#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn n ARG 3 N 0.00 2.07 0.00 0.00 1.74 -1.26 -4.54 116.66 114.67 3knn n ARG 3 Ca 0.00 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 3knn n ARG 3 Cb 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 3knn n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3knn n ILE 4 N 1.98 0.00 -0.81 0.55 5.41 -1.24 -4.99 119.36 120.26 3knn n ILE 4 Ca 0.12 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.58 3knn n ILE 4 Cb 0.32 0.00 0.21 0.00 -0.71 0.00 0.00 39.64 39.46 3knn n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3knn s ALA 5 N -2.00 0.33 0.00 -1.39 0.00 -1.26 -4.32 121.76 113.11 3knn s ALA 5 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3knn s ALA 5 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3knn s ALA 5 CO 0.00 -3.30 0.00 0.41 0.00 0.00 0.00 175.76 172.87 3knn n GLY 6 N -0.01 0.55 0.00 0.00 0.00 -1.26 -3.13 105.19 101.34 3knn n GLY 6 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3knn n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knn n VAL 7 N 0.00 0.00 -1.26 1.61 0.31 -1.26 -5.12 118.33 112.62 3knn n VAL 7 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.84 3knn n VAL 7 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 3knn n VAL 7 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knn n GLU 8 N 0.00 0.00 -3.63 5.55 1.02 -1.18 -4.27 120.64 118.12 3knn n GLU 8 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 3knn n GLU 8 Cb 0.00 -1.08 -0.07 0.00 -0.02 0.00 0.00 31.44 30.27 3knn n GLU 8 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3knn s ILE 9 N 2.14 4.21 0.72 -3.67 1.01 -1.26 -3.59 121.20 120.76 3knn s ILE 9 Ca 0.75 -3.17 -0.14 0.00 0.00 0.00 0.00 60.65 58.09 3knn s ILE 9 Cb -1.08 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 37.75 3knn s ILE 9 CO 0.59 -0.97 1.15 -2.16 0.00 0.00 0.00 174.94 173.56 3knn s PRO 10 N -0.43 2.33 0.30 2.79 0.04 -1.26 -4.98 135.00 133.80 3knn s PRO 10 Ca 0.20 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 3knn s PRO 10 Cb -0.15 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3knn s PRO 10 CO -0.07 -1.64 0.42 0.54 0.04 0.00 0.00 177.00 176.29 3knn n ARG 11 N -2.77 0.61 0.00 4.56 1.74 -1.26 -4.87 116.66 114.66 3knn n ARG 11 Ca 0.12 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 3knn n ARG 11 Cb 0.51 2.34 0.00 0.00 -1.02 0.00 0.00 32.46 34.29 3knn n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3knn n ASN 12 N -1.69 0.00 -3.85 0.55 3.02 -1.26 -4.70 115.26 107.33 3knn n ASN 12 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 3knn n ASN 12 Cb 0.51 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.51 3knn n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3knn s LYS 13 N 0.00 1.17 0.00 3.52 1.02 -1.26 -4.71 119.74 119.47 3knn s LYS 13 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3knn s LYS 13 Cb 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.91 3knn s LYS 13 CO 0.00 -0.30 0.00 2.89 -0.92 0.00 0.00 175.35 177.02 3knn n ARG 14 N 5.02 0.00 -0.40 1.68 1.85 -1.26 -3.99 116.66 119.55 3knn n ARG 14 Ca -0.10 0.00 0.36 0.00 -1.00 0.00 0.00 57.85 57.11 3knn n ARG 14 Cb 0.50 0.00 0.71 0.00 -1.05 0.00 0.00 32.46 32.62 3knn n ARG 14 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 3knn h VAL 15 N 0.00 0.32 0.00 8.89 -1.51 -1.63 -1.83 116.25 120.50 3knn h VAL 15 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 3knn h VAL 15 Cb 0.00 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.40 3knn h VAL 15 CO 0.00 0.01 0.00 -0.90 -1.23 0.00 0.00 177.57 175.45 3knn n ASP 16 N -4.28 0.00 0.00 4.19 3.85 -1.26 -1.71 116.55 117.34 3knn n ASP 16 Ca 0.30 -0.20 0.00 0.00 -0.71 0.00 0.00 54.79 54.18 3knn n ASP 16 Cb 1.34 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.11 3knn n ASP 16 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3knn n VAL 17 N -0.96 0.00 -0.28 2.12 0.31 -0.71 -4.76 118.33 114.06 3knn n VAL 17 Ca 0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.35 3knn n VAL 17 Cb 0.02 -0.33 0.10 0.00 -0.91 0.00 0.00 33.84 32.71 3knn n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knn h ALA 18 N 0.00 1.02 -0.64 3.52 0.00 -1.26 -2.30 119.26 119.59 3knn h ALA 18 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.01 3knn h ALA 18 Cb 0.54 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3knn h ALA 18 CO 0.00 0.28 0.14 -0.07 0.00 0.00 0.00 179.25 179.60 3knn h LEU 19 N 0.95 0.00 -1.20 0.00 -0.00 -1.63 -1.83 115.31 111.60 3knn h LEU 19 Ca 0.31 0.12 0.17 0.00 -0.00 0.00 0.00 57.88 58.49 3knn h LEU 19 Cb 0.03 0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 40.77 3knn h LEU 19 CO -0.12 -0.00 0.60 0.74 -0.00 0.00 0.00 178.44 179.66 3knn h THR 20 N 0.26 0.77 0.00 0.22 2.02 -1.57 -1.22 112.91 113.39 3knn h THR 20 Ca 0.34 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3knn h THR 20 Cb 0.53 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3knn h THR 20 CO -0.44 0.13 0.02 -1.22 0.37 0.00 0.00 175.52 174.38 3knn n TYR 21 N -4.63 0.00 -3.82 3.16 0.53 -0.69 -4.39 117.16 107.33 3knn n TYR 21 Ca 0.20 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.74 3knn n TYR 21 Cb 0.54 -0.04 -0.05 0.00 -1.03 0.00 0.00 39.34 38.76 3knn n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3knn s ILE 22 N -1.79 5.35 -0.46 -0.72 1.01 -0.46 -5.03 121.20 119.10 3knn s ILE 22 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.38 3knn s ILE 22 Cb 0.00 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.94 3knn s ILE 22 CO 0.00 0.32 1.04 -0.47 0.00 0.00 0.00 174.94 175.84 3knn s TYR 23 N -1.34 2.89 0.00 3.97 6.14 -1.26 -2.76 117.35 124.99 3knn s TYR 23 Ca 0.28 0.62 0.00 0.00 0.64 0.00 0.00 57.07 58.62 3knn s TYR 23 Cb -0.13 -4.18 0.00 0.00 0.42 0.00 0.00 41.96 38.07 3knn s TYR 23 CO 0.18 -1.15 0.00 0.41 0.64 0.00 0.00 175.55 175.63 3knn n GLY 24 N 4.80 1.05 3.24 8.97 0.00 -1.26 0.04 105.19 122.03 3knn n GLY 24 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3knn n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knn s ILE 25 N -2.00 2.25 0.00 -0.61 1.09 -1.11 -4.93 121.20 115.89 3knn s ILE 25 Ca 0.00 -0.94 0.00 0.00 -1.10 0.00 0.00 60.65 58.61 3knn s ILE 25 Cb 0.00 -1.89 0.00 0.00 -1.06 0.00 0.00 42.46 39.51 3knn s ILE 25 CO 0.00 0.55 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 3knn n GLY 26 N 3.65 5.12 0.12 6.18 0.00 -1.26 -4.27 105.19 114.73 3knn n GLY 26 Ca -0.19 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.16 3knn n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3knn h LYS 27 N 0.00 0.00 0.00 1.61 1.63 -1.96 -3.29 116.57 114.56 3knn h LYS 27 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3knn h LYS 27 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3knn h LYS 27 CO 0.00 0.47 0.00 0.00 -3.45 0.00 0.00 179.45 176.47 3knn n ALA 28 N -2.30 0.00 -0.26 5.00 0.00 -1.26 -3.41 120.51 118.29 3knn n ALA 28 Ca -0.02 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.71 3knn n ALA 28 Cb 0.79 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.69 3knn n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knn n ARG 29 N -0.49 0.01 0.18 0.00 1.74 -1.26 0.06 116.66 116.90 3knn n ARG 29 Ca 0.00 0.95 -0.08 0.00 -0.77 0.00 0.00 57.85 57.96 3knn n ARG 29 Cb 0.00 -2.34 -0.04 0.00 -1.02 0.00 0.00 32.46 29.06 3knn n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knn h ALA 30 N 0.54 -0.69 0.00 7.54 0.00 -1.72 -2.84 119.26 122.09 3knn h ALA 30 Ca 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3knn h ALA 30 Cb 2.83 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.81 3knn h ALA 30 CO -0.01 -0.65 0.00 1.63 0.00 0.00 0.00 179.25 180.22 3knn n LYS 31 N -4.11 0.08 0.01 0.00 5.02 0.11 -0.68 118.16 118.59 3knn n LYS 31 Ca -0.06 0.25 -0.07 0.00 -2.02 0.00 0.00 58.31 56.41 3knn n LYS 31 Cb 0.19 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 3knn n LYS 31 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3knn h GLU 32 N 0.00 0.00 0.00 1.97 4.81 -1.41 -3.15 114.58 116.80 3knn h GLU 32 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3knn h GLU 32 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3knn h GLU 32 CO 0.00 0.58 -0.47 0.00 -0.73 0.00 0.00 179.01 178.39 3knn n ALA 33 N -2.47 3.26 1.13 2.92 0.00 0.14 -1.72 120.51 123.76 3knn n ALA 33 Ca -0.11 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.16 3knn n ALA 33 Cb 0.98 -1.18 0.28 0.00 0.00 0.00 0.00 19.45 19.54 3knn n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knn n LEU 34 N -1.64 0.89 -0.04 0.00 4.77 -0.65 -3.54 117.00 116.79 3knn n LEU 34 Ca 0.05 -0.21 -0.07 0.00 -0.03 0.00 0.00 56.01 55.75 3knn n LEU 34 Cb 0.36 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3knn n LEU 34 CO 0.34 0.18 -0.77 -1.84 -1.33 0.00 0.00 177.39 173.97 3knn n GLU 35 N -0.97 0.19 0.13 3.23 0.28 -1.19 -2.29 120.64 120.02 3knn n GLU 35 Ca 0.09 0.06 0.10 0.00 -0.16 0.00 0.00 57.16 57.26 3knn n GLU 35 Cb 0.35 -0.97 0.50 0.00 1.43 0.00 0.00 31.44 32.75 3knn n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3knn n LYS 36 N -3.06 0.14 -0.18 3.44 4.76 -0.70 -0.89 118.16 121.67 3knn n LYS 36 Ca -0.15 0.55 0.02 0.00 -2.87 0.00 0.00 58.31 55.86 3knn n LYS 36 Cb 0.63 -1.88 0.03 0.00 -1.84 0.00 0.00 35.03 31.98 3knn n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3knn n THR 37 N -2.16 0.65 -1.00 -0.18 -2.24 -1.23 -5.06 114.28 103.05 3knn n THR 37 Ca -0.00 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3knn n THR 37 Cb 0.09 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3knn n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knn n GLY 38 N -0.45 0.00 2.97 3.38 0.00 -0.07 -4.94 105.19 106.09 3knn n GLY 38 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 3knn n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knn s ILE 39 N 0.00 -0.71 -0.76 -0.61 1.01 -0.97 -4.98 121.20 114.17 3knn s ILE 39 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 3knn s ILE 39 Cb 0.00 -0.86 -0.19 0.00 0.01 0.00 0.00 42.46 41.42 3knn s ILE 39 CO 0.00 -0.23 2.23 -3.20 0.00 0.00 0.00 174.94 173.74 3knn n ASN 40 N 5.16 0.35 0.00 3.58 5.15 -1.26 -4.83 115.26 123.41 3knn n ASN 40 Ca 0.04 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 3knn n ASN 40 Cb 0.51 -0.80 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 3knn n ASN 40 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3knn n PRO 41 N 7.19 0.00 -0.25 1.20 -0.02 -1.26 -1.03 135.00 140.83 3knn n PRO 41 Ca 0.55 0.56 0.19 0.00 -2.02 0.00 0.00 63.50 62.78 3knn n PRO 41 Cb 0.01 -0.91 0.30 0.00 -0.02 0.00 0.00 33.50 32.88 3knn n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knn n ALA 42 N -1.91 0.68 -1.81 3.55 0.00 -1.26 -3.69 120.51 116.07 3knn n ALA 42 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3knn n ALA 42 Cb 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 3knn n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3knn s THR 43 N -3.88 2.80 1.10 0.00 -4.23 -0.20 -4.56 115.64 106.66 3knn s THR 43 Ca -0.02 0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.57 3knn s THR 43 Cb 0.11 -3.16 0.18 0.00 1.34 0.00 0.00 72.50 70.97 3knn s THR 43 CO 0.34 -0.00 0.31 0.54 -0.54 0.00 0.00 174.62 175.27 3knn n ARG 44 N 5.80 -2.44 0.09 3.99 5.12 -1.26 -3.38 116.66 124.57 3knn n ARG 44 Ca 0.17 -0.72 -0.13 0.00 -1.93 0.00 0.00 57.85 55.25 3knn n ARG 44 Cb 0.39 -1.59 -0.10 0.00 -1.16 0.00 0.00 32.46 30.01 3knn n ARG 44 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3knn h VAL 45 N -2.66 1.52 0.00 1.55 2.07 -1.84 -3.32 116.25 113.56 3knn h VAL 45 Ca -0.34 -2.93 -0.09 0.00 0.82 0.00 0.00 66.70 64.16 3knn h VAL 45 Cb 0.99 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 3knn h VAL 45 CO 0.22 0.86 -0.41 0.07 0.02 0.00 0.00 177.57 178.33 3knn h LYS 46 N 0.09 0.00 -5.48 1.57 2.10 -1.93 -3.42 116.57 109.50 3knn h LYS 46 Ca -0.09 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.93 3knn h LYS 46 Cb 1.79 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.98 3knn h LYS 46 CO 0.17 0.41 0.14 -0.51 -2.00 0.00 0.00 179.45 177.67 3knn s ASP 47 N -6.63 6.42 0.00 7.07 1.11 -1.25 -4.94 116.67 118.45 3knn s ASP 47 Ca -0.01 0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.83 3knn s ASP 47 Cb 0.12 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.79 3knn s ASP 47 CO 0.70 -0.61 0.00 0.00 1.18 0.00 0.00 175.17 176.45 3knn n LEU 48 N 6.06 0.00 0.00 1.23 -0.00 -1.26 -4.69 117.00 118.34 3knn n LEU 48 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.83 3knn n LEU 48 Cb 0.49 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 44.07 3knn n LEU 48 CO 0.49 0.00 0.19 0.41 -0.00 0.00 0.00 177.39 178.48 3knn n THR 49 N 0.00 0.00 0.11 1.47 -1.04 -1.26 -4.63 114.28 108.93 3knn n THR 49 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 3knn n THR 49 Cb 0.00 -0.54 -0.15 0.00 -1.82 0.00 0.00 70.33 67.82 3knn n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3knn h GLU 50 N 0.00 0.42 -0.79 -2.82 4.39 -2.02 -1.68 114.58 112.08 3knn h GLU 50 Ca -0.21 -0.72 0.18 0.00 0.34 0.00 0.00 59.36 58.95 3knn h GLU 50 Cb 0.73 0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 29.59 3knn h GLU 50 CO 0.13 1.33 0.53 0.00 -1.16 0.00 0.00 179.01 179.84 3knn h ALA 51 N 0.27 2.28 0.00 3.43 0.00 -1.98 1.06 119.26 124.32 3knn h ALA 51 Ca -0.25 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3knn h ALA 51 Cb 2.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 3knn h ALA 51 CO 0.23 -0.50 -0.14 0.93 0.00 0.00 0.00 179.25 179.76 3knn h GLU 52 N 0.31 0.00 -0.01 0.00 5.08 -1.88 -2.91 114.58 115.17 3knn h GLU 52 Ca 0.39 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.78 3knn h GLU 52 Cb 1.07 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 3knn h GLU 52 CO -0.11 0.07 -0.51 0.28 -1.00 0.00 0.00 179.01 177.74 3knn h VAL 53 N -1.00 0.03 0.39 3.13 2.07 -0.81 0.35 116.25 120.41 3knn h VAL 53 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3knn h VAL 53 Cb 0.20 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3knn h VAL 53 CO -0.00 0.00 -0.37 0.58 0.02 0.00 0.00 177.57 177.80 3knn h VAL 54 N -0.65 0.25 -1.01 2.57 2.07 0.96 -0.60 116.25 119.84 3knn h VAL 54 Ca 0.02 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.83 3knn h VAL 54 Cb 0.71 0.25 -0.13 0.00 -1.52 0.00 0.00 31.29 30.59 3knn h VAL 54 CO -0.36 0.00 0.59 -0.09 0.02 0.00 0.00 177.57 177.74 3knn h ARG 55 N -0.77 0.43 0.79 1.57 2.43 -1.31 0.88 114.38 118.40 3knn h ARG 55 Ca -0.03 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3knn h ARG 55 Cb 0.69 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3knn h ARG 55 CO -0.05 0.29 -0.38 1.25 -1.51 0.00 0.00 179.97 179.56 3knn h LEU 56 N 0.45 -0.90 -1.77 3.80 7.12 -0.05 -0.64 115.31 123.32 3knn h LEU 56 Ca 0.69 0.03 0.19 0.00 0.13 0.00 0.00 57.88 58.92 3knn h LEU 56 Cb 1.47 0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 41.79 3knn h LEU 56 CO -0.52 -0.59 0.54 -0.09 -0.13 0.00 0.00 178.44 177.64 3knn h ARG 57 N -1.16 0.20 0.00 1.25 2.43 0.58 0.42 114.38 118.11 3knn h ARG 57 Ca -0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3knn h ARG 57 Cb 0.81 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3knn h ARG 57 CO 0.18 0.13 0.00 0.39 -1.51 0.00 0.00 179.97 179.16 3knn n GLU 58 N -4.41 0.00 -0.30 0.20 -0.58 0.28 0.21 120.64 116.05 3knn n GLU 58 Ca 0.16 0.38 0.07 0.00 -0.42 0.00 0.00 57.16 57.34 3knn n GLU 58 Cb 0.71 -1.30 0.17 0.00 -0.57 0.00 0.00 31.44 30.44 3knn n GLU 58 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3knn h TYR 59 N 0.00 -0.22 0.39 -0.32 3.20 -0.01 -0.33 116.97 119.68 3knn h TYR 59 Ca 0.00 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3knn h TYR 59 Cb 0.00 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3knn h TYR 59 CO 0.03 -0.34 -0.19 0.28 -1.64 0.00 0.00 178.16 176.30 3knn h VAL 60 N 0.04 0.00 0.00 1.81 2.07 -0.10 -0.19 116.25 119.88 3knn h VAL 60 Ca 0.46 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.71 3knn h VAL 60 Cb 0.80 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3knn h VAL 60 CO -0.82 0.00 0.00 1.21 0.02 0.00 0.00 177.57 177.98 3knn n GLU 61 N -4.17 0.43 0.00 1.57 2.13 0.56 -3.28 120.64 117.88 3knn n GLU 61 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 3knn n GLU 61 Cb 0.21 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 30.84 3knn n GLU 61 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3knn n ASN 62 N -0.21 1.55 0.00 4.31 4.13 -0.17 -4.97 115.26 119.90 3knn n ASN 62 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3knn n ASN 62 Cb 0.04 0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 3knn n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3knn n THR 63 N -1.81 0.00 -3.98 3.41 -1.04 -0.09 -4.93 114.28 105.84 3knn n THR 63 Ca 0.00 0.79 -0.22 0.00 -2.04 0.00 0.00 64.05 62.59 3knn n THR 63 Cb 0.19 -1.75 -0.04 0.00 -1.82 0.00 0.00 70.33 66.91 3knn n THR 63 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3knn s TRP 64 N -0.63 3.02 0.76 -1.42 -2.14 -1.26 -5.11 118.94 112.16 3knn s TRP 64 Ca 0.00 -0.20 -0.13 0.00 2.66 0.00 0.00 56.10 58.43 3knn s TRP 64 Cb 0.00 -1.58 0.06 0.00 -3.10 0.00 0.00 33.47 28.85 3knn s TRP 64 CO 0.00 0.37 1.15 0.21 -2.66 0.00 0.00 176.95 176.02 3knn s LYS 65 N -3.91 2.06 0.00 3.25 2.47 -1.26 -4.81 119.74 117.54 3knn s LYS 65 Ca 0.36 1.51 0.00 0.00 -1.56 0.00 0.00 55.97 56.29 3knn s LYS 65 Cb -0.07 -1.85 0.00 0.00 -1.46 0.00 0.00 37.83 34.45 3knn s LYS 65 CO 0.26 -1.85 0.00 1.28 0.16 0.00 0.00 175.35 175.20 3knn n LEU 66 N -3.15 0.00 -4.04 5.43 4.32 -0.99 -4.85 117.00 113.71 3knn n LEU 66 Ca 0.12 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.73 3knn n LEU 66 Cb 0.52 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.36 3knn n LEU 66 CO 0.49 0.00 -1.73 1.21 -1.22 0.00 0.00 177.39 176.14 3knn n GLU 67 N 0.00 -0.15 0.00 3.23 4.07 0.11 -3.23 120.64 124.66 3knn n GLU 67 Ca 0.00 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3knn n GLU 67 Cb 0.00 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 3knn n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3knn n GLY 68 N 3.30 0.01 3.56 8.31 0.00 -1.26 -4.09 105.19 115.02 3knn n GLY 68 Ca -0.01 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3knn n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knn s GLU 69 N 0.00 3.04 0.00 1.61 2.56 -1.24 -1.58 118.70 123.09 3knn s GLU 69 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.19 3knn s GLU 69 Cb 0.00 -4.23 0.00 0.00 2.00 0.00 0.00 34.13 31.90 3knn s GLU 69 CO 0.00 -2.28 0.00 -0.11 -0.56 0.00 0.00 175.26 172.31 3knn n LEU 70 N 10.52 0.00 0.22 2.70 0.00 -1.20 -2.36 117.00 126.88 3knn n LEU 70 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 56.01 56.21 3knn n LEU 70 Cb 0.50 0.00 0.43 0.00 0.00 0.00 0.00 43.42 44.35 3knn n LEU 70 CO 0.71 0.00 0.78 -0.09 0.00 0.00 0.00 177.39 178.79 3knn h ARG 71 N 0.00 0.00 -0.00 1.96 2.43 -1.49 -0.90 114.38 116.38 3knn h ARG 71 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3knn h ARG 71 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3knn h ARG 71 CO 0.00 0.24 -0.35 0.00 -1.51 0.00 0.00 179.97 178.36 3knn n ALA 72 N -2.23 3.23 -0.11 2.80 0.00 -0.61 -3.69 120.51 119.90 3knn n ALA 72 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 3knn n ALA 72 Cb 0.45 -1.18 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 3knn n ALA 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3knn n GLU 73 N -1.21 0.59 0.27 0.00 2.13 -0.44 -4.02 120.64 117.95 3knn n GLU 73 Ca 0.08 0.44 0.18 0.00 0.66 0.00 0.00 57.16 58.52 3knn n GLU 73 Cb 0.33 -1.65 0.88 0.00 0.27 0.00 0.00 31.44 31.27 3knn n GLU 73 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3knn h VAL 74 N -0.92 0.17 0.00 6.31 2.07 -1.43 -1.85 116.25 120.60 3knn h VAL 74 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3knn h VAL 74 Cb 1.47 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3knn h VAL 74 CO -0.27 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.32 3knn n ALA 75 N -2.09 0.00 0.00 1.67 0.00 -1.24 0.72 120.51 119.57 3knn n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knn n ALA 75 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3knn n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knn n ALA 76 N -0.99 1.30 -0.06 0.00 0.00 -1.17 0.88 120.51 120.48 3knn n ALA 76 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3knn n ALA 76 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 3knn n ALA 76 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3knn h ASN 77 N 0.00 0.00 -0.39 0.00 -0.73 -1.10 -1.25 115.58 112.10 3knn h ASN 77 Ca 0.00 -0.09 -0.08 0.00 1.87 0.00 0.00 56.30 58.00 3knn h ASN 77 Cb 0.01 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 3knn h ASN 77 CO 0.00 0.64 -0.04 0.40 -0.37 0.00 0.00 177.43 178.06 3knn h ILE 78 N -1.00 1.25 -0.29 2.57 2.04 0.24 -2.44 117.51 119.88 3knn h ILE 78 Ca -0.01 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 3knn h ILE 78 Cb 0.26 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3knn h ILE 78 CO -0.01 0.37 0.18 0.11 0.00 0.00 0.00 178.15 178.80 3knn h LYS 79 N 0.74 0.39 -1.03 2.37 1.57 0.36 -0.88 116.57 120.08 3knn h LYS 79 Ca 0.14 -0.03 0.30 0.00 -1.87 0.00 0.00 60.65 59.18 3knn h LYS 79 Cb 0.50 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 3knn h LYS 79 CO 0.03 0.30 0.81 -0.09 -0.57 0.00 0.00 179.45 179.92 3knn h ARG 80 N 0.37 0.00 -1.11 3.15 2.43 -0.72 0.45 114.38 118.95 3knn h ARG 80 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3knn h ARG 80 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3knn h ARG 80 CO -0.02 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.72 3knn n LEU 81 N -4.02 1.19 -0.08 3.80 4.77 -0.34 -1.15 117.00 121.18 3knn n LEU 81 Ca 0.22 -0.60 -0.08 0.00 -0.03 0.00 0.00 56.01 55.52 3knn n LEU 81 Cb 1.15 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.87 3knn n LEU 81 CO 0.37 0.22 -1.01 1.15 -1.33 0.00 0.00 177.39 176.78 3knn n MET 82 N 0.54 1.36 0.00 3.23 0.00 0.16 -3.78 117.12 118.63 3knn n MET 82 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.72 3knn n MET 82 Cb 0.22 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 32.06 3knn n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3knn n ASP 83 N -2.65 0.00 -0.15 3.17 3.85 -0.30 -2.35 116.55 118.11 3knn n ASP 83 Ca -0.26 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 53.89 3knn n ASP 83 Cb 0.96 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.68 3knn n ASP 83 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3knn n ILE 84 N 0.00 0.00 0.00 2.12 2.08 -1.26 -5.02 119.36 117.28 3knn n ILE 84 Ca 0.00 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.07 3knn n ILE 84 Cb 0.00 1.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.97 3knn n ILE 84 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3knn n GLY 85 N 1.24 2.35 3.18 7.39 0.00 -0.99 -5.16 105.19 113.20 3knn n GLY 85 Ca 0.04 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 3knn n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knn h TYR 87 N 5.56 -1.02 -0.82 0.00 3.20 -1.94 0.97 116.97 122.92 3knn h TYR 87 Ca -0.38 0.09 0.20 0.00 3.14 0.00 0.00 58.73 61.78 3knn h TYR 87 Cb 1.15 0.56 -0.05 0.00 1.54 0.00 0.00 36.73 39.93 3knn h TYR 87 CO 0.42 -0.39 0.56 -0.09 -1.64 0.00 0.00 178.16 177.01 3knn h ARG 88 N -0.09 0.28 0.47 1.82 2.43 -1.95 -2.47 114.38 114.87 3knn h ARG 88 Ca 0.28 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3knn h ARG 88 Cb 0.57 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3knn h ARG 88 CO -0.82 0.18 -0.22 0.78 -1.51 0.00 0.00 179.97 178.38 3knn h GLY 89 N 0.29 -0.65 -0.94 2.80 0.00 0.88 -3.30 103.07 102.14 3knn h GLY 89 Ca 0.41 0.24 -0.40 0.00 0.00 0.00 0.00 47.33 47.58 3knn h GLY 89 CO -0.11 -0.24 0.01 1.08 0.00 0.00 0.00 176.54 177.28 3knn s LEU 90 N -6.83 -0.10 0.00 3.11 1.43 -0.93 0.18 118.68 115.54 3knn s LEU 90 Ca -0.09 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 3knn s LEU 90 Cb 0.01 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3knn s LEU 90 CO 0.27 -4.69 0.00 0.54 0.23 0.00 0.00 176.35 172.71 3knn n ARG 91 N -5.17 0.00 -0.03 1.70 5.12 -1.26 -3.87 116.66 113.16 3knn n ARG 91 Ca 0.12 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.91 3knn n ARG 91 Cb 0.59 -0.01 -0.14 0.00 -1.16 0.00 0.00 32.46 31.74 3knn n ARG 91 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 3knn n HIS 92 N 0.00 0.94 0.03 -1.55 -0.00 -0.79 0.21 115.22 114.07 3knn n HIS 92 Ca 0.00 0.29 -0.02 0.00 0.46 0.00 0.00 57.72 58.45 3knn n HIS 92 Cb 0.00 -1.16 -0.01 0.00 -0.12 0.00 0.00 29.99 28.71 3knn n HIS 92 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 3knn h ARG 93 N 0.02 -0.10 -1.03 1.57 9.65 -0.38 -3.31 114.38 120.80 3knn h ARG 93 Ca -0.36 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 3knn h ARG 93 Cb 2.04 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.64 3knn h ARG 93 CO 0.07 -0.07 0.00 0.54 2.80 0.00 0.00 179.97 183.31 3knn n ARG 94 N -2.82 0.93 -2.99 0.20 5.12 -1.26 -4.89 116.66 110.94 3knn n ARG 94 Ca -0.01 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3knn n ARG 94 Cb 0.04 -1.17 -0.00 0.00 -1.16 0.00 0.00 32.46 30.17 3knn n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knn n GLY 95 N 0.38 -1.78 3.53 -0.13 0.00 -1.22 -4.80 105.19 101.17 3knn n GLY 95 Ca 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 3knn n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knn s LEU 96 N -1.19 -0.34 0.29 0.99 1.43 0.57 -4.82 118.68 115.62 3knn s LEU 96 Ca -0.01 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 3knn s LEU 96 Cb 0.00 1.90 -0.13 0.00 0.03 0.00 0.00 46.19 48.00 3knn s LEU 96 CO 0.32 -0.50 1.37 -2.65 0.23 0.00 0.00 176.35 175.12 3knn n PRO 97 N 0.01 2.15 -0.12 1.29 -0.02 -1.26 -4.09 135.00 132.96 3knn n PRO 97 Ca -0.08 0.76 -0.17 0.00 -2.02 0.00 0.00 63.50 61.99 3knn n PRO 97 Cb 0.60 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 3knn n PRO 97 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3knn n VAL 98 N 1.22 1.39 0.58 -1.45 0.31 -1.26 -4.33 118.33 114.78 3knn n VAL 98 Ca 0.08 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 3knn n VAL 98 Cb 0.34 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3knn n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knn n ARG 99 N -3.21 0.47 -1.88 5.55 1.74 -1.26 -4.84 116.66 113.22 3knn n ARG 99 Ca -0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 3knn n ARG 99 Cb 0.96 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 3knn n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knn n GLY 100 N 0.19 -4.97 3.38 -0.13 0.00 -1.26 -5.10 105.19 97.31 3knn n GLY 100 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 3knn n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3knn n GLN 101 N 1.32 0.59 -2.13 1.61 3.00 -1.26 -5.06 117.38 115.45 3knn n GLN 101 Ca 0.00 -3.13 -0.39 0.00 -0.01 0.00 0.00 57.00 53.47 3knn n GLN 101 Cb 0.00 2.79 -0.02 0.00 0.00 0.00 0.00 30.24 33.01 3knn n GLN 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3knn n ARG 102 N -0.62 2.56 -0.33 -1.09 5.12 -1.26 -4.75 116.66 116.29 3knn n ARG 102 Ca 0.04 -2.79 0.31 0.00 -1.93 0.00 0.00 57.85 53.48 3knn n ARG 102 Cb 0.61 -3.45 0.66 0.00 -1.16 0.00 0.00 32.46 29.12 3knn n ARG 102 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3knn h THR 103 N 5.29 0.43 0.00 0.55 1.35 -1.97 -3.29 112.91 115.27 3knn h THR 103 Ca 0.41 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 3knn h THR 103 Cb 0.82 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3knn h THR 103 CO 1.54 0.03 0.00 -1.14 -0.25 0.00 0.00 175.52 175.70 3knn n ARG 104 N -4.36 0.00 -1.70 4.72 0.63 -1.26 -4.72 116.66 109.96 3knn n ARG 104 Ca 0.26 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.82 3knn n ARG 104 Cb 1.13 0.00 0.06 0.00 0.45 0.00 0.00 32.46 34.10 3knn n ARG 104 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3knn n THR 105 N 0.00 4.51 -4.65 5.15 -2.24 -1.24 -4.72 114.28 111.09 3knn n THR 105 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3knn n THR 105 Cb 0.00 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 3knn n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3knn n ASN 106 N -1.50 -2.42 -0.43 3.42 4.13 -1.26 -4.58 115.26 112.61 3knn n ASN 106 Ca 0.15 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.36 3knn n ASN 106 Cb 0.47 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.70 3knn n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3knn n ALA 107 N 1.52 -0.10 0.24 5.41 0.00 -1.26 -4.76 120.51 121.56 3knn n ALA 107 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.59 3knn n ALA 107 Cb 0.00 -0.87 0.62 0.00 0.00 0.00 0.00 19.45 19.20 3knn n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knn h ARG 108 N 0.00 0.00 -0.39 0.00 -0.00 -1.92 -3.13 114.38 108.93 3knn h ARG 108 Ca -0.10 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.40 3knn h ARG 108 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.54 3knn h ARG 108 CO 0.14 0.15 0.21 1.15 0.00 0.00 0.00 179.97 181.62 3knn h THR 109 N 0.00 1.01 -0.40 2.04 2.02 -1.96 -2.28 112.91 113.35 3knn h THR 109 Ca -0.00 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 3knn h THR 109 Cb 0.30 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3knn h THR 109 CO 0.02 0.08 0.05 0.54 0.37 0.00 0.00 175.52 176.57 3knn n ARG 110 N -4.90 3.34 -3.69 6.66 1.74 -1.18 -4.81 116.66 113.83 3knn n ARG 110 Ca 0.01 -2.03 -0.19 0.00 -0.77 0.00 0.00 57.85 54.88 3knn n ARG 110 Cb 0.08 -1.97 -0.17 0.00 -1.02 0.00 0.00 32.46 29.37 3knn n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3knn s LYS 111 N -2.14 -0.05 -0.48 5.56 1.02 -0.86 -4.09 119.74 118.70 3knn s LYS 111 Ca 0.35 0.39 -0.43 0.00 0.02 0.00 0.00 55.97 56.30 3knn s LYS 111 Cb 0.27 -0.42 -0.18 0.00 -0.52 0.00 0.00 37.83 36.98 3knn s LYS 111 CO 0.10 -0.30 2.08 0.41 -0.92 0.00 0.00 175.35 176.72 3knn n GLY 112 N 5.12 -0.02 1.59 -3.33 0.00 -1.26 -4.74 105.19 102.54 3knn n GLY 112 Ca -0.07 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.03 3knn n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knn n PRO 113 N 7.16 0.00 -4.24 1.61 -0.02 -1.26 -4.65 135.00 133.59 3knn n PRO 113 Ca 0.50 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 3knn n PRO 113 Cb -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.37 3knn n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3knn s ARG 114 N 0.00 1.06 0.00 -0.52 1.81 -1.26 -4.96 118.95 115.08 3knn s ARG 114 Ca 0.00 -1.48 0.00 0.00 -1.72 0.00 0.00 55.73 52.53 3knn s ARG 114 Cb 0.00 -0.41 0.00 0.00 -0.45 0.00 0.00 34.95 34.09 3knn s ARG 114 CO 0.00 -0.04 0.00 1.63 -0.68 0.00 0.00 175.30 176.21 3knn n LYS 115 N -0.21 2.69 0.00 3.54 4.01 -1.26 -5.13 118.16 121.80 3knn n LYS 115 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 3knn n LYS 115 Cb 0.62 -0.76 0.00 0.00 -0.51 0.00 0.00 35.03 34.38 3knn n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3knn n THR 116 N -0.90 0.00 0.00 -0.18 -1.04 -1.26 -5.04 114.28 105.86 3knn n THR 116 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3knn n THR 116 Cb 0.07 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 3knn n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3knn n VAL 117 N 0.00 0.00 -1.86 12.58 0.31 -1.26 -5.05 118.33 123.05 3knn n VAL 117 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3knn n VAL 117 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3knn n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knn s ALA 118 N -2.79 3.02 0.00 3.52 0.00 -1.26 -5.35 121.76 118.90 3knn s ALA 118 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.93 3knn s ALA 118 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3knn s ALA 118 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42