#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l1n s ALA 7 N 0.00 2.12 0.12 0.62 0.00 -1.26 -4.91 121.76 118.45 3l1n s ALA 7 Ca 0.00 0.70 -0.35 0.00 0.00 0.00 0.00 51.96 52.32 3l1n s ALA 7 Cb 0.00 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 3l1n s ALA 7 CO 0.00 -1.85 1.15 2.41 0.00 0.00 0.00 175.76 177.47 3l1n n THR 8 N -2.94 0.57 -3.74 0.00 -1.04 -1.26 -4.99 114.28 100.89 3l1n n THR 8 Ca 0.12 -0.14 -0.22 0.00 -2.04 0.00 0.00 64.05 61.77 3l1n n THR 8 Cb 0.51 -0.63 -0.04 0.00 -1.82 0.00 0.00 70.33 68.35 3l1n n THR 8 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3l1n s LYS 9 N -0.12 2.43 0.24 -2.82 1.02 -1.26 -5.07 119.74 114.16 3l1n s LYS 9 Ca 0.79 -1.64 -0.31 0.00 0.02 0.00 0.00 55.97 54.83 3l1n s LYS 9 Cb -0.96 -2.25 -0.14 0.00 -0.52 0.00 0.00 37.83 33.97 3l1n s LYS 9 CO 0.52 -0.17 1.37 0.28 -0.92 0.00 0.00 175.35 176.43 3l1n n VAL 10 N -1.45 1.04 -1.62 3.17 0.31 -1.26 -4.83 118.33 113.68 3l1n n VAL 10 Ca 0.02 -0.26 -0.48 0.00 -0.01 0.00 0.00 64.34 63.61 3l1n n VAL 10 Cb 0.63 -1.42 -0.04 0.00 -0.91 0.00 0.00 33.84 32.10 3l1n n VAL 10 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3l1n n GLN 11 N 1.88 1.59 -1.91 5.55 7.27 -1.26 -4.92 117.38 125.57 3l1n n GLN 11 Ca 0.11 0.57 -0.42 0.00 0.07 0.00 0.00 57.00 57.34 3l1n n GLN 11 Cb 0.31 -2.19 -0.02 0.00 2.41 0.00 0.00 30.24 30.75 3l1n n GLN 11 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3l1n s ARG 12 N 0.05 4.21 -0.68 3.69 3.52 -1.26 -4.94 118.95 123.53 3l1n s ARG 12 Ca 0.75 2.41 -0.27 0.00 -0.13 0.00 0.00 55.73 58.50 3l1n s ARG 12 Cb -0.79 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 29.53 3l1n s ARG 12 CO 0.48 -0.53 1.42 0.34 -0.81 0.00 0.00 175.30 176.20 3l1n s ASP 13 N 0.56 5.97 -0.22 -2.12 -1.08 -1.26 -4.84 116.67 113.68 3l1n s ASP 13 Ca 0.63 -0.15 0.15 0.00 -0.52 0.00 0.00 52.55 52.66 3l1n s ASP 13 Cb -0.44 -2.55 0.77 0.00 -1.46 0.00 0.00 42.92 39.23 3l1n s ASP 13 CO 0.42 -1.93 1.69 2.30 0.52 0.00 0.00 175.17 178.18 3l1n n ILE 14 N 6.64 2.61 -0.02 4.11 -5.35 -1.26 -4.64 119.36 121.45 3l1n n ILE 14 Ca 0.08 -1.47 0.11 0.00 -0.27 0.00 0.00 62.75 61.20 3l1n n ILE 14 Cb 0.50 -0.24 0.51 0.00 -1.74 0.00 0.00 39.64 38.68 3l1n n ILE 14 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3l1n h SER 15 N 3.65 0.32 -1.00 7.28 4.64 -2.00 -1.81 113.55 124.63 3l1n h SER 15 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3l1n h SER 15 Cb 1.85 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.82 3l1n h SER 15 CO 0.43 0.21 0.66 0.00 -0.87 0.00 0.00 176.83 177.25 3l1n h ALA 16 N 1.74 1.31 -0.35 5.18 0.00 -1.96 0.11 119.26 125.29 3l1n h ALA 16 Ca 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3l1n h ALA 16 Cb 0.40 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3l1n h ALA 16 CO -0.05 0.59 0.02 0.74 0.00 0.00 0.00 179.25 180.56 3l1n h PHE 17 N 1.30 0.65 -0.71 0.00 0.04 -1.71 -2.23 116.94 114.29 3l1n h PHE 17 Ca 0.39 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 61.01 3l1n h PHE 17 Cb -0.06 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 3l1n h PHE 17 CO -0.00 0.69 0.26 0.87 -0.60 0.00 0.00 178.31 179.53 3l1n h LYS 18 N 0.43 1.06 -0.50 1.51 1.57 -1.23 -2.96 116.57 116.45 3l1n h LYS 18 Ca 0.10 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3l1n h LYS 18 Cb 0.41 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3l1n h LYS 18 CO 0.01 0.88 0.09 0.87 -0.57 0.00 0.00 179.45 180.73 3l1n h LYS 19 N 1.03 0.82 -0.83 3.15 1.57 -0.68 -0.68 116.57 120.95 3l1n h LYS 19 Ca 0.24 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3l1n h LYS 19 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3l1n h LYS 19 CO -0.02 0.81 0.00 0.28 -0.57 0.00 0.00 179.45 179.95 3l1n n VAL 20 N -4.42 0.02 0.00 0.50 0.31 -0.85 -1.01 118.33 112.88 3l1n n VAL 20 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3l1n n VAL 20 Cb 0.25 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 3l1n n VAL 20 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3l1n n GLN 22 N 0.68 0.00 -0.09 5.55 -0.06 -0.26 -1.20 117.38 122.00 3l1n n GLN 22 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 3l1n n GLN 22 Cb 0.02 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.17 3l1n n GLN 22 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 3l1n h ASN 23 N 0.00 0.39 -0.46 1.69 -1.24 -1.33 -0.28 115.58 114.35 3l1n h ASN 23 Ca 0.00 -0.18 -0.05 0.00 0.71 0.00 0.00 56.30 56.79 3l1n h ASN 23 Cb 0.00 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 3l1n h ASN 23 CO 0.00 0.46 0.11 0.40 -1.29 0.00 0.00 177.43 177.11 3l1n h ILE 24 N 0.30 1.24 -0.51 2.57 2.04 -1.41 -2.13 117.51 119.61 3l1n h ILE 24 Ca 0.09 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.17 3l1n h ILE 24 Cb 0.20 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3l1n h ILE 24 CO -0.01 0.30 0.25 -1.28 0.00 0.00 0.00 178.15 177.41 3l1n h SER 25 N 0.62 0.36 -0.76 1.72 0.87 -1.75 -0.04 113.55 114.58 3l1n h SER 25 Ca 0.14 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3l1n h SER 25 Cb 0.33 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3l1n h SER 25 CO 0.00 0.25 0.30 -0.07 -0.53 0.00 0.00 176.83 176.79 3l1n h LEU 26 N 0.50 1.04 -0.59 2.23 3.38 -0.92 -0.41 115.31 120.54 3l1n h LEU 26 Ca 0.23 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3l1n h LEU 26 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3l1n h LEU 26 CO -0.16 0.93 0.02 0.00 0.09 0.00 0.00 178.44 179.32 3l1n h ALA 27 N 1.15 0.80 -0.48 1.53 0.00 -0.85 -0.67 119.26 120.74 3l1n h ALA 27 Ca 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3l1n h ALA 27 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3l1n h ALA 27 CO -0.02 0.62 0.14 0.28 0.00 0.00 0.00 179.25 180.27 3l1n h VAL 28 N 0.93 1.23 -0.52 0.00 2.07 -0.85 -2.20 116.25 116.91 3l1n h VAL 28 Ca 0.17 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3l1n h VAL 28 Cb 0.53 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3l1n h VAL 28 CO 0.03 0.28 0.28 -1.13 0.02 0.00 0.00 177.57 177.05 3l1n h ASN 29 N 0.64 0.66 -0.70 0.57 -1.24 -0.86 0.52 115.58 115.16 3l1n h ASN 29 Ca 0.15 -0.10 0.04 0.00 0.71 0.00 0.00 56.30 57.11 3l1n h ASN 29 Cb 0.29 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.12 3l1n h ASN 29 CO -0.00 0.56 0.43 0.50 -1.29 0.00 0.00 177.43 177.63 3l1n h LYS 30 N 0.70 0.79 -0.16 6.67 3.11 -1.02 0.07 116.57 126.72 3l1n h LYS 30 Ca 0.18 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.97 3l1n h LYS 30 Cb 0.06 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.10 3l1n h LYS 30 CO -0.03 0.52 0.09 0.35 -2.81 0.00 0.00 179.45 177.57 3l1n h PHE 31 N 0.82 0.23 -0.71 1.91 3.57 -0.93 -2.40 116.94 119.42 3l1n h PHE 31 Ca 0.29 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.81 3l1n h PHE 31 Cb 0.08 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3l1n h PHE 31 CO -0.05 0.24 0.45 -0.91 -2.23 0.00 0.00 178.31 175.81 3l1n h ASN 32 N 0.15 0.75 -0.34 0.41 -0.26 -0.26 0.20 115.58 116.23 3l1n h ASN 32 Ca 0.06 -0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.83 3l1n h ASN 32 Cb 0.09 -0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.15 3l1n h ASN 32 CO -0.01 0.52 0.12 0.58 -1.06 0.00 0.00 177.43 177.59 3l1n h VAL 33 N 0.89 0.91 -0.16 2.81 2.07 -0.94 -2.11 116.25 119.72 3l1n h VAL 33 Ca 0.28 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.62 3l1n h VAL 33 Cb -0.01 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3l1n h VAL 33 CO -0.10 0.05 -0.24 0.44 0.02 0.00 0.00 177.57 177.74 3l1n h ASP 34 N 0.27 0.49 -0.37 0.57 3.32 -0.92 -3.09 116.42 116.70 3l1n h ASP 34 Ca 0.15 -0.53 -0.09 0.00 0.02 0.00 0.00 57.03 56.58 3l1n h ASP 34 Cb 0.12 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3l1n h ASP 34 CO -0.15 0.92 -0.09 -0.29 -1.72 0.00 0.00 179.24 177.91 3l1n h ILE 35 N 0.07 1.26 0.00 0.35 6.09 -0.57 -0.76 117.51 123.95 3l1n h ILE 35 Ca 0.01 -1.15 -0.05 0.00 -1.37 0.00 0.00 64.86 62.30 3l1n h ILE 35 Cb 0.82 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 3l1n h ILE 35 CO 0.06 0.40 -0.26 -0.33 -3.07 0.00 0.00 178.15 174.94 3l1n h GLU 36 N 0.73 0.00 -0.01 2.19 5.08 -1.45 -2.35 114.58 118.77 3l1n h GLU 36 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3l1n h GLU 36 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3l1n h GLU 36 CO 0.04 0.26 -0.35 0.54 -1.00 0.00 0.00 179.01 178.50 3l1n n ARG 37 N -3.81 0.85 -2.41 2.33 1.74 -0.87 -4.90 116.66 109.59 3l1n n ARG 37 Ca -0.01 -0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 56.08 3l1n n ARG 37 Cb 0.35 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3l1n n ARG 37 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3l1n s TYR 38 N -2.54 3.13 -0.20 -1.55 5.04 -0.35 -4.89 117.35 115.99 3l1n s TYR 38 Ca 0.22 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.99 3l1n s TYR 38 Cb 0.19 -3.47 -0.12 0.00 0.35 0.00 0.00 41.96 38.90 3l1n s TYR 38 CO 0.56 -1.54 -0.18 0.28 -1.34 0.00 0.00 175.55 173.32 3l1n n VAL 39 N 4.59 1.12 0.00 3.14 0.31 -1.26 -5.01 118.33 121.22 3l1n n VAL 39 Ca 0.11 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3l1n n VAL 39 Cb 0.46 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 3l1n n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3l1n n GLY 40 N 2.47 -0.87 6.76 2.92 0.00 -1.26 -5.17 105.19 110.05 3l1n n GLY 40 Ca -0.35 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3l1n n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l1n n GLY 41 N -0.58 -1.63 3.70 -0.02 0.00 -1.26 -4.91 105.19 100.50 3l1n n GLY 41 Ca 0.00 -1.36 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 3l1n n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3l1n n ASP 42 N 0.19 3.64 -0.55 1.61 2.03 -1.26 -4.89 116.55 117.32 3l1n n ASP 42 Ca 0.00 1.07 0.09 0.00 0.52 0.00 0.00 54.79 56.47 3l1n n ASP 42 Cb 0.00 -1.52 0.20 0.00 -0.72 0.00 0.00 41.12 39.08 3l1n n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3l1n n ALA 43 N 3.69 2.65 -0.32 -1.67 0.00 -1.26 -4.71 120.51 118.87 3l1n n ALA 43 Ca 0.16 -2.32 0.12 0.00 0.00 0.00 0.00 53.44 51.40 3l1n n ALA 43 Cb 0.33 -0.55 0.33 0.00 0.00 0.00 0.00 19.45 19.55 3l1n n ALA 43 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3l1n h SER 44 N 1.09 0.76 0.37 0.00 0.02 -2.00 -0.26 113.55 113.52 3l1n h SER 44 Ca 0.00 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 3l1n h SER 44 Cb 1.21 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3l1n h SER 44 CO 0.12 0.34 -0.34 1.12 -1.14 0.00 0.00 176.83 176.94 3l1n h HIS 45 N 0.78 0.00 -0.24 3.45 2.07 -1.99 -0.43 115.15 118.79 3l1n h HIS 45 Ca 0.51 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.84 3l1n h HIS 45 Cb 0.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.75 3l1n h HIS 45 CO -0.00 0.34 -0.61 -0.07 -3.07 0.00 0.00 177.93 174.52 3l1n h LEU 46 N 0.00 0.95 -0.69 6.12 3.38 -1.42 -1.01 115.31 122.65 3l1n h LEU 46 Ca -0.00 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 3l1n h LEU 46 Cb 0.62 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3l1n h LEU 46 CO 0.04 1.35 0.20 -0.07 0.09 0.00 0.00 178.44 180.05 3l1n h LEU 47 N 0.60 1.01 -0.64 1.67 -0.00 -1.11 -0.88 115.31 115.97 3l1n h LEU 47 Ca -0.01 -0.21 0.01 0.00 -0.00 0.00 0.00 57.88 57.67 3l1n h LEU 47 Cb 1.23 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.59 3l1n h LEU 47 CO 0.13 0.96 0.42 0.00 -0.00 0.00 0.00 178.44 179.95 3l1n h ALA 48 N 1.09 0.81 -0.83 1.53 0.00 -1.03 0.81 119.26 121.65 3l1n h ALA 48 Ca 0.22 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3l1n h ALA 48 Cb 0.32 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3l1n h ALA 48 CO -0.00 0.22 0.52 -0.44 0.00 0.00 0.00 179.25 179.54 3l1n h ASP 49 N 0.84 0.83 -0.57 0.00 3.32 -0.82 -0.31 116.42 119.71 3l1n h ASP 49 Ca 0.24 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3l1n h ASP 49 Cb -0.07 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3l1n h ASP 49 CO -0.06 0.55 0.32 1.23 -1.72 0.00 0.00 179.24 179.56 3l1n h GLY 50 N 0.97 0.85 1.01 2.75 0.00 -0.44 -1.73 103.07 106.49 3l1n h GLY 50 Ca 0.35 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3l1n h GLY 50 CO -0.15 0.37 0.37 3.43 0.00 0.00 0.00 176.54 180.56 3l1n h ASN 51 N 0.77 0.96 -0.86 0.19 2.35 -0.18 -0.41 115.58 118.41 3l1n h ASN 51 Ca 0.20 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3l1n h ASN 51 Cb 0.04 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 3l1n h ASN 51 CO -0.03 0.81 0.54 0.58 -1.65 0.00 0.00 177.43 177.68 3l1n h VAL 52 N 1.03 1.23 -0.35 2.81 2.07 -0.85 -0.88 116.25 121.32 3l1n h VAL 52 Ca 0.26 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3l1n h VAL 52 Cb 0.10 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3l1n h VAL 52 CO -0.03 0.23 -0.00 0.25 0.02 0.00 0.00 177.57 178.04 3l1n h LEU 53 N 1.17 0.61 -0.52 2.57 5.85 -0.86 0.06 115.31 124.19 3l1n h LEU 53 Ca 0.31 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3l1n h LEU 53 Cb -0.09 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3l1n h LEU 53 CO -0.06 0.77 0.29 -0.29 -0.34 0.00 0.00 178.44 178.80 3l1n h ILE 54 N 0.43 1.00 -0.76 4.05 2.10 -0.85 -1.00 117.51 122.48 3l1n h ILE 54 Ca 0.10 -0.19 -0.05 0.00 1.08 0.00 0.00 64.86 65.80 3l1n h ILE 54 Cb 0.46 0.39 -0.03 0.00 -1.09 0.00 0.00 36.82 36.54 3l1n h ILE 54 CO 0.02 0.10 0.29 0.50 -1.08 0.00 0.00 178.15 177.98 3l1n h LYS 55 N 0.57 1.15 -0.78 2.19 3.11 -0.97 -0.23 116.57 121.62 3l1n h LYS 55 Ca 0.22 -0.22 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 3l1n h LYS 55 Cb 0.08 -0.18 -0.04 0.00 -1.00 0.00 0.00 32.23 31.09 3l1n h LYS 55 CO -0.13 0.95 0.38 0.00 -2.81 0.00 0.00 179.45 177.84 3l1n h ALA 56 N 1.19 1.00 0.05 5.00 0.00 -0.57 0.29 119.26 126.22 3l1n h ALA 56 Ca 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3l1n h ALA 56 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3l1n h ALA 56 CO -0.02 0.55 -0.03 1.15 0.00 0.00 0.00 179.25 180.91 3l1n h THR 57 N 1.09 1.07 -0.35 0.00 2.02 -0.72 -1.62 112.91 114.40 3l1n h THR 57 Ca 0.27 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 3l1n h THR 57 Cb 0.10 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3l1n h THR 57 CO -0.04 0.10 -0.26 -0.07 0.37 0.00 0.00 175.52 175.62 3l1n h LEU 58 N -0.25 0.73 -1.51 2.58 3.38 -0.90 -1.72 115.31 117.62 3l1n h LEU 58 Ca -0.01 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3l1n h LEU 58 Cb 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3l1n h LEU 58 CO 0.01 0.96 0.38 0.44 0.09 0.00 0.00 178.44 180.32 3l1n h ASP 59 N 0.61 0.55 -0.75 -0.43 3.32 -0.40 -1.85 116.42 117.48 3l1n h ASP 59 Ca 0.08 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3l1n h ASP 59 Cb 0.76 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3l1n h ASP 59 CO 0.06 0.37 0.30 1.23 -1.72 0.00 0.00 179.24 179.48 3l1n h GLY 60 N 0.63 1.20 0.82 2.75 0.00 -0.40 0.23 103.07 108.31 3l1n h GLY 60 Ca 0.24 -0.66 0.04 0.00 0.00 0.00 0.00 47.33 46.95 3l1n h GLY 60 CO -0.07 0.62 0.52 -2.08 0.00 0.00 0.00 176.54 175.53 3l1n h VAL 61 N 1.08 1.10 -0.08 4.60 2.07 -0.83 -1.74 116.25 122.45 3l1n h VAL 61 Ca 0.25 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 3l1n h VAL 61 Cb 0.22 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3l1n h VAL 61 CO -0.02 0.18 -0.51 -0.61 0.02 0.00 0.00 177.57 176.63 3l1n h GLN 62 N 0.99 0.49 -0.20 1.57 4.15 -1.10 -3.07 115.11 117.93 3l1n h GLN 62 Ca 0.34 -0.42 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 3l1n h GLN 62 Cb 0.06 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3l1n h GLN 62 CO -0.13 1.05 0.09 0.77 -1.93 0.00 0.00 178.83 178.68 3l1n h SER 63 N 0.06 0.24 -0.27 -0.69 0.02 -0.33 -2.69 113.55 109.88 3l1n h SER 63 Ca -0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3l1n h SER 63 Cb 1.16 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3l1n h SER 63 CO 0.10 0.21 0.00 0.18 -1.14 0.00 0.00 176.83 176.19 3l1n n LEU 64 N -4.47 3.24 0.30 5.07 4.77 -0.67 -4.50 117.00 120.75 3l1n n LEU 64 Ca 0.00 -1.36 0.17 0.00 -0.03 0.00 0.00 56.01 54.79 3l1n n LEU 64 Cb 0.11 -0.17 0.95 0.00 -2.33 0.00 0.00 43.42 41.98 3l1n n LEU 64 CO 0.35 0.66 1.10 0.06 -1.33 0.00 0.00 177.39 178.23 3l1n h GLN 65 N 4.33 0.00 -0.30 3.23 3.07 -1.37 -2.49 115.11 121.57 3l1n h GLN 65 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3l1n h GLN 65 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.51 3l1n h GLN 65 CO 0.00 0.03 0.00 0.27 0.09 0.00 0.00 178.83 179.22 3l1n n ASN 66 N -3.51 2.81 -4.68 0.06 2.04 -1.26 -4.99 115.26 105.72 3l1n n ASN 66 Ca -0.02 -1.89 -0.40 0.00 -0.44 0.00 0.00 54.58 51.83 3l1n n ASN 66 Cb 0.13 -0.20 -0.05 0.00 -2.53 0.00 0.00 39.78 37.13 3l1n n ASN 66 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 3l1n s GLU 67 N -1.01 4.30 0.87 -3.83 0.41 -0.94 -5.06 118.70 113.44 3l1n s GLU 67 Ca 0.23 0.72 -0.11 0.00 -0.41 0.00 0.00 54.97 55.40 3l1n s GLU 67 Cb 0.13 -3.52 0.12 0.00 -1.78 0.00 0.00 34.13 29.07 3l1n s GLU 67 CO 0.17 -0.11 1.16 -2.14 -0.49 0.00 0.00 175.26 173.85 3l1n s PRO 68 N 1.46 1.30 0.66 0.39 0.02 -1.26 -4.96 135.00 132.61 3l1n s PRO 68 Ca 0.32 1.60 -0.17 0.00 0.02 0.00 0.00 61.00 62.77 3l1n s PRO 68 Cb -0.16 -1.75 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 3l1n s PRO 68 CO 0.13 -2.43 1.02 -2.30 -0.33 0.00 0.00 177.00 173.08 3l1n n PRO 69 N -3.87 0.76 -2.98 5.54 -0.02 -1.26 -4.97 135.00 128.21 3l1n n PRO 69 Ca 0.12 0.31 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 3l1n n PRO 69 Cb 0.52 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3l1n n PRO 69 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3l1n s LEU 70 N -2.86 4.54 0.89 2.45 1.43 -1.26 -5.08 118.68 118.78 3l1n s LEU 70 Ca 0.76 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 3l1n s LEU 70 Cb -0.38 -3.27 0.12 0.00 0.03 0.00 0.00 46.19 42.69 3l1n s LEU 70 CO 0.47 0.13 1.13 -0.94 0.23 0.00 0.00 176.35 177.37 3l1n s SER 71 N -0.69 3.70 0.00 2.29 1.04 -1.26 -4.79 113.70 113.98 3l1n s SER 71 Ca 0.37 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.83 3l1n s SER 71 Cb -0.22 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.27 3l1n s SER 71 CO 0.25 -2.44 0.00 -1.20 0.98 0.00 0.00 173.24 170.83 3l1n n SER 72 N -3.70 0.00 0.00 7.02 7.64 -1.26 -0.78 113.62 122.54 3l1n n SER 72 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3l1n n SER 72 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3l1n n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3l1n n GLU 74 N 0.12 0.00 -0.26 1.43 1.02 -1.26 -1.87 120.64 119.82 3l1n n GLU 74 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3l1n n GLU 74 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 3l1n n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3l1n h ALA 75 N 0.00 0.94 -0.55 0.62 0.00 -1.26 -2.62 119.26 116.39 3l1n h ALA 75 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3l1n h ALA 75 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3l1n h ALA 75 CO 0.00 0.64 0.00 1.25 0.00 0.00 0.00 179.25 181.14 3l1n h LEU 76 N 1.07 0.91 -1.81 0.00 5.85 -1.62 0.01 115.31 119.72 3l1n h LEU 76 Ca 0.23 -0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.83 3l1n h LEU 76 Cb 0.32 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3l1n h LEU 76 CO -0.00 0.97 0.38 0.00 -0.34 0.00 0.00 178.44 179.44 3l1n h ALA 77 N 1.13 2.23 0.03 1.25 0.00 -1.75 0.35 119.26 122.50 3l1n h ALA 77 Ca 0.16 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3l1n h ALA 77 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3l1n h ALA 77 CO 0.02 -0.37 -0.32 -0.07 0.00 0.00 0.00 179.25 178.52 3l1n h LEU 78 N 0.21 0.11 0.00 0.00 3.38 -1.04 -3.35 115.31 114.62 3l1n h LEU 78 Ca 0.26 -0.95 -0.14 0.00 0.09 0.00 0.00 57.88 57.14 3l1n h LEU 78 Cb 0.73 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3l1n h LEU 78 CO -0.05 1.14 -1.41 1.33 0.09 0.00 0.00 178.44 179.55 3l1n n VAL 79 N -4.47 1.04 -3.19 1.22 0.24 -0.07 -4.54 118.33 108.57 3l1n n VAL 79 Ca -0.13 -0.66 -0.23 0.00 -2.04 0.00 0.00 64.34 61.27 3l1n n VAL 79 Cb 0.58 -0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 32.26 3l1n n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3l1n n GLY 80 N 1.36 2.96 0.26 7.63 0.00 0.12 -5.00 105.19 112.53 3l1n n GLY 80 Ca -0.09 -1.58 0.07 0.00 0.00 0.00 0.00 46.02 44.42 3l1n n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3l1n h PRO 81 N 3.84 0.09 -0.27 1.61 0.13 -1.68 -0.39 132.00 135.34 3l1n h PRO 81 Ca 0.07 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.05 3l1n h PRO 81 Cb 0.89 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 3l1n h PRO 81 CO 0.47 0.10 -0.41 0.28 -0.23 0.00 0.00 178.00 178.21 3l1n h VAL 82 N 0.09 1.30 -0.59 1.56 2.07 -1.92 -1.64 116.25 117.12 3l1n h VAL 82 Ca 0.02 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 3l1n h VAL 82 Cb 0.06 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3l1n h VAL 82 CO 0.00 0.51 0.23 -0.61 0.02 0.00 0.00 177.57 177.72 3l1n h GLN 83 N 0.49 0.89 -0.33 1.57 5.75 -1.75 -1.01 115.11 120.73 3l1n h GLN 83 Ca 0.02 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3l1n h GLN 83 Cb 1.00 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.37 3l1n h GLN 83 CO 0.09 0.77 0.08 0.22 -2.65 0.00 0.00 178.83 177.34 3l1n h ASP 84 N 0.82 0.04 -0.34 -0.69 3.58 -1.02 0.13 116.42 118.96 3l1n h ASP 84 Ca 0.20 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 3l1n h ASP 84 Cb 0.21 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 3l1n h ASP 84 CO -0.01 0.06 0.16 0.25 -2.88 0.00 0.00 179.24 176.82 3l1n h LEU 85 N 0.20 0.44 -0.37 2.28 5.85 -1.01 -0.80 115.31 121.90 3l1n h LEU 85 Ca 0.15 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3l1n h LEU 85 Cb 0.16 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3l1n h LEU 85 CO -0.19 0.44 0.12 -1.28 -0.34 0.00 0.00 178.44 177.19 3l1n h SER 86 N 0.41 0.11 -0.78 1.25 0.87 -0.95 -0.74 113.55 113.72 3l1n h SER 86 Ca 0.12 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 3l1n h SER 86 Cb 0.11 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 3l1n h SER 86 CO -0.01 0.10 0.48 0.78 -0.53 0.00 0.00 176.83 177.64 3l1n h ASN 87 N 0.27 0.75 0.13 6.23 2.35 -0.51 -2.69 115.58 122.11 3l1n h ASN 87 Ca 0.17 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 3l1n h ASN 87 Cb 0.16 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3l1n h ASN 87 CO -0.19 0.49 -0.56 1.56 -1.65 0.00 0.00 177.43 177.09 3l1n h GLN 88 N 0.89 0.45 -0.79 0.81 1.08 -0.66 -1.64 115.11 115.25 3l1n h GLN 88 Ca 0.34 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3l1n h GLN 88 Cb 0.13 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3l1n h GLN 88 CO -0.16 0.89 0.00 -0.89 -0.95 0.00 0.00 178.83 177.72 3l1n n ILE 89 N -3.94 0.05 0.00 2.54 5.41 -0.33 -1.33 119.36 121.76 3l1n n ILE 89 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3l1n n ILE 89 Cb 0.60 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 3l1n n ILE 89 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3l1n n LEU 91 N 0.63 0.00 -0.26 1.39 7.94 -0.62 -1.72 117.00 124.36 3l1n n LEU 91 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 3l1n n LEU 91 Cb 0.04 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.10 3l1n n LEU 91 CO 0.00 0.00 1.14 0.00 -1.11 0.00 0.00 177.39 177.42 3l1n h ALA 92 N 0.00 0.99 -0.21 1.96 0.00 -1.48 0.84 119.26 121.36 3l1n h ALA 92 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3l1n h ALA 92 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3l1n h ALA 92 CO 0.00 0.19 0.09 0.82 0.00 0.00 0.00 179.25 180.35 3l1n h ILE 93 N 0.84 1.15 -0.53 0.00 2.04 -1.61 -0.86 117.51 118.54 3l1n h ILE 93 Ca 0.31 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 3l1n h ILE 93 Cb 0.11 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3l1n h ILE 93 CO -0.15 0.15 -0.08 1.56 0.00 0.00 0.00 178.15 179.63 3l1n h GLN 94 N 0.20 0.97 -0.87 2.37 1.08 -1.75 -1.55 115.11 115.57 3l1n h GLN 94 Ca 0.07 -0.33 0.03 0.00 -1.45 0.00 0.00 58.65 56.97 3l1n h GLN 94 Cb 0.15 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.45 3l1n h GLN 94 CO -0.01 1.00 0.56 -0.91 -0.95 0.00 0.00 178.83 178.53 3l1n h ASN 95 N 0.87 0.95 -0.07 1.46 2.35 -0.69 -0.91 115.58 119.53 3l1n h ASN 95 Ca 0.14 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3l1n h ASN 95 Cb 0.62 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3l1n h ASN 95 CO 0.04 0.66 -0.00 0.25 -1.65 0.00 0.00 177.43 176.73 3l1n h LEU 96 N 1.11 0.13 -1.12 1.61 5.85 -0.83 -2.99 115.31 119.06 3l1n h LEU 96 Ca 0.34 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3l1n h LEU 96 Cb -0.03 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3l1n h LEU 96 CO -0.11 0.41 0.60 0.40 -0.34 0.00 0.00 178.44 179.40 3l1n h ILE 97 N -0.15 1.08 -0.13 4.05 2.04 -1.09 -0.79 117.51 122.51 3l1n h ILE 97 Ca 0.02 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3l1n h ILE 97 Cb 0.34 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3l1n h ILE 97 CO 0.00 0.20 0.12 0.44 0.00 0.00 0.00 178.15 178.91 3l1n h ASP 98 N 1.07 0.00 -0.61 1.72 3.32 -1.03 -2.15 116.42 118.74 3l1n h ASP 98 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3l1n h ASP 98 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3l1n h ASP 98 CO -0.15 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.66 3l1n n LYS 99 N -4.06 3.63 -0.20 3.56 4.76 -0.31 -4.63 118.16 120.92 3l1n n LYS 99 Ca 0.00 -2.84 0.00 0.00 -2.87 0.00 0.00 58.31 52.60 3l1n n LYS 99 Cb 0.24 -1.85 0.11 0.00 -1.84 0.00 0.00 35.03 31.69 3l1n n LYS 99 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3l1n h LYS 100 N 3.85 0.29 0.54 1.97 3.64 -1.32 -1.59 116.57 123.95 3l1n h LYS 100 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3l1n h LYS 100 Cb 1.40 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3l1n h LYS 100 CO 0.21 0.19 -0.26 1.49 -2.27 0.00 0.00 179.45 178.82 3l1n h GLU 101 N 0.30 -0.69 -0.38 1.90 4.81 -1.84 -0.50 114.58 118.18 3l1n h GLU 101 Ca 0.31 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3l1n h GLU 101 Cb 0.43 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3l1n h GLU 101 CO -0.37 -0.41 0.24 -1.00 -0.73 0.00 0.00 179.01 176.74 3l1n h PRO 102 N -0.84 0.50 -0.57 0.92 0.13 -1.89 -0.46 132.00 129.79 3l1n h PRO 102 Ca -0.07 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3l1n h PRO 102 Cb 0.60 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 3l1n h PRO 102 CO 0.12 0.34 0.26 -0.07 -0.23 0.00 0.00 178.00 178.42 3l1n h LEU 103 N 0.51 0.76 -0.58 1.56 3.38 -0.98 -0.62 115.31 119.34 3l1n h LEU 103 Ca 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3l1n h LEU 103 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3l1n h LEU 103 CO -0.03 0.69 0.16 0.58 0.09 0.00 0.00 178.44 179.92 3l1n h VAL 104 N 0.78 1.25 0.00 1.22 2.07 -0.68 -0.13 116.25 120.74 3l1n h VAL 104 Ca 0.19 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3l1n h VAL 104 Cb 0.14 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3l1n h VAL 104 CO -0.02 0.32 -0.09 1.56 0.02 0.00 0.00 177.57 179.36 3l1n h GLN 105 N 0.83 0.00 -0.00 1.57 4.20 -0.72 -1.10 115.11 119.89 3l1n h GLN 105 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3l1n h GLN 105 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3l1n h GLN 105 CO -0.00 0.09 -0.21 0.00 -0.67 0.00 0.00 178.83 178.04 3l1n n ALA 106 N -2.40 2.86 -0.46 3.87 0.00 -0.27 -4.93 120.51 119.18 3l1n n ALA 106 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3l1n n ALA 106 Cb 0.18 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3l1n n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3l1n n GLY 107 N 1.48 0.75 0.75 0.00 0.00 -0.42 -4.99 105.19 102.76 3l1n n GLY 107 Ca 0.07 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3l1n n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3l1n n PHE 108 N -2.46 0.25 -0.21 1.61 3.72 -0.10 -4.67 117.46 115.60 3l1n n PHE 108 Ca 0.00 -0.18 -0.05 0.00 -0.05 0.00 0.00 57.45 57.17 3l1n n PHE 108 Cb 0.00 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.58 3l1n n PHE 108 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3l1n h GLY 109 N 3.10 0.85 1.12 1.37 0.00 -1.84 -0.13 103.07 107.55 3l1n h GLY 109 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 3l1n h GLY 109 CO 0.00 0.26 -0.21 -1.33 0.00 0.00 0.00 176.54 175.26 3l1n h GLY 110 N 0.76 1.09 1.12 4.60 0.00 -1.94 -2.12 103.07 106.58 3l1n h GLY 110 Ca 0.23 -0.96 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 3l1n h GLY 110 CO -0.08 0.87 0.09 0.50 0.00 0.00 0.00 176.54 177.92 3l1n h LYS 111 N 0.86 1.07 -0.34 4.80 1.57 -1.78 -0.74 116.57 122.02 3l1n h LYS 111 Ca 0.11 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3l1n h LYS 111 Cb 0.79 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3l1n h LYS 111 CO 0.07 0.99 0.19 0.28 -0.57 0.00 0.00 179.45 180.41 3l1n h VAL 112 N 1.00 1.13 -0.80 0.50 2.07 -0.95 -0.26 116.25 118.94 3l1n h VAL 112 Ca 0.20 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3l1n h VAL 112 Cb 0.45 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3l1n h VAL 112 CO 0.01 0.13 0.52 -0.08 0.02 0.00 0.00 177.57 178.17 3l1n h GLU 113 N 0.43 0.99 -0.22 1.57 4.22 -1.05 0.23 114.58 120.75 3l1n h GLU 113 Ca 0.12 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 3l1n h GLU 113 Cb 0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3l1n h GLU 113 CO -0.02 0.66 0.13 -0.97 -2.18 0.00 0.00 179.01 176.62 3l1n h ASN 114 N 1.02 0.27 -0.73 1.04 -0.73 -0.93 -1.18 115.58 114.34 3l1n h ASN 114 Ca 0.31 -0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.41 3l1n h ASN 114 Cb -0.02 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 3l1n h ASN 114 CO -0.10 0.26 0.42 -1.13 -0.37 0.00 0.00 177.43 176.50 3l1n h ASN 115 N 0.26 0.89 -0.79 1.15 -0.73 -0.58 -1.75 115.58 114.04 3l1n h ASN 115 Ca 0.08 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.14 3l1n h ASN 115 Cb 0.04 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.37 3l1n h ASN 115 CO -0.01 0.71 0.41 -0.07 -0.37 0.00 0.00 177.43 178.10 3l1n h LEU 116 N 1.00 1.02 -1.11 0.34 3.38 -0.76 0.80 115.31 119.97 3l1n h LEU 116 Ca 0.26 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3l1n h LEU 116 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3l1n h LEU 116 CO -0.04 0.84 0.30 0.03 0.09 0.00 0.00 178.44 179.66 3l1n h ARG 117 N 1.13 0.93 -0.54 1.13 3.08 -0.68 0.92 114.38 120.35 3l1n h ARG 117 Ca 0.28 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3l1n h ARG 117 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3l1n h ARG 117 CO -0.04 0.73 -0.01 1.96 -1.07 0.00 0.00 179.97 181.53 3l1n h GLN 118 N 0.93 0.97 -0.68 0.04 4.20 -0.56 -2.19 115.11 117.82 3l1n h GLN 118 Ca 0.23 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3l1n h GLN 118 Cb 0.11 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3l1n h GLN 118 CO -0.03 0.98 0.44 1.96 -0.67 0.00 0.00 178.83 181.52 3l1n h GLN 119 N 0.84 0.91 -0.25 1.46 1.08 -0.35 -1.31 115.11 117.48 3l1n h GLN 119 Ca 0.15 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3l1n h GLN 119 Cb 0.55 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 3l1n h GLN 119 CO 0.03 0.61 0.14 1.49 -0.95 0.00 0.00 178.83 180.16 3l1n h GLU 120 N 0.93 0.29 -0.45 1.46 4.81 -0.68 0.59 114.58 121.53 3l1n h GLU 120 Ca 0.25 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 3l1n h GLU 120 Cb -0.09 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3l1n h GLU 120 CO -0.05 0.19 0.01 0.93 -0.73 0.00 0.00 179.01 179.36 3l1n h GLU 121 N 0.30 0.80 -0.32 1.92 5.08 -1.19 -1.17 114.58 120.00 3l1n h GLU 121 Ca 0.10 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3l1n h GLU 121 Cb -0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3l1n h GLU 121 CO -0.05 0.85 0.03 0.00 -1.00 0.00 0.00 179.01 178.85 3l1n h ALA 122 N 0.91 0.43 -0.82 3.43 0.00 -1.09 -2.25 119.26 119.88 3l1n h ALA 122 Ca 0.13 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3l1n h ALA 122 Cb 0.49 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3l1n h ALA 122 CO 0.02 0.15 0.54 0.00 0.00 0.00 0.00 179.25 179.97 3l1n h ALA 123 N 0.87 1.05 -0.59 0.00 0.00 -0.82 -1.57 119.26 118.22 3l1n h ALA 123 Ca 0.10 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3l1n h ALA 123 Cb 0.39 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3l1n h ALA 123 CO 0.01 0.43 0.33 1.96 0.00 0.00 0.00 179.25 181.98 3l1n h GLN 124 N 1.09 0.61 -0.42 0.00 4.20 -1.05 0.12 115.11 119.67 3l1n h GLN 124 Ca 0.31 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 3l1n h GLN 124 Cb -0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3l1n h GLN 124 CO -0.08 0.40 0.10 0.87 -0.67 0.00 0.00 178.83 179.46 3l1n h LYS 125 N 0.63 0.67 -0.40 1.46 1.57 -0.85 -0.57 116.57 119.08 3l1n h LYS 125 Ca 0.25 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 3l1n h LYS 125 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3l1n h LYS 125 CO -0.15 0.69 -0.30 1.25 -0.57 0.00 0.00 179.45 180.38 3l1n h LEU 126 N 0.54 0.92 -0.69 2.94 5.85 -1.12 -2.16 115.31 121.58 3l1n h LEU 126 Ca 0.13 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3l1n h LEU 126 Cb 0.32 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3l1n h LEU 126 CO 0.00 1.14 0.44 0.28 -0.34 0.00 0.00 178.44 179.96 3l1n h SER 127 N 0.74 0.72 -0.03 1.25 0.02 -0.58 -0.38 113.55 115.30 3l1n h SER 127 Ca 0.08 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3l1n h SER 127 Cb 0.86 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3l1n h SER 127 CO 0.08 0.50 -0.04 -0.08 -1.14 0.00 0.00 176.83 176.15 3l1n h GLU 128 N 0.86 -0.05 -0.28 3.45 4.22 -0.94 -1.40 114.58 120.44 3l1n h GLU 128 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.72 3l1n h GLU 128 Cb -0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3l1n h GLU 128 CO -0.10 -0.03 0.18 1.25 -2.18 0.00 0.00 179.01 178.13 3l1n h LEU 129 N -0.05 0.32 -1.10 1.64 5.85 -1.07 -2.32 115.31 118.58 3l1n h LEU 129 Ca 0.03 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3l1n h LEU 129 Cb 0.09 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3l1n h LEU 129 CO -0.07 0.24 0.61 0.58 -0.34 0.00 0.00 178.44 179.46 3l1n h VAL 130 N 0.38 1.10 -0.08 1.05 2.07 -0.92 -0.67 116.25 119.18 3l1n h VAL 130 Ca 0.10 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3l1n h VAL 130 Cb -0.03 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.63 3l1n h VAL 130 CO -0.02 0.20 0.07 0.77 0.02 0.00 0.00 177.57 178.61 3l1n h SER 131 N 1.10 0.00 0.94 0.57 4.64 -0.69 -0.73 113.55 119.38 3l1n h SER 131 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3l1n h SER 131 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3l1n h SER 131 CO -0.14 0.00 -0.28 0.35 -0.87 0.00 0.00 176.83 175.88 3l1n n THR 132 N -4.15 0.22 0.50 2.95 -2.24 -0.27 -4.04 114.28 107.26 3l1n n THR 132 Ca -0.01 -0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 3l1n n THR 132 Cb 0.18 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 3l1n n THR 132 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3l1n n LYS 133 N -1.82 2.99 -2.85 -0.78 4.76 -0.34 -4.99 118.16 115.13 3l1n n LYS 133 Ca 0.05 -0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.10 3l1n n LYS 133 Cb 0.38 -1.06 -0.06 0.00 -1.84 0.00 0.00 35.03 32.45 3l1n n LYS 133 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3l1n s VAL 134 N -2.14 4.24 0.60 -0.18 1.01 -0.84 -5.03 120.40 118.05 3l1n s VAL 134 Ca 0.04 1.83 -0.19 0.00 0.00 0.00 0.00 61.98 63.66 3l1n s VAL 134 Cb 0.09 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3l1n s VAL 134 CO 0.47 0.36 1.27 -2.16 0.00 0.00 0.00 175.10 175.05 3l1n s PRO 135 N -1.53 2.88 0.34 2.72 0.04 -1.26 -4.85 135.00 133.34 3l1n s PRO 135 Ca 0.43 2.00 0.10 0.00 0.04 0.00 0.00 61.00 63.57 3l1n s PRO 135 Cb -0.22 -1.98 0.88 0.00 0.04 0.00 0.00 34.50 33.21 3l1n s PRO 135 CO 0.27 -1.32 1.79 1.25 0.04 0.00 0.00 177.00 179.02 3l1n h HIS 136 N 0.92 0.90 0.00 0.56 2.76 -1.97 0.10 115.15 118.43 3l1n h HIS 136 Ca -0.51 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3l1n h HIS 136 Cb 1.31 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.00 3l1n h HIS 136 CO 0.45 0.18 0.00 -0.85 -1.30 0.00 0.00 177.93 176.40 3l1n n GLU 137 N -4.71 0.01 -0.16 5.26 0.00 -1.26 -2.37 120.64 117.42 3l1n n GLU 137 Ca 0.23 0.15 0.08 0.00 0.00 0.00 0.00 57.16 57.62 3l1n n GLU 137 Cb 0.66 -1.52 0.16 0.00 0.00 0.00 0.00 31.44 30.74 3l1n n GLU 137 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3l1n n LEU 138 N -1.54 2.93 -0.09 -1.84 4.77 0.02 -4.71 117.00 116.54 3l1n n LEU 138 Ca 0.05 -1.64 -0.06 0.00 -0.03 0.00 0.00 56.01 54.33 3l1n n LEU 138 Cb 0.25 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3l1n n LEU 138 CO 0.20 0.67 0.86 0.00 -1.33 0.00 0.00 177.39 177.79 3l1n h ALA 139 N 2.90 0.29 -0.24 -1.18 0.00 -1.40 -1.03 119.26 118.60 3l1n h ALA 139 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3l1n h ALA 139 Cb 0.76 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3l1n h ALA 139 CO 0.00 -0.39 -0.26 -0.44 0.00 0.00 0.00 179.25 178.16 3l1n h ASP 140 N 0.11 0.64 -0.61 0.00 3.32 -1.84 -1.28 116.42 116.75 3l1n h ASP 140 Ca 0.15 -0.48 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 3l1n h ASP 140 Cb 0.20 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3l1n h ASP 140 CO -0.24 0.99 0.12 -0.29 -1.72 0.00 0.00 179.24 178.09 3l1n h ILE 141 N 0.30 1.26 -0.39 0.35 2.10 -1.86 0.62 117.51 119.88 3l1n h ILE 141 Ca 0.04 -0.98 -0.05 0.00 1.08 0.00 0.00 64.86 64.94 3l1n h ILE 141 Cb 0.82 0.64 -0.02 0.00 -1.09 0.00 0.00 36.82 37.17 3l1n h ILE 141 CO 0.06 0.37 0.04 -1.28 -1.08 0.00 0.00 178.15 176.27 3l1n h SER 142 N 0.97 0.64 -0.61 2.19 0.87 -1.18 -2.38 113.55 114.06 3l1n h SER 142 Ca 0.20 -0.28 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 3l1n h SER 142 Cb 0.40 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3l1n h SER 142 CO 0.01 0.76 0.19 -0.09 -0.53 0.00 0.00 176.83 177.17 3l1n h ARG 143 N 0.51 0.98 -0.70 2.24 9.65 -0.98 -2.18 114.38 123.89 3l1n h ARG 143 Ca 0.12 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.82 3l1n h ARG 143 Cb 0.40 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 3l1n h ARG 143 CO 0.01 0.85 0.44 0.37 2.80 0.00 0.00 179.97 184.44 3l1n h GLN 144 N 0.95 0.85 -0.19 0.20 4.15 -0.73 0.21 115.11 120.54 3l1n h GLN 144 Ca 0.21 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 3l1n h GLN 144 Cb 0.28 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3l1n h GLN 144 CO -0.01 0.56 0.04 1.25 -1.93 0.00 0.00 178.83 178.74 3l1n h LEU 145 N 0.87 0.30 -0.65 -2.39 5.85 -1.09 -1.65 115.31 116.55 3l1n h LEU 145 Ca 0.28 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3l1n h LEU 145 Cb -0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3l1n h LEU 145 CO -0.10 0.48 -0.08 0.77 -0.34 0.00 0.00 178.44 179.17 3l1n h SER 146 N 0.11 0.97 -0.93 1.25 4.64 -1.21 -2.68 113.55 115.71 3l1n h SER 146 Ca 0.06 -0.30 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3l1n h SER 146 Cb 0.30 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 3l1n h SER 146 CO 0.00 1.07 0.58 0.44 -0.87 0.00 0.00 176.83 178.05 3l1n h ASP 147 N 0.88 1.10 -0.54 4.97 3.32 -0.53 -0.14 116.42 125.49 3l1n h ASP 147 Ca 0.15 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3l1n h ASP 147 Cb 0.62 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3l1n h ASP 147 CO 0.04 0.83 0.29 1.23 -1.72 0.00 0.00 179.24 179.92 3l1n h GLY 148 N 1.28 0.81 0.92 2.75 0.00 -1.11 0.23 103.07 107.95 3l1n h GLY 148 Ca 0.34 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3l1n h GLY 148 CO -0.07 0.36 0.05 -2.22 0.00 0.00 0.00 176.54 174.67 3l1n h ILE 149 N 0.72 1.24 -0.69 2.60 2.04 -1.25 -1.80 117.51 120.36 3l1n h ILE 149 Ca 0.19 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.24 3l1n h ILE 149 Cb 0.06 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3l1n h ILE 149 CO -0.03 0.29 0.41 0.00 0.00 0.00 0.00 178.15 178.82 3l1n h ALA 150 N 0.91 0.93 -0.64 1.87 0.00 -0.75 -0.37 119.26 121.21 3l1n h ALA 150 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3l1n h ALA 150 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3l1n h ALA 150 CO 0.01 0.12 0.23 0.00 0.00 0.00 0.00 179.25 179.60 3l1n h ALA 151 N 1.34 1.19 -0.29 0.00 0.00 -0.85 -1.63 119.26 119.01 3l1n h ALA 151 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3l1n h ALA 151 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3l1n h ALA 151 CO -0.16 0.58 0.14 0.78 0.00 0.00 0.00 179.25 180.59 3l1n h GLY 152 N 1.03 0.46 1.02 0.00 0.00 -0.42 -1.49 103.07 103.68 3l1n h GLY 152 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3l1n h GLY 152 CO -0.01 0.22 0.57 -2.22 0.00 0.00 0.00 176.54 175.09 3l1n h ILE 153 N 0.34 1.26 -0.79 2.60 2.04 -0.89 -1.86 117.51 120.21 3l1n h ILE 153 Ca 0.10 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3l1n h ILE 153 Cb 0.13 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 3l1n h ILE 153 CO -0.01 0.27 0.40 0.50 0.00 0.00 0.00 178.15 179.31 3l1n h LYS 154 N 1.30 1.12 -0.66 2.37 1.63 -1.11 -0.14 116.57 121.08 3l1n h LYS 154 Ca 0.34 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3l1n h LYS 154 Cb -0.06 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.33 3l1n h LYS 154 CO -0.06 0.85 0.41 -0.22 -3.45 0.00 0.00 179.45 176.97 3l1n h LYS 155 N 1.12 0.89 0.04 1.90 3.64 -0.63 -0.04 116.57 123.48 3l1n h LYS 155 Ca 0.28 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3l1n h LYS 155 Cb 0.08 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3l1n h LYS 155 CO -0.04 0.62 -0.10 0.78 -2.27 0.00 0.00 179.45 178.44 3l1n h GLY 156 N 0.90 -0.15 0.50 5.01 0.00 -0.66 -2.58 103.07 106.08 3l1n h GLY 156 Ca 0.24 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.76 3l1n h GLY 156 CO -0.05 -0.11 0.16 -2.22 0.00 0.00 0.00 176.54 174.33 3l1n h ILE 157 N -0.19 0.81 0.00 2.60 2.04 -0.74 -1.69 117.51 120.34 3l1n h ILE 157 Ca 0.02 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3l1n h ILE 157 Cb 0.22 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3l1n h ILE 157 CO -0.07 0.06 0.00 0.47 0.00 0.00 0.00 178.15 178.61 3l1n n ASP 158 N -5.02 0.66 0.04 1.72 8.00 -0.06 -1.86 116.55 120.04 3l1n n ASP 158 Ca 0.05 0.72 0.12 0.00 0.71 0.00 0.00 54.79 56.39 3l1n n ASP 158 Cb 0.21 -0.84 0.12 0.00 -0.02 0.00 0.00 41.12 40.59 3l1n n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3l1n n ALA 159 N -1.79 3.14 -0.07 2.24 0.00 -0.64 -5.09 120.51 118.29 3l1n n ALA 159 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3l1n n ALA 159 Cb 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3l1n n ALA 159 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69