 7.61 1.35 -2.15 7.04 6.09 0.17 -3.35 117.51 134.26 3kno h ILE 50 Ca -0.13 -1.87 -0.04 0.00 -1.37 0.00 0.00 64.86 61.45 3kno h ILE 50 Cb 1.14 1.87 -0.22 0.00 0.47 0.00 0.00 36.82 40.08 3kno h ILE 50 CO 1.11 0.57 0.01 -0.60 -3.07 0.00 0.00 178.15 176.16 3kno s ARG 51 N -3.89 0.71 -0.39 2.19 3.00 -1.18 -1.77 118.95 117.61 3kno s ARG 51 Ca -0.06 1.01 0.02 0.00 -1.00 0.00 0.00 55.73 55.69 3kno s ARG 51 Cb 0.12 0.25 0.12 0.00 0.00 0.00 0.00 34.95 35.44 3kno s ARG 51 CO 0.82 -0.12 0.18 0.42 0.00 0.00 0.00 175.30 176.60 3kno s ILE 52 N 0.89 1.43 -0.11 4.11 1.01 -1.26 -0.14 121.20 127.13 3kno s ILE 52 Ca -0.04 -2.24 -0.19 0.00 0.00 0.00 0.00 60.65 58.17 3kno s ILE 52 Cb -0.05 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3kno s ILE 52 CO -0.08 -0.79 0.54 0.00 0.00 0.00 0.00 174.94 174.61 3kno s ARG 53 N 0.75 4.35 0.27 2.79 3.03 -0.67 -4.98 118.95 124.49 3kno s ARG 53 Ca 0.14 0.55 -0.04 0.00 2.03 0.00 0.00 55.73 58.42 3kno s ARG 53 Cb -0.22 -3.45 -0.05 0.00 -1.03 0.00 0.00 34.95 30.20 3kno s ARG 53 CO -0.08 0.11 0.52 1.03 -1.13 0.00 0.00 175.30 175.75 3kno s ARG 54 N 0.75 3.61 0.00 3.89 0.52 -1.26 -2.67 118.95 123.79 3kno s ARG 54 Ca 0.29 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 3kno s ARG 54 Cb -0.16 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.62 3kno s ARG 54 CO 0.12 0.26 0.00 -1.71 0.02 0.00 0.00 175.30 173.99 3kno n ASN 55 N -0.84 0.00 0.00 0.23 5.15 -1.26 -4.97 115.26 113.57 3kno n ASN 55 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 3kno n ASN 55 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 3kno n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kno n GLY 56 N 0.00 0.55 3.67 8.20 0.00 -1.26 -4.35 105.19 112.00 3kno n GLY 56 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 46.02 46.46 3kno n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kno s PHE 57 N 0.00 0.57 0.00 1.61 5.99 -1.26 -3.67 117.98 121.22 3kno s PHE 57 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 56.93 57.33 3kno s PHE 57 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 43.02 39.38 3kno s PHE 57 CO 0.00 -3.69 0.00 0.27 -0.00 0.00 0.00 175.22 171.80 3kno n ASN 58 N -4.59 -0.18 -4.70 6.13 0.23 -1.26 -4.83 115.26 106.06 3kno n ASN 58 Ca 0.15 0.09 -0.42 0.00 -0.53 0.00 0.00 54.58 53.87 3kno n ASN 58 Cb 0.60 -0.41 -0.03 0.00 -2.08 0.00 0.00 39.78 37.86 3kno n ASN 58 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3kno s THR 59 N -0.82 3.23 0.26 5.53 -4.23 -1.24 -4.89 115.64 113.47 3kno s THR 59 Ca 0.00 0.76 0.08 0.00 -1.18 0.00 0.00 61.69 61.35 3kno s THR 59 Cb 0.00 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 3kno s THR 59 CO 0.00 0.02 0.10 0.42 -0.54 0.00 0.00 174.62 174.63 3kno s THR 60 N 1.99 4.00 0.35 3.99 -4.23 -1.09 -3.97 115.64 116.68 3kno s THR 60 Ca 0.68 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 3kno s THR 60 Cb -0.37 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 3kno s THR 60 CO 0.30 -0.36 0.21 0.72 -0.54 0.00 0.00 174.62 174.95 3kno s PHE 61 N -2.21 1.71 -0.04 3.99 -0.00 -0.44 -1.66 117.98 119.33 3kno s PHE 61 Ca 0.32 -1.49 -0.10 0.00 -0.00 0.00 0.00 56.93 55.66 3kno s PHE 61 Cb -0.07 -0.87 0.02 0.00 -0.00 0.00 0.00 43.02 42.09 3kno s PHE 61 CO 0.23 -0.63 0.24 0.95 -0.00 0.00 0.00 175.22 176.01 3kno s THR 62 N -3.43 0.05 -0.01 -4.49 -4.23 0.80 -1.26 115.64 103.06 3kno s THR 62 Ca 0.34 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.53 3kno s THR 62 Cb 0.03 -0.47 -0.02 0.00 1.34 0.00 0.00 72.50 73.38 3kno s THR 62 CO 0.21 -0.21 -0.21 0.68 -0.54 0.00 0.00 174.62 174.56 3kno s VAL 63 N -0.85 1.63 -0.30 2.29 -7.23 -0.54 0.85 120.40 116.24 3kno s VAL 63 Ca -0.09 -0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 3kno s VAL 63 Cb -0.05 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.54 3kno s VAL 63 CO 0.02 0.43 0.10 -0.60 -0.31 0.00 0.00 175.10 174.74 3kno s ARG 64 N -0.56 3.12 -0.12 4.82 3.52 0.07 -1.20 118.95 128.59 3kno s ARG 64 Ca 0.08 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 3kno s ARG 64 Cb -0.08 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3kno s ARG 64 CO -0.00 -0.45 -0.10 0.21 -0.81 0.00 0.00 175.30 174.14 3kno s LYS 65 N 1.52 1.77 -0.99 5.12 2.47 0.74 -2.63 119.74 127.74 3kno s LYS 65 Ca 0.03 -0.35 -0.22 0.00 -1.56 0.00 0.00 55.97 53.86 3kno s LYS 65 Cb -0.17 -1.73 0.07 0.00 -1.46 0.00 0.00 37.83 34.54 3kno s LYS 65 CO 0.03 -0.23 1.36 0.08 0.16 0.00 0.00 175.35 176.76 3kno s VAL 66 N 1.56 4.13 -0.77 4.02 1.01 -1.26 0.16 120.40 129.24 3kno s VAL 66 Ca 0.03 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 3kno s VAL 66 Cb -0.13 -4.99 0.12 0.00 0.00 0.00 0.00 36.38 31.39 3kno s VAL 66 CO -0.08 -1.83 0.93 -0.55 0.00 0.00 0.00 175.10 173.57 3kno s SER 67 N 4.62 6.44 1.45 3.32 0.15 -0.12 -4.91 113.70 124.66 3kno s SER 67 Ca 0.42 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 55.29 3kno s SER 67 Cb -0.01 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 3kno s SER 67 CO -0.10 -1.08 0.00 -1.22 1.20 0.00 0.00 173.24 172.05 3kno n TYR 68 N 6.34 0.00 0.05 3.44 0.53 -1.26 -3.82 117.16 122.43 3kno n TYR 68 Ca 0.08 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.94 3kno n TYR 68 Cb 0.46 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.76 3kno n TYR 68 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3kno h GLY 69 N 0.00 -0.14 -1.48 2.72 0.00 -2.01 -3.46 103.07 98.71 3kno h GLY 69 Ca 0.00 0.05 -0.50 0.00 0.00 0.00 0.00 47.33 46.88 3kno h GLY 69 CO 0.00 -0.05 0.39 0.14 0.00 0.00 0.00 176.54 177.02 3kno s VAL 70 N -2.98 4.30 -0.17 4.60 1.01 -1.25 -5.06 120.40 120.85 3kno s VAL 70 Ca -0.02 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 62.75 3kno s VAL 70 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3kno s VAL 70 CO 0.06 -0.87 0.05 -0.83 0.00 0.00 0.00 175.10 173.51 3kno s GLY 71 N -3.64 1.89 -0.03 4.51 0.00 -1.26 -0.94 107.32 107.85 3kno s GLY 71 Ca 0.58 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.62 3kno s GLY 71 CO 0.48 -0.02 -0.24 0.14 0.00 0.00 0.00 173.10 173.46 3kno s VAL 72 N 0.22 1.88 -0.13 1.40 1.01 0.42 -4.91 120.40 120.29 3kno s VAL 72 Ca 0.03 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 3kno s VAL 72 Cb -0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3kno s VAL 72 CO 0.01 0.53 -0.13 -1.61 0.00 0.00 0.00 175.10 173.89 3kno s GLU 73 N -0.47 3.37 0.06 2.72 2.02 -1.25 -0.18 118.70 124.97 3kno s GLU 73 Ca 0.07 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.40 3kno s GLU 73 Cb -0.10 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 3kno s GLU 73 CO -0.00 0.22 0.01 1.03 0.02 0.00 0.00 175.26 176.54 3kno s ARG 74 N 0.33 2.65 -0.26 1.61 1.81 -0.34 -4.90 118.95 119.85 3kno s ARG 74 Ca -0.11 -0.75 0.03 0.00 -1.72 0.00 0.00 55.73 53.18 3kno s ARG 74 Cb -0.16 -2.60 0.06 0.00 -0.45 0.00 0.00 34.95 31.80 3kno s ARG 74 CO 0.06 0.57 -0.10 0.42 -0.68 0.00 0.00 175.30 175.56 3kno s ILE 75 N -1.24 2.13 -0.13 1.52 1.01 -1.26 -1.47 121.20 121.76 3kno s ILE 75 Ca 0.24 -1.62 -0.02 0.00 0.00 0.00 0.00 60.65 59.25 3kno s ILE 75 Cb -0.12 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3kno s ILE 75 CO 0.16 -0.04 -0.08 -0.36 0.00 0.00 0.00 174.94 174.62 3kno s PHE 76 N 1.12 2.93 -1.06 3.97 0.40 -0.39 -4.92 117.98 120.02 3kno s PHE 76 Ca -0.09 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3kno s PHE 76 Cb -0.20 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.46 3kno s PHE 76 CO -0.05 -0.02 0.96 -2.30 0.70 0.00 0.00 175.22 174.51 3kno n PRO 77 N 3.26 0.00 -0.57 0.24 -0.02 -1.26 -1.33 135.00 135.32 3kno n PRO 77 Ca -0.18 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3kno n PRO 77 Cb 0.53 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3kno n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kno n LEU 78 N -1.46 0.07 -4.13 2.45 0.00 -1.25 -4.09 117.00 108.59 3kno n LEU 78 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 3kno n LEU 78 Cb 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 43.42 43.19 3kno n LEU 78 CO 0.00 -0.04 -0.39 -1.00 0.00 0.00 0.00 177.39 175.96 3kno s HIS 79 N -3.29 0.82 0.00 1.96 3.76 -1.26 -4.86 115.29 112.42 3kno s HIS 79 Ca 0.00 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 3kno s HIS 79 Cb 0.00 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.21 3kno s HIS 79 CO 0.00 -0.11 0.00 0.45 -0.85 0.00 0.00 174.74 174.23 3kno n SER 80 N 0.58 0.00 -4.55 1.40 2.88 -1.26 -4.83 113.62 107.84 3kno n SER 80 Ca -0.17 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.06 3kno n SER 80 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 3kno n SER 80 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3kno s PRO 81 N 0.00 2.24 0.00 -1.46 0.02 -1.26 -4.43 135.00 130.10 3kno s PRO 81 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 61.00 61.78 3kno s PRO 81 Cb 0.00 -4.63 0.00 0.00 0.02 0.00 0.00 34.50 29.89 3kno s PRO 81 CO 0.00 -3.33 0.45 1.28 -0.33 0.00 0.00 177.00 175.07 3kno n LEU 82 N 15.16 -0.41 0.00 -5.54 4.32 -1.26 -4.38 117.00 124.89 3kno n LEU 82 Ca 0.34 -0.91 0.00 0.00 -0.02 0.00 0.00 56.01 55.42 3kno n LEU 82 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 3kno n LEU 82 CO 0.67 0.95 0.00 2.30 -1.22 0.00 0.00 177.39 180.09 3kno n ILE 83 N 0.00 0.00 -0.68 -0.08 -5.35 -1.26 -4.32 119.36 107.67 3kno n ILE 83 Ca -0.11 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.09 3kno n ILE 83 Cb 0.43 0.00 0.24 0.00 -1.74 0.00 0.00 39.64 38.58 3kno n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kno n GLN 84 N 0.00 -3.61 -0.07 6.28 10.64 -1.26 -4.93 117.38 124.43 3kno n GLN 84 Ca 0.00 -1.47 0.00 0.00 -1.83 0.00 0.00 57.00 53.70 3kno n GLN 84 Cb 0.00 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 27.81 3kno n GLN 84 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3kno n LYS 85 N -4.88 0.00 -0.95 2.61 5.02 -1.26 -4.33 118.16 114.37 3kno n LYS 85 Ca 0.13 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.11 3kno n LYS 85 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.54 3kno n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3kno n ILE 86 N 0.00 0.75 -3.50 -0.18 3.06 -1.26 -4.67 119.36 113.56 3kno n ILE 86 Ca 0.00 -0.36 -0.37 0.00 -2.50 0.00 0.00 62.75 59.52 3kno n ILE 86 Cb 0.20 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.31 3kno n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3kno s ASP 87 N -0.71 6.59 0.00 9.51 -4.77 -1.26 -4.38 116.67 121.64 3kno s ASP 87 Ca 0.43 0.69 0.00 0.00 -3.30 0.00 0.00 52.55 50.38 3kno s ASP 87 Cb -0.52 -2.22 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 3kno s ASP 87 CO 0.43 0.16 0.00 -0.38 0.70 0.00 0.00 175.17 176.08 3kno n ILE 88 N 3.03 0.00 -3.87 2.11 5.41 0.18 -4.80 119.36 121.41 3kno n ILE 88 Ca -0.12 0.33 -0.29 0.00 1.00 0.00 0.00 62.75 63.67 3kno n ILE 88 Cb 0.52 -1.20 -0.16 0.00 -0.71 0.00 0.00 39.64 38.09 3kno n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3kno s VAL 89 N 0.00 1.10 -1.05 1.39 1.01 -0.85 -5.01 120.40 116.98 3kno s VAL 89 Ca 0.00 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 3kno s VAL 89 Cb 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 3kno s VAL 89 CO 0.00 -0.05 1.99 -1.10 0.00 0.00 0.00 175.10 175.94 3kno s GLN 90 N 1.61 2.33 0.00 2.72 -0.21 -1.26 -3.36 119.66 121.50 3kno s GLN 90 Ca -0.02 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.66 3kno s GLN 90 Cb -0.17 -5.13 0.00 0.00 1.00 0.00 0.00 33.01 28.71 3kno s GLN 90 CO -0.07 -3.95 0.00 0.54 -2.12 0.00 0.00 175.29 169.69 3kno n ARG 91 N 8.50 2.49 0.00 2.91 1.74 -1.26 -4.24 116.66 126.80 3kno n ARG 91 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3kno n ARG 91 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 3kno n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kno n GLY 92 N 3.12 2.41 3.79 -0.13 0.00 -1.16 -4.15 105.19 109.06 3kno n GLY 92 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3kno n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kno n ARG 93 N 0.00 -5.00 -1.71 1.61 0.63 -1.26 -1.96 116.66 108.97 3kno n ARG 93 Ca 0.00 0.60 -0.43 0.00 -0.92 0.00 0.00 57.85 57.10 3kno n ARG 93 Cb 0.00 -5.23 -0.01 0.00 0.45 0.00 0.00 32.46 27.67 3kno n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kno n ALA 94 N -4.42 1.54 -1.22 5.13 0.00 -1.26 -4.82 120.51 115.45 3kno n ALA 94 Ca -0.19 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 3kno n ALA 94 Cb 0.63 -2.30 0.23 0.00 0.00 0.00 0.00 19.45 18.01 3kno n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kno n ARG 95 N 0.89 2.61 -3.48 0.00 5.12 -1.26 -4.95 116.66 115.59 3kno n ARG 95 Ca 0.05 -3.07 -0.14 0.00 -1.93 0.00 0.00 57.85 52.76 3kno n ARG 95 Cb 0.36 -2.04 -0.04 0.00 -1.16 0.00 0.00 32.46 29.58 3kno n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3kno s ARG 96 N -3.15 1.10 0.00 5.56 1.70 -1.26 -5.12 118.95 117.78 3kno s ARG 96 Ca 0.51 -0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.65 3kno s ARG 96 Cb 0.43 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 35.32 3kno s ARG 96 CO 0.08 -0.42 0.00 0.00 -1.08 0.00 0.00 175.30 173.87 3kno n ALA 97 N 0.23 0.00 -2.53 7.88 0.00 -1.26 -4.64 120.51 120.19 3kno n ALA 97 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3kno n ALA 97 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3kno n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kno s LYS 98 N 0.00 4.42 -0.48 0.00 3.01 -1.26 -4.77 119.74 120.65 3kno s LYS 98 Ca 0.00 1.61 0.08 0.00 -1.01 0.00 0.00 55.97 56.65 3kno s LYS 98 Cb 0.00 -3.48 0.31 0.00 -1.01 0.00 0.00 37.83 33.65 3kno s LYS 98 CO 0.00 -0.30 0.75 1.47 0.51 0.00 0.00 175.35 177.78 3kno n LEU 99 N 4.59 2.28 0.00 3.17 -0.00 -0.73 -4.86 117.00 121.44 3kno n LEU 99 Ca 0.09 -5.21 0.10 0.00 -0.00 0.00 0.00 56.01 50.98 3kno n LEU 99 Cb 0.47 0.08 0.52 0.00 -0.00 0.00 0.00 43.42 44.49 3kno n LEU 99 CO 0.54 2.22 0.80 -1.22 -0.00 0.00 0.00 177.39 179.73 3kno n TYR 100 N 0.49 0.00 0.00 1.47 4.02 -1.26 -3.66 117.16 118.21 3kno n TYR 100 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.16 3kno n TYR 100 Cb 0.51 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3kno n TYR 100 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 3kno n PHE 101 N -1.24 0.00 0.48 -0.72 -1.74 -1.26 -0.77 117.46 112.21 3kno n PHE 101 Ca 0.10 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.11 3kno n PHE 101 Cb 0.14 -0.14 0.13 0.00 1.52 0.00 0.00 39.48 41.14 3kno n PHE 101 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 3kno h ILE 102 N 0.00 0.00 0.00 1.97 3.07 -1.86 -3.17 117.51 117.52 3kno h ILE 102 Ca 0.00 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.82 3kno h ILE 102 Cb 0.07 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 3kno h ILE 102 CO 0.00 0.00 0.07 0.54 -1.05 0.00 0.00 178.15 177.71 3kno n ARG 103 N -2.23 0.00 0.05 0.16 1.74 0.05 -2.49 116.66 113.93 3kno n ARG 103 Ca 0.03 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3kno n ARG 103 Cb 0.46 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3kno n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kno n ASN 104 N -1.13 0.23 -2.45 0.55 3.02 -1.24 -4.77 115.26 109.46 3kno n ASN 104 Ca 0.00 0.16 -0.07 0.00 -0.03 0.00 0.00 54.58 54.64 3kno n ASN 104 Cb 0.07 0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 3kno n ASN 104 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kno n LEU 105 N -2.99 2.40 -4.70 3.41 4.77 -1.20 -4.73 117.00 113.97 3kno n LEU 105 Ca 0.00 -1.73 -0.35 0.00 -0.03 0.00 0.00 56.01 53.90 3kno n LEU 105 Cb 0.00 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.36 3kno n LEU 105 CO 0.00 0.34 -0.29 -0.94 -1.33 0.00 0.00 177.39 175.18 3kno s SER 106 N 2.82 5.40 0.00 -1.43 1.04 -1.04 -2.89 113.70 117.59 3kno s SER 106 Ca 0.28 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.88 3kno s SER 106 Cb 0.12 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.64 3kno s SER 106 CO -0.00 0.36 0.00 -0.90 0.98 0.00 0.00 173.24 173.68 3kno n ASP 107 N 2.28 0.00 0.00 7.02 3.85 -1.26 -4.79 116.55 123.65 3kno n ASP 107 Ca -0.19 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.89 3kno n ASP 107 Cb 0.54 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 3kno n ASP 107 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3kno n ARG 108 N 0.00 0.13 -0.11 0.11 -4.01 -1.26 -4.46 116.66 107.06 3kno n ARG 108 Ca 0.00 -0.71 -0.13 0.00 -1.04 0.00 0.00 57.85 55.97 3kno n ARG 108 Cb 0.00 -0.94 -0.14 0.00 -3.04 0.00 0.00 32.46 28.34 3kno n ARG 108 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 3kno n GLU 109 N -0.13 0.71 -0.04 2.89 1.02 -1.26 -3.28 120.64 120.55 3kno n GLU 109 Ca 0.00 0.05 0.10 0.00 -0.02 0.00 0.00 57.16 57.29 3kno n GLU 109 Cb 0.10 -1.51 0.50 0.00 -0.02 0.00 0.00 31.44 30.51 3kno n GLU 109 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3kno h ILE 110 N 0.00 0.95 -0.02 -3.67 2.10 -1.75 0.52 117.51 115.64 3kno h ILE 110 Ca -0.55 -0.14 -0.25 0.00 1.08 0.00 0.00 64.86 65.00 3kno h ILE 110 Cb 2.09 0.51 0.01 0.00 -1.09 0.00 0.00 36.82 38.34 3kno h ILE 110 CO -0.02 0.07 -0.97 0.03 -1.08 0.00 0.00 178.15 176.18 3kno h ARG 111 N 0.40 0.63 0.00 2.19 3.08 -1.79 0.34 114.38 119.23 3kno h ARG 111 Ca 0.23 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3kno h ARG 111 Cb 0.38 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3kno h ARG 111 CO -0.06 1.25 0.00 -2.13 -1.07 0.00 0.00 179.97 177.96 3kno n ARG 112 N -3.83 0.99 -0.01 0.04 0.63 0.11 -3.21 116.66 111.39 3kno n ARG 112 Ca -0.09 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.83 3kno n ARG 112 Cb 0.85 -1.29 -0.01 0.00 0.45 0.00 0.00 32.46 32.46 3kno n ARG 112 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3kno n LYS 113 N -0.79 1.34 -3.00 -0.14 3.00 0.14 -4.76 118.16 113.95 3kno n LYS 113 Ca 0.14 0.01 -0.44 0.00 -0.00 0.00 0.00 58.31 58.01 3kno n LYS 113 Cb 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.07 3kno n LYS 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3kno n LEU 114 N -2.37 5.98 0.00 3.14 4.77 0.10 -4.87 117.00 123.75 3kno n LEU 114 Ca -0.03 -4.95 0.00 0.00 -0.03 0.00 0.00 56.01 51.00 3kno n LEU 114 Cb 0.53 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 3kno n LEU 114 CO 0.02 1.38 0.00 0.54 -1.33 0.00 0.00 177.39 178.00 3kno n ARG 115 N 2.83 0.20 -3.12 3.23 5.12 -0.83 -4.13 116.66 119.95 3kno n ARG 115 Ca 0.29 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.08 3kno n ARG 115 Cb 0.37 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.63 3kno n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kno s ALA 116 N -2.84 -0.73 -0.43 7.54 0.00 -1.26 -2.99 121.76 121.05 3kno s ALA 116 Ca 0.00 -1.09 -0.38 0.00 0.00 0.00 0.00 51.96 50.49 3kno s ALA 116 Cb 0.00 -2.24 -0.16 0.00 0.00 0.00 0.00 23.12 20.71 3kno s ALA 116 CO 0.00 -2.14 1.78 -3.47 0.00 0.00 0.00 175.76 171.93 3kno n ASP 117 N 3.32 0.68 0.11 0.00 -0.08 -1.26 -4.69 116.55 114.64 3kno n ASP 117 Ca 0.19 0.63 -0.23 0.00 -1.51 0.00 0.00 54.79 53.87 3kno n ASP 117 Cb 0.51 -0.77 -0.15 0.00 2.34 0.00 0.00 41.12 43.05 3kno n ASP 117 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3kno h ARG 118 N 7.34 0.46 0.00 -0.67 2.47 -1.96 -3.30 114.38 118.72 3kno h ARG 118 Ca -0.12 -0.78 0.00 0.00 -1.26 0.00 0.00 59.98 57.82 3kno h ARG 118 Cb 1.21 0.29 0.00 0.00 -1.65 0.00 0.00 29.97 29.82 3kno h ARG 118 CO 0.92 1.38 0.00 1.63 0.56 0.00 0.00 179.97 184.46 3kno n LYS 119 N -3.84 0.00 0.20 0.04 5.02 -1.26 -0.23 118.16 118.09 3kno n LYS 119 Ca -0.17 0.41 0.02 0.00 -2.02 0.00 0.00 58.31 56.55 3kno n LYS 119 Cb 1.02 -1.22 0.09 0.00 -0.02 0.00 0.00 35.03 34.89 3kno n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kno h ARG 120 N 0.00 0.00 0.04 1.97 3.08 -1.86 0.52 114.38 118.13 3kno h ARG 120 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 3kno h ARG 120 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3kno h ARG 120 CO 0.00 0.00 -1.56 -0.89 -1.07 0.00 0.00 179.97 176.45 3kno n ILE 121 N -1.98 1.61 0.04 2.04 2.08 -0.59 -4.25 119.36 118.30 3kno n ILE 121 Ca -0.00 -0.24 -0.06 0.00 0.56 0.00 0.00 62.75 63.01 3kno n ILE 121 Cb 0.71 -1.94 0.03 0.00 -0.75 0.00 0.00 39.64 37.70 3kno n ILE 121 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3kno n ASP 122 N -4.13 4.23 -1.44 4.38 9.92 0.18 -3.07 116.55 126.62 3kno n ASP 122 Ca -0.33 -2.50 -0.01 0.00 -0.53 0.00 0.00 54.79 51.41 3kno n ASP 122 Cb 0.81 -0.78 -0.01 0.00 -0.64 0.00 0.00 41.12 40.50 3kno n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kno n GLN 123 N 0.46 0.19 0.00 -1.24 10.64 -1.14 -4.68 117.38 121.60 3kno n GLN 123 Ca 0.14 -1.63 0.00 0.00 -1.83 0.00 0.00 57.00 53.68 3kno n GLN 123 Cb 0.67 0.13 0.00 0.00 -0.86 0.00 0.00 30.24 30.19 3kno n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3kno n ASP 124 N 0.10 0.30 0.03 2.61 9.92 -1.17 -3.52 116.55 124.82 3kno n ASP 124 Ca -0.10 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.29 3kno n ASP 124 Cb 0.92 0.05 0.51 0.00 -0.64 0.00 0.00 41.12 41.97 3kno n ASP 124 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kno n ARG 125 N -0.22 0.07 -0.02 -1.24 5.12 -1.21 -3.15 116.66 116.01 3kno n ARG 125 Ca 0.00 0.11 -0.02 0.00 -1.93 0.00 0.00 57.85 56.01 3kno n ARG 125 Cb 0.01 -1.59 -0.03 0.00 -1.16 0.00 0.00 32.46 29.69 3kno n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kno n ALA 126 N -1.58 1.90 0.65 7.54 0.00 -1.26 -4.56 120.51 123.21 3kno n ALA 126 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3kno n ALA 126 Cb 0.32 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3kno n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n ALA 127 N -2.30 2.05 -0.40 0.00 0.00 -1.19 -4.05 120.51 114.62 3kno n ALA 127 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 3kno n ALA 127 Cb 0.62 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 19.14 3kno n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3kno n GLU 128 N 0.36 1.69 -0.78 0.00 -0.00 -1.22 -4.87 120.64 115.82 3kno n GLU 128 Ca 0.00 -1.52 -0.39 0.00 -0.00 0.00 0.00 57.16 55.24 3kno n GLU 128 Cb 0.22 -1.60 -0.11 0.00 -0.00 0.00 0.00 31.44 29.96 3kno n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3kno n ARG 129 N -0.07 0.21 -0.25 3.44 3.00 -1.26 -4.18 116.66 117.54 3kno n ARG 129 Ca 0.30 -1.23 0.07 0.00 -0.00 0.00 0.00 57.85 56.98 3kno n ARG 129 Cb 0.89 -2.81 0.18 0.00 0.00 0.00 0.00 32.46 30.72 3kno n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kno n ALA 130 N 10.76 2.53 -1.68 5.13 0.00 -1.26 -5.02 120.51 130.98 3kno n ALA 130 Ca 0.46 -1.93 -0.48 0.00 0.00 0.00 0.00 53.44 51.50 3kno n ALA 130 Cb 0.43 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 3kno n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n ALA 131 N -0.44 0.95 -1.37 0.00 0.00 -1.26 -4.78 120.51 113.61 3kno n ALA 131 Ca 0.15 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.73 3kno n ALA 131 Cb 0.65 -2.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.56 3kno n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 132 N 5.38 0.16 0.00 0.00 5.02 -1.26 -4.72 118.16 122.73 3kno n LYS 132 Ca 0.21 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 3kno n LYS 132 Cb 0.28 -3.63 0.00 0.00 -0.02 0.00 0.00 35.03 31.67 3kno n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3kno n GLU 133 N 8.10 0.37 -4.18 1.97 4.07 -1.26 -4.60 120.64 125.10 3kno n GLU 133 Ca 0.43 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 57.29 3kno n GLU 133 Cb 0.46 -1.24 -0.06 0.00 -0.06 0.00 0.00 31.44 30.54 3kno n GLU 133 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3kno n GLU 134 N 0.52 0.71 0.00 5.31 4.07 -1.26 -4.61 120.64 125.37 3kno n GLU 134 Ca 0.00 -3.10 0.00 0.00 -0.06 0.00 0.00 57.16 54.00 3kno n GLU 134 Cb 0.13 1.43 0.00 0.00 -0.06 0.00 0.00 31.44 32.94 3kno n GLU 134 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kno n ALA 135 N -1.38 0.00 -1.11 4.31 0.00 -1.26 -4.71 120.51 116.36 3kno n ALA 135 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3kno n ALA 135 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3kno n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kno n GLN 136 N 0.00 0.00 -1.42 0.00 -0.06 -1.26 -4.73 117.38 109.91 3kno n GLN 136 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.89 3kno n GLN 136 Cb 0.00 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.09 3kno n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3kno n LYS 137 N 0.00 0.16 0.00 3.69 4.76 -1.26 -5.15 118.16 120.36 3kno n LYS 137 Ca 0.00 -0.84 0.00 0.00 -2.87 0.00 0.00 58.31 54.60 3kno n LYS 137 Cb 0.00 -2.73 0.00 0.00 -1.84 0.00 0.00 35.03 30.46 3kno n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03