#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pne n GLY 2 N 0.00 1.45 0.27 0.00 0.00 -1.26 -4.91 105.19 100.74 1pne n GLY 2 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1pne n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1pne h TRP 3 N 0.00 0.00 0.00 1.61 4.06 -2.03 -2.49 115.95 117.10 1pne h TRP 3 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1pne h TRP 3 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1pne h TRP 3 CO 0.00 0.00 0.00 -1.71 -3.56 0.00 0.00 178.44 173.17 1pne n ASN 4 N -2.92 0.00 0.03 -3.49 5.15 -1.26 -2.31 115.26 110.45 1pne n ASN 4 Ca -0.00 0.45 -0.07 0.00 -0.60 0.00 0.00 54.58 54.37 1pne n ASN 4 Cb 0.23 -0.48 0.12 0.00 -0.53 0.00 0.00 39.78 39.11 1pne n ASN 4 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pne h ALA 5 N 2.69 0.86 -0.36 5.20 0.00 -1.87 -1.43 119.26 124.35 1pne h ALA 5 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1pne h ALA 5 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pne h ALA 5 CO 0.00 0.66 -0.20 1.88 0.00 0.00 0.00 179.25 181.59 1pne h TYR 6 N 0.37 0.76 -0.37 0.00 0.05 -1.67 -2.32 116.97 113.79 1pne h TYR 6 Ca 0.02 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.61 1pne h TYR 6 Cb 0.97 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 1pne h TYR 6 CO 0.03 0.83 0.10 0.82 -1.05 0.00 0.00 178.16 178.88 1pne h ILE 7 N 0.60 1.22 -0.69 -2.88 1.08 -1.53 -1.88 117.51 113.43 1pne h ILE 7 Ca 0.09 -0.75 0.10 0.00 -0.39 0.00 0.00 64.86 63.91 1pne h ILE 7 Cb 0.67 1.01 -0.07 0.00 -3.07 0.00 0.00 36.82 35.35 1pne h ILE 7 CO 0.05 0.26 0.31 0.44 -0.69 0.00 0.00 178.15 178.52 1pne h ASP 8 N 0.45 0.38 0.27 1.72 3.32 -0.96 -0.64 116.42 120.96 1pne h ASP 8 Ca 0.12 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1pne h ASP 8 Cb 0.30 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1pne h ASP 8 CO 0.00 0.21 -0.13 -1.13 -1.72 0.00 0.00 179.24 176.47 1pne h ASN 9 N 0.53 -0.31 -0.66 6.45 -1.24 -1.12 -0.55 115.58 118.67 1pne h ASN 9 Ca 0.35 -0.03 0.11 0.00 0.71 0.00 0.00 56.30 57.44 1pne h ASN 9 Cb 0.40 0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.49 1pne h ASN 9 CO -0.29 -0.18 0.44 -0.07 -1.29 0.00 0.00 177.43 176.04 1pne h LEU 10 N -0.42 0.41 -0.15 0.34 3.38 -0.77 -0.53 115.31 117.57 1pne h LEU 10 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pne h LEU 10 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1pne h LEU 10 CO 0.06 0.24 -0.30 0.23 0.09 0.00 0.00 178.44 178.76 1pne n MET 11 N -4.48 0.30 -0.37 1.13 2.81 -0.30 -4.50 117.12 111.72 1pne n MET 11 Ca 0.11 -0.15 -0.01 0.00 -1.81 0.00 0.00 57.70 55.84 1pne n MET 11 Cb 0.40 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.54 1pne n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pne h ALA 12 N 3.26 1.28 0.00 3.04 0.00 0.56 -3.00 119.26 124.40 1pne h ALA 12 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pne h ALA 12 Cb 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pne h ALA 12 CO 0.00 0.61 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1pne n ASP 13 N -4.41 0.03 -0.03 0.00 5.68 -1.26 -4.93 116.55 111.62 1pne n ASP 13 Ca 0.12 0.50 -0.00 0.00 -0.50 0.00 0.00 54.79 54.91 1pne n ASP 13 Cb 0.04 -0.51 -0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1pne n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pne n GLY 14 N 1.24 0.47 0.00 6.12 0.00 -1.13 -4.89 105.19 106.99 1pne n GLY 14 Ca 0.06 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1pne n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pne n THR 15 N -2.96 0.00 -4.15 2.61 -2.24 -1.26 -4.96 114.28 101.31 1pne n THR 15 Ca -0.00 -0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 1pne n THR 15 Cb 0.03 0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 69.10 1pne n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pne n GLN 17 N 0.87 4.23 -3.60 0.00 10.64 0.61 -4.73 117.38 125.39 1pne n GLN 17 Ca -0.12 -0.01 -0.12 0.00 -1.83 0.00 0.00 57.00 54.92 1pne n GLN 17 Cb 0.52 -0.83 -0.05 0.00 -0.86 0.00 0.00 30.24 29.02 1pne n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1pne s ASP 18 N -1.74 -0.35 -0.11 2.61 -1.08 -1.13 -5.00 116.67 109.87 1pne s ASP 18 Ca 0.01 -0.02 -0.30 0.00 -0.52 0.00 0.00 52.55 51.72 1pne s ASP 18 Cb 0.04 0.48 0.11 0.00 -1.46 0.00 0.00 42.92 42.09 1pne s ASP 18 CO 0.23 -0.76 0.89 0.00 0.52 0.00 0.00 175.17 176.05 1pne s ALA 19 N -2.93 -1.87 0.03 3.66 0.00 -1.26 -1.30 121.76 118.09 1pne s ALA 19 Ca -0.03 1.45 -0.25 0.00 0.00 0.00 0.00 51.96 53.13 1pne s ALA 19 Cb -0.00 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.79 1pne s ALA 19 CO -0.06 -0.36 0.58 0.00 0.00 0.00 0.00 175.76 175.92 1pne s ALA 20 N -1.34 -1.50 -0.19 0.00 0.00 -0.40 -2.73 121.76 115.61 1pne s ALA 20 Ca -0.04 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1pne s ALA 20 Cb -0.00 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1pne s ALA 20 CO 0.03 -0.50 -0.14 0.42 0.00 0.00 0.00 175.76 175.57 1pne s ILE 21 N -2.22 1.79 -0.14 0.00 1.01 0.12 -1.19 121.20 120.57 1pne s ILE 21 Ca -0.06 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1pne s ILE 21 Cb -0.01 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1pne s ILE 21 CO 0.00 0.31 -0.18 -0.69 0.00 0.00 0.00 174.94 174.39 1pne s VAL 22 N 1.36 1.77 0.17 2.92 1.01 0.06 -0.26 120.40 127.44 1pne s VAL 22 Ca 0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1pne s VAL 22 Cb -0.15 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 1pne s VAL 22 CO -0.10 0.49 1.13 -0.83 0.00 0.00 0.00 175.10 175.80 1pne s GLY 23 N 1.14 2.77 0.00 4.51 0.00 -0.20 -0.72 107.32 114.82 1pne s GLY 23 Ca -0.01 0.85 0.08 0.00 0.00 0.00 0.00 44.72 45.65 1pne s GLY 23 CO -0.06 1.74 0.47 1.58 0.00 0.00 0.00 173.10 176.83 1pne n TYR 24 N 2.53 0.00 -2.41 1.90 4.11 -0.94 -2.45 117.16 119.90 1pne n TYR 24 Ca 0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.63 1pne n TYR 24 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.78 1pne n TYR 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1pne s LYS 25 N -1.51 3.73 2.75 -3.48 -0.14 -1.26 -4.53 119.74 115.30 1pne s LYS 25 Ca 0.05 0.63 0.00 0.00 -1.36 0.00 0.00 55.97 55.29 1pne s LYS 25 Cb 0.07 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 1pne s LYS 25 CO 0.28 -0.28 0.00 -0.25 -0.76 0.00 0.00 175.35 174.34 1pne n ASP 26 N -1.97 0.00 -4.32 2.83 8.00 -1.26 -3.80 116.55 116.04 1pne n ASP 26 Ca 0.04 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.16 1pne n ASP 26 Cb 0.54 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.52 1pne n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1pne s SER 27 N -4.00 5.33 0.46 -2.24 0.15 -1.26 -5.07 113.70 107.07 1pne s SER 27 Ca 0.00 -0.94 -0.24 0.00 0.70 0.00 0.00 55.95 55.47 1pne s SER 27 Cb 0.00 -1.91 -0.07 0.00 -1.71 0.00 0.00 66.02 62.33 1pne s SER 27 CO 0.00 -0.29 1.32 -2.84 1.20 0.00 0.00 173.24 172.64 1pne s PRO 28 N 1.47 3.65 -0.04 5.44 0.02 -1.25 -4.88 135.00 139.41 1pne s PRO 28 Ca 0.01 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.91 1pne s PRO 28 Cb -0.19 -2.54 0.10 0.00 0.02 0.00 0.00 34.50 31.89 1pne s PRO 28 CO 0.03 -0.76 0.82 -1.54 -0.33 0.00 0.00 177.00 175.22 1pne s SER 29 N -0.85 -0.48 -0.09 2.53 1.04 -1.03 -4.69 113.70 110.14 1pne s SER 29 Ca 0.63 0.30 -0.30 0.00 0.48 0.00 0.00 55.95 57.07 1pne s SER 29 Cb -0.38 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 1pne s SER 29 CO 0.48 -0.59 1.10 -0.69 0.98 0.00 0.00 173.24 174.52 1pne s VAL 30 N -2.13 4.53 -0.01 5.02 1.01 -1.26 -1.03 120.40 126.52 1pne s VAL 30 Ca -0.02 1.83 0.04 0.00 0.00 0.00 0.00 61.98 63.83 1pne s VAL 30 Cb -0.01 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.95 1pne s VAL 30 CO -0.02 -0.02 0.80 -0.50 0.00 0.00 0.00 175.10 175.37 1pne h TRP 31 N 7.32 0.22 -1.80 5.22 4.06 -0.99 -3.48 115.95 126.50 1pne h TRP 31 Ca -0.31 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 60.49 1pne h TRP 31 Cb 1.15 -0.01 -0.22 0.00 -1.00 0.00 0.00 29.16 29.07 1pne h TRP 31 CO 0.73 1.22 0.32 0.00 -3.56 0.00 0.00 178.44 177.15 1pne s ALA 32 N -2.62 -1.86 0.32 1.49 0.00 -1.08 -4.77 121.76 113.23 1pne s ALA 32 Ca -0.07 1.71 -0.19 0.00 0.00 0.00 0.00 51.96 53.41 1pne s ALA 32 Cb 0.08 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.39 1pne s ALA 32 CO 0.83 -0.31 0.78 0.00 0.00 0.00 0.00 175.76 177.05 1pne s ALA 33 N -0.39 -1.03 -0.37 0.00 0.00 -1.26 -0.70 121.76 118.01 1pne s ALA 33 Ca -0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 1pne s ALA 33 Cb -0.03 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1pne s ALA 33 CO 0.02 -1.02 0.84 0.08 0.00 0.00 0.00 175.76 175.68 1pne s VAL 34 N -3.04 4.67 0.40 0.00 1.01 -1.10 -5.00 120.40 117.34 1pne s VAL 34 Ca 0.14 1.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.85 1pne s VAL 34 Cb -0.05 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 1pne s VAL 34 CO 0.09 -0.48 1.34 -2.65 0.00 0.00 0.00 175.10 173.41 1pne n PRO 35 N 6.56 2.17 -0.57 2.72 -0.02 -1.26 -2.83 135.00 141.78 1pne n PRO 35 Ca 0.05 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1pne n PRO 35 Cb 0.48 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1pne n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pne n GLY 36 N 0.69 1.28 0.00 -1.23 0.00 -1.26 -5.01 105.19 99.67 1pne n GLY 36 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pne n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pne n LYS 37 N -2.00 3.36 -0.12 1.61 5.02 -1.13 -5.10 118.16 119.80 1pne n LYS 37 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1pne n LYS 37 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1pne n LYS 37 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1pne n THR 38 N 0.00 1.55 0.26 -0.18 -1.04 -1.26 -4.54 114.28 109.06 1pne n THR 38 Ca 0.00 -0.32 0.08 0.00 -2.04 0.00 0.00 64.05 61.77 1pne n THR 38 Cb 0.00 -1.87 0.63 0.00 -1.82 0.00 0.00 70.33 67.27 1pne n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1pne h PHE 39 N -0.81 0.00 -0.01 -1.42 0.04 -1.89 -2.16 116.94 110.69 1pne h PHE 39 Ca -0.57 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.21 1pne h PHE 39 Cb 1.59 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.74 1pne h PHE 39 CO -0.01 0.03 0.01 -0.24 -0.60 0.00 0.00 178.31 177.51 1pne h VAL 40 N 0.00 0.58 -0.37 -0.55 3.04 -1.80 -1.59 116.25 115.57 1pne h VAL 40 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1pne h VAL 40 Cb 0.06 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1pne h VAL 40 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 1pne n ASN 41 N -3.93 2.18 -4.74 3.17 3.02 -0.81 -4.95 115.26 109.19 1pne n ASN 41 Ca -0.03 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 1pne n ASN 41 Cb 0.10 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 1pne n ASN 41 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1pne n ILE 42 N 0.68 1.03 -4.12 2.41 5.41 -0.60 -4.38 119.36 119.79 1pne n ILE 42 Ca 0.15 -0.26 -0.22 0.00 1.00 0.00 0.00 62.75 63.41 1pne n ILE 42 Cb 0.36 -1.95 -0.05 0.00 -0.71 0.00 0.00 39.64 37.29 1pne n ILE 42 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1pne s THR 43 N -0.02 4.39 0.48 1.39 -4.23 -1.26 -4.81 115.64 111.59 1pne s THR 43 Ca 0.64 -1.41 0.16 0.00 -1.18 0.00 0.00 61.69 59.90 1pne s THR 43 Cb -0.50 -3.36 0.31 0.00 1.34 0.00 0.00 72.50 70.29 1pne s THR 43 CO 0.49 -0.33 2.06 -0.65 -0.54 0.00 0.00 174.62 175.65 1pne h PRO 44 N 1.59 0.19 -0.46 3.99 0.11 -1.95 -0.60 132.00 134.87 1pne h PRO 44 Ca -0.48 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1pne h PRO 44 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1pne h PRO 44 CO 0.61 0.13 -0.21 0.00 -0.21 0.00 0.00 178.00 178.31 1pne h ALA 45 N 1.83 0.75 -0.17 -0.75 0.00 -1.97 -0.15 119.26 118.80 1pne h ALA 45 Ca 0.14 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1pne h ALA 45 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pne h ALA 45 CO -0.02 0.66 -0.37 0.93 0.00 0.00 0.00 179.25 180.45 1pne h GLU 46 N 0.81 0.37 -0.10 0.00 5.08 -1.49 -2.49 114.58 116.76 1pne h GLU 46 Ca 0.11 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1pne h GLU 46 Cb 0.77 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1pne h GLU 46 CO 0.06 0.69 -0.45 0.28 -1.00 0.00 0.00 179.01 178.59 1pne h VAL 47 N 0.31 1.33 -0.16 3.13 2.07 -0.79 -2.66 116.25 119.48 1pne h VAL 47 Ca 0.03 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 1pne h VAL 47 Cb 0.79 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1pne h VAL 47 CO 0.06 0.48 -0.17 1.23 0.02 0.00 0.00 177.57 179.19 1pne h GLY 48 N 1.27 0.28 1.05 2.17 0.00 -0.58 -2.34 103.07 104.92 1pne h GLY 48 Ca 0.01 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 1pne h GLY 48 CO 0.07 0.17 -0.85 -2.22 0.00 0.00 0.00 176.54 173.71 1pne h ILE 49 N 0.25 1.33 -0.58 2.60 2.04 -1.30 -0.65 117.51 121.20 1pne h ILE 49 Ca 0.05 -2.15 0.02 0.00 1.00 0.00 0.00 64.86 63.77 1pne h ILE 49 Cb 0.45 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 1pne h ILE 49 CO 0.03 0.65 0.37 -0.07 0.00 0.00 0.00 178.15 179.13 1pne h LEU 50 N 0.22 0.62 -2.50 1.44 3.38 -1.27 -2.23 115.31 114.97 1pne h LEU 50 Ca -0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pne h LEU 50 Cb 1.52 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1pne h LEU 50 CO 0.17 0.44 0.00 1.33 0.09 0.00 0.00 178.44 180.47 1pne n VAL 51 N -4.72 1.25 -1.03 1.22 0.24 -0.90 -5.01 118.33 109.39 1pne n VAL 51 Ca 0.04 -0.92 -0.28 0.00 -2.04 0.00 0.00 64.34 61.14 1pne n VAL 51 Cb 0.05 0.19 0.20 0.00 -1.47 0.00 0.00 33.84 32.81 1pne n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pne s GLY 52 N -0.89 1.55 0.08 7.63 0.00 -0.25 -4.99 107.32 110.45 1pne s GLY 52 Ca 0.42 -0.34 -0.01 0.00 0.00 0.00 0.00 44.72 44.79 1pne s GLY 52 CO 0.23 0.31 1.16 0.07 0.00 0.00 0.00 173.10 174.87 1pne h LYS 53 N -2.10 0.19 -6.63 2.90 2.10 -1.88 -3.41 116.57 107.73 1pne h LYS 53 Ca -0.57 -0.33 -0.56 0.00 -2.00 0.00 0.00 60.65 57.19 1pne h LYS 53 Cb 1.34 0.12 -0.06 0.00 -0.90 0.00 0.00 32.23 32.72 1pne h LYS 53 CO 0.56 1.15 0.99 0.34 -2.00 0.00 0.00 179.45 180.48 1pne s ASP 54 N -7.01 6.52 -0.23 7.07 -1.08 -1.26 -4.85 116.67 115.83 1pne s ASP 54 Ca -0.03 0.63 0.11 0.00 -0.52 0.00 0.00 52.55 52.74 1pne s ASP 54 Cb 0.08 -2.55 0.45 0.00 -1.46 0.00 0.00 42.92 39.44 1pne s ASP 54 CO 0.86 -1.32 1.31 0.54 0.52 0.00 0.00 175.17 177.08 1pne n ARG 55 N 7.92 1.69 0.02 4.34 1.74 -1.26 -4.68 116.66 126.43 1pne n ARG 55 Ca 0.14 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 1pne n ARG 55 Cb 0.49 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1pne n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1pne n SER 56 N -1.13 0.22 -0.28 0.55 7.64 -1.26 -4.82 113.62 114.55 1pne n SER 56 Ca 0.24 0.05 0.19 0.00 1.01 0.00 0.00 58.87 60.36 1pne n SER 56 Cb 0.82 -0.05 0.49 0.00 -1.01 0.00 0.00 64.21 64.45 1pne n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1pne h SER 57 N 0.00 0.46 0.55 6.43 0.02 -2.00 0.39 113.55 119.40 1pne h SER 57 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1pne h SER 57 Cb 0.64 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1pne h SER 57 CO 0.00 0.16 0.00 2.22 -1.14 0.00 0.00 176.83 178.07 1pne n PHE 58 N -4.56 0.78 0.22 3.45 1.16 -1.26 -0.60 117.46 116.65 1pne n PHE 58 Ca 0.21 0.33 0.11 0.00 -1.87 0.00 0.00 57.45 56.23 1pne n PHE 58 Cb 0.73 -1.03 0.43 0.00 -1.61 0.00 0.00 39.48 38.00 1pne n PHE 58 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1pne h PHE 59 N 0.00 0.00 0.00 2.97 0.04 -1.23 0.79 116.94 119.52 1pne h PHE 59 Ca 0.00 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.34 1pne h PHE 59 Cb 0.27 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 1pne h PHE 59 CO 0.00 0.19 -2.37 0.28 -0.60 0.00 0.00 178.31 175.81 1pne n VAL 60 N -3.30 1.53 0.60 -0.55 0.31 -0.38 -4.61 118.33 111.93 1pne n VAL 60 Ca 0.01 -0.36 0.12 0.00 -0.01 0.00 0.00 64.34 64.10 1pne n VAL 60 Cb 0.44 -1.86 0.24 0.00 -0.91 0.00 0.00 33.84 31.76 1pne n VAL 60 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1pne n ASN 61 N -4.17 0.73 -0.37 4.52 5.03 0.23 -5.07 115.26 116.15 1pne n ASN 61 Ca -0.51 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.19 1pne n ASN 61 Cb 0.87 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.51 1pne n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pne n GLY 62 N 1.33 -1.57 3.75 7.41 0.00 0.27 -5.00 105.19 111.39 1pne n GLY 62 Ca 0.04 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 1pne n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pne s LEU 63 N 0.00 -0.14 0.12 0.99 0.05 -0.56 -4.62 118.68 114.53 1pne s LEU 63 Ca 0.00 -0.62 0.11 0.00 0.05 0.00 0.00 54.13 53.67 1pne s LEU 63 Cb 0.00 2.49 -0.04 0.00 -2.05 0.00 0.00 46.19 46.59 1pne s LEU 63 CO 0.00 -1.26 -0.26 0.42 -0.55 0.00 0.00 176.35 174.70 1pne s THR 64 N -3.92 2.31 -0.14 5.48 -4.23 -1.26 0.27 115.64 114.14 1pne s THR 64 Ca 0.12 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1pne s THR 64 Cb -0.04 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.83 1pne s THR 64 CO 0.05 0.11 0.02 -0.76 -0.54 0.00 0.00 174.62 173.51 1pne s LEU 65 N -2.01 0.89 -1.49 4.79 1.43 -0.18 -4.74 118.68 117.37 1pne s LEU 65 Ca 0.14 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1pne s LEU 65 Cb -0.10 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.61 1pne s LEU 65 CO 0.06 -0.26 0.09 0.61 0.23 0.00 0.00 176.35 177.08 1pne n GLY 66 N 5.10 -0.36 2.46 -3.19 0.00 -1.26 -1.52 105.19 106.42 1pne n GLY 66 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1pne n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pne n GLY 67 N -1.08 2.45 3.69 -0.02 0.00 -1.26 -4.83 105.19 104.14 1pne n GLY 67 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1pne n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pne s GLN 68 N -0.21 4.42 0.19 1.61 2.00 -0.58 -4.98 119.66 122.12 1pne s GLN 68 Ca 0.00 1.17 -0.30 0.00 -2.00 0.00 0.00 55.36 54.23 1pne s GLN 68 Cb 0.00 -3.51 -0.08 0.00 0.80 0.00 0.00 33.01 30.22 1pne s GLN 68 CO 0.00 -0.17 1.27 0.15 -0.50 0.00 0.00 175.29 176.04 1pne s LYS 69 N 1.53 4.42 0.08 1.67 -0.14 -1.26 -1.01 119.74 125.03 1pne s LYS 69 Ca 0.44 2.00 0.00 0.00 -1.36 0.00 0.00 55.97 57.05 1pne s LYS 69 Cb -0.18 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 1pne s LYS 69 CO 0.19 -0.20 -0.05 0.00 -0.76 0.00 0.00 175.35 174.53 1pne s SER 71 N -2.99 3.64 -0.16 0.00 1.04 0.50 -1.50 113.70 114.23 1pne s SER 71 Ca 0.10 -0.36 -0.20 0.00 0.48 0.00 0.00 55.95 55.97 1pne s SER 71 Cb 0.07 -0.60 -0.03 0.00 0.10 0.00 0.00 66.02 65.55 1pne s SER 71 CO -0.07 0.31 0.57 -0.69 0.98 0.00 0.00 173.24 174.34 1pne s VAL 72 N -0.76 5.09 -0.21 5.02 1.01 -1.26 -1.66 120.40 127.62 1pne s VAL 72 Ca 0.12 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 63.02 1pne s VAL 72 Cb -0.10 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 1pne s VAL 72 CO 0.02 0.20 0.01 -0.38 0.00 0.00 0.00 175.10 174.95 1pne n ILE 73 N 4.29 1.51 -3.79 2.22 2.08 0.11 -4.88 119.36 120.90 1pne n ILE 73 Ca -0.04 -0.05 -0.13 0.00 0.56 0.00 0.00 62.75 63.10 1pne n ILE 73 Cb 0.51 -2.08 -0.10 0.00 -0.75 0.00 0.00 39.64 37.22 1pne n ILE 73 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pne s ARG 74 N -2.40 0.53 -0.21 0.38 1.70 -1.00 -4.98 118.95 112.97 1pne s ARG 74 Ca -0.29 -0.04 -0.01 0.00 -0.47 0.00 0.00 55.73 54.93 1pne s ARG 74 Cb 0.07 0.24 0.06 0.00 -0.57 0.00 0.00 34.95 34.74 1pne s ARG 74 CO 0.50 -0.12 -0.03 0.34 -1.08 0.00 0.00 175.30 174.91 1pne s ASP 75 N -0.86 3.33 -0.07 -2.89 2.15 -1.26 -0.99 116.67 116.08 1pne s ASP 75 Ca -0.09 -0.95 0.12 0.00 0.43 0.00 0.00 52.55 52.06 1pne s ASP 75 Cb -0.05 -0.94 0.23 0.00 -0.30 0.00 0.00 42.92 41.87 1pne s ASP 75 CO 0.02 -0.25 1.11 -1.20 -0.17 0.00 0.00 175.17 174.69 1pne n SER 76 N 4.83 1.08 -0.19 -0.34 7.64 0.15 -4.90 113.62 121.89 1pne n SER 76 Ca -0.11 -2.57 -0.01 0.00 1.01 0.00 0.00 58.87 57.19 1pne n SER 76 Cb 0.46 -0.33 0.10 0.00 -1.01 0.00 0.00 64.21 63.43 1pne n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1pne h LEU 77 N 0.37 0.19 -1.72 -3.43 5.85 -1.43 -1.74 115.31 113.40 1pne h LEU 77 Ca -0.05 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1pne h LEU 77 Cb 1.35 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1pne h LEU 77 CO 0.02 0.12 0.00 0.18 -0.34 0.00 0.00 178.44 178.42 1pne n LEU 78 N -5.01 2.54 -4.58 2.25 4.77 -1.26 -4.13 117.00 111.58 1pne n LEU 78 Ca 0.08 -1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 54.47 1pne n LEU 78 Cb 0.26 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1pne n LEU 78 CO 0.22 0.59 0.56 -1.58 -1.33 0.00 0.00 177.39 175.84 1pne s GLN 79 N -1.51 3.71 0.26 3.23 0.74 -0.70 -4.95 119.66 120.44 1pne s GLN 79 Ca 0.34 0.24 -0.30 0.00 0.05 0.00 0.00 55.36 55.69 1pne s GLN 79 Cb 0.19 -3.82 -0.14 0.00 1.10 0.00 0.00 33.01 30.34 1pne s GLN 79 CO 0.26 -0.87 1.23 -3.47 -0.55 0.00 0.00 175.29 171.90 1pne n ASP 80 N 6.41 2.10 0.00 6.67 2.03 -1.26 -0.50 116.55 132.00 1pne n ASP 80 Ca 0.02 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.50 1pne n ASP 80 Cb 0.48 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1pne n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pne n GLY 81 N 1.63 2.15 0.63 0.27 0.00 -1.26 -4.71 105.19 103.90 1pne n GLY 81 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1pne n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pne n GLU 82 N -2.00 0.15 -1.36 1.61 -0.58 -0.50 -5.04 120.64 112.92 1pne n GLU 82 Ca 0.00 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.66 1pne n GLU 82 Cb 0.00 -0.66 -0.06 0.00 -0.57 0.00 0.00 31.44 30.15 1pne n GLU 82 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1pne n PHE 83 N -3.44 -0.10 -4.44 -0.32 3.72 0.35 -4.95 117.46 108.29 1pne n PHE 83 Ca -0.04 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.12 1pne n PHE 83 Cb 0.14 -2.82 -0.10 0.00 -0.94 0.00 0.00 39.48 35.77 1pne n PHE 83 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1pne s THR 84 N -2.11 2.58 -0.03 4.37 -4.23 -1.12 -1.12 115.64 113.97 1pne s THR 84 Ca 0.00 -2.26 0.01 0.00 -1.18 0.00 0.00 61.69 58.26 1pne s THR 84 Cb 0.00 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.54 1pne s THR 84 CO 0.00 -0.33 -0.02 -0.32 -0.54 0.00 0.00 174.62 173.41 1pne s MET 85 N -3.34 0.49 -0.16 3.99 1.75 -0.02 0.32 119.30 122.34 1pne s MET 85 Ca 0.28 0.00 -0.05 0.00 -1.25 0.00 0.00 55.69 54.68 1pne s MET 85 Cb -0.06 -0.60 -0.03 0.00 2.84 0.00 0.00 34.83 36.98 1pne s MET 85 CO 0.14 -0.11 0.01 -0.51 -0.65 0.00 0.00 175.02 173.90 1pne s ASP 86 N 0.94 5.17 0.35 1.11 1.01 -0.16 -1.13 116.67 123.96 1pne s ASP 86 Ca -0.11 -0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.16 1pne s ASP 86 Cb -0.14 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 1pne s ASP 86 CO -0.01 0.19 0.13 -0.76 0.21 0.00 0.00 175.17 174.92 1pne s LEU 87 N 0.28 1.90 -0.11 1.23 1.02 0.63 0.05 118.68 123.67 1pne s LEU 87 Ca -0.00 -1.57 -0.09 0.00 0.02 0.00 0.00 54.13 52.49 1pne s LEU 87 Cb -0.13 -0.04 0.03 0.00 0.02 0.00 0.00 46.19 46.07 1pne s LEU 87 CO 0.02 -0.85 0.28 -0.60 0.02 0.00 0.00 176.35 175.22 1pne s ARG 88 N -3.79 0.31 0.63 1.70 3.52 -0.67 -1.39 118.95 119.27 1pne s ARG 88 Ca 0.31 0.42 -0.16 0.00 -0.13 0.00 0.00 55.73 56.17 1pne s ARG 88 Cb 0.05 0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.54 1pne s ARG 88 CO 0.16 -0.06 1.11 0.95 -0.81 0.00 0.00 175.30 176.65 1pne s THR 89 N 0.34 3.27 -0.23 4.11 -4.23 -0.51 -0.37 115.64 118.02 1pne s THR 89 Ca -0.02 0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 61.06 1pne s THR 89 Cb -0.03 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 1pne s THR 89 CO -0.01 -0.33 0.02 -0.54 -0.54 0.00 0.00 174.62 173.21 1pne s LYS 90 N -3.94 3.54 0.55 3.99 -0.14 0.58 -4.55 119.74 119.77 1pne s LYS 90 Ca 0.68 -0.54 0.05 0.00 -1.36 0.00 0.00 55.97 54.80 1pne s LYS 90 Cb -0.21 -3.17 0.04 0.00 -1.68 0.00 0.00 37.83 32.81 1pne s LYS 90 CO 0.38 -0.18 0.41 -1.54 -0.76 0.00 0.00 175.35 173.67 1pne s SER 91 N 1.51 4.62 0.01 2.83 1.04 -1.26 -4.62 113.70 117.83 1pne s SER 91 Ca 0.06 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.12 1pne s SER 91 Cb -0.15 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1pne s SER 91 CO 0.01 -1.13 0.22 0.28 0.98 0.00 0.00 173.24 173.60 1pne s THR 92 N -2.78 0.08 -1.47 2.02 -1.32 -1.26 -4.95 115.64 105.95 1pne s THR 92 Ca 0.34 -0.65 -0.04 0.00 -1.21 0.00 0.00 61.69 60.12 1pne s THR 92 Cb -0.02 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1pne s THR 92 CO 0.21 -0.36 0.55 0.61 -2.21 0.00 0.00 174.62 173.42 1pne n GLY 93 N 1.18 -0.44 1.73 6.08 0.00 -1.26 -2.78 105.19 109.70 1pne n GLY 93 Ca -0.21 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1pne n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pne n GLY 94 N -1.46 0.78 3.77 -0.02 0.00 -1.26 -5.04 105.19 101.96 1pne n GLY 94 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1pne n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pne s ALA 95 N -2.91 3.05 0.66 4.61 0.00 -1.12 -5.01 121.76 121.05 1pne s ALA 95 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 1pne s ALA 95 Cb 0.00 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1pne s ALA 95 CO 0.00 -0.49 1.10 -1.25 0.00 0.00 0.00 175.76 175.13 1pne s PRO 96 N -2.55 2.83 0.14 0.00 0.04 -1.26 -4.68 135.00 129.52 1pne s PRO 96 Ca 0.60 1.35 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1pne s PRO 96 Cb -0.27 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1pne s PRO 96 CO 0.33 -1.22 -0.07 0.95 0.04 0.00 0.00 177.00 177.02 1pne s THR 97 N -2.39 3.42 0.11 1.26 -4.23 -1.26 -4.79 115.64 107.76 1pne s THR 97 Ca 0.66 -1.42 0.07 0.00 -1.18 0.00 0.00 61.69 59.83 1pne s THR 97 Cb -0.20 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1pne s THR 97 CO 0.42 -0.01 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.95 1pne s PHE 98 N -1.49 1.62 0.13 3.99 0.08 -1.26 -4.68 117.98 116.38 1pne s PHE 98 Ca 0.24 -0.46 -0.17 0.00 0.12 0.00 0.00 56.93 56.66 1pne s PHE 98 Cb -0.10 -0.87 -0.07 0.00 -0.57 0.00 0.00 43.02 41.41 1pne s PHE 98 CO 0.15 0.19 0.58 -0.80 -0.10 0.00 0.00 175.22 175.25 1pne s ASN 99 N -2.11 6.95 0.01 1.36 0.02 -1.26 -1.42 114.94 118.49 1pne s ASN 99 Ca 0.07 1.20 0.02 0.00 -1.02 0.00 0.00 52.86 53.13 1pne s ASN 99 Cb -0.08 -2.33 -0.01 0.00 0.02 0.00 0.00 41.25 38.84 1pne s ASN 99 CO 0.04 0.16 -0.07 -0.63 0.02 0.00 0.00 177.10 176.62 1pne s ILE 100 N -1.34 0.52 -0.03 0.60 1.01 -0.48 -1.23 121.20 120.24 1pne s ILE 100 Ca 0.35 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1pne s ILE 100 Cb -0.17 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1pne s ILE 100 CO 0.19 -0.04 -0.11 -0.89 0.00 0.00 0.00 174.94 174.09 1pne s THR 101 N -0.57 0.96 -0.12 2.92 2.01 -0.73 -0.27 115.64 119.83 1pne s THR 101 Ca -0.02 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1pne s THR 101 Cb -0.05 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1pne s THR 101 CO 0.00 0.29 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.36 1pne s VAL 102 N 0.16 2.69 -0.05 3.82 1.01 -0.28 -1.58 120.40 126.17 1pne s VAL 102 Ca -0.03 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1pne s VAL 102 Cb -0.09 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 1pne s VAL 102 CO 0.01 0.53 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 1pne s THR 103 N 0.41 1.58 -0.11 3.92 2.01 -0.02 -0.84 115.64 122.59 1pne s THR 103 Ca -0.13 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 1pne s THR 103 Cb -0.16 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 1pne s THR 103 CO 0.06 0.45 0.29 -0.32 -0.69 0.00 0.00 174.62 174.41 1pne s MET 104 N 0.02 4.00 0.00 4.92 1.75 -0.28 -0.82 119.30 128.90 1pne s MET 104 Ca -0.05 0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.52 1pne s MET 104 Cb -0.12 -3.32 0.00 0.00 2.84 0.00 0.00 34.83 34.22 1pne s MET 104 CO 0.03 0.47 0.00 0.25 -0.65 0.00 0.00 175.02 175.11 1pne n THR 105 N 2.80 0.00 0.08 10.11 -2.24 0.53 -4.87 114.28 120.69 1pne n THR 105 Ca -0.14 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1pne n THR 105 Cb 0.53 -0.38 0.12 0.00 -2.10 0.00 0.00 70.33 68.50 1pne n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pne h ALA 106 N 0.52 0.84 0.00 6.98 0.00 -1.90 -3.36 119.26 122.35 1pne h ALA 106 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1pne h ALA 106 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pne h ALA 106 CO 0.00 0.72 -0.10 1.63 0.00 0.00 0.00 179.25 181.50 1pne n LYS 107 N -3.88 5.02 -4.42 0.00 5.02 0.54 -4.96 118.16 115.47 1pne n LYS 107 Ca -0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.05 1pne n LYS 107 Cb 0.61 -0.46 -0.09 0.00 -0.02 0.00 0.00 35.03 35.07 1pne n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pne s THR 108 N -0.89 0.60 -0.13 -0.18 -4.23 -1.18 -2.21 115.64 107.42 1pne s THR 108 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1pne s THR 108 Cb 0.00 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1pne s THR 108 CO 0.00 0.00 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.17 1pne s LEU 109 N -3.48 1.72 -0.28 4.79 1.02 0.10 -0.35 118.68 122.20 1pne s LEU 109 Ca 0.31 -0.46 -0.09 0.00 0.02 0.00 0.00 54.13 53.91 1pne s LEU 109 Cb 0.05 -1.14 -0.02 0.00 0.02 0.00 0.00 46.19 45.09 1pne s LEU 109 CO 0.16 -0.01 0.13 -0.69 0.02 0.00 0.00 176.35 175.96 1pne s VAL 110 N 1.18 4.63 -0.07 -1.59 1.01 0.00 -0.76 120.40 124.82 1pne s VAL 110 Ca -0.02 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1pne s VAL 110 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1pne s VAL 110 CO -0.05 0.19 -0.14 -0.76 0.00 0.00 0.00 175.10 174.34 1pne s LEU 111 N 1.64 2.75 -0.01 3.92 1.02 -0.33 -0.84 118.68 126.84 1pne s LEU 111 Ca 0.06 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1pne s LEU 111 Cb -0.16 -1.57 0.01 0.00 0.02 0.00 0.00 46.19 44.49 1pne s LEU 111 CO 0.06 0.31 -0.00 -0.22 0.02 0.00 0.00 176.35 176.52 1pne s LEU 112 N -0.52 1.66 -0.11 1.79 2.96 -0.62 -1.27 118.68 122.58 1pne s LEU 112 Ca 0.07 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1pne s LEU 112 Cb -0.12 -0.11 0.01 0.00 0.50 0.00 0.00 46.19 46.47 1pne s LEU 112 CO 0.02 -0.03 -0.21 -0.32 -1.32 0.00 0.00 176.35 174.48 1pne s MET 113 N 0.38 2.82 0.60 1.98 -2.45 -0.42 -1.78 119.30 120.44 1pne s MET 113 Ca -0.03 -0.79 -0.07 0.00 -1.25 0.00 0.00 55.69 53.55 1pne s MET 113 Cb -0.06 -2.22 0.01 0.00 1.25 0.00 0.00 34.83 33.81 1pne s MET 113 CO -0.01 0.07 0.92 0.20 1.05 0.00 0.00 175.02 177.25 1pne s GLY 114 N 0.62 1.61 0.94 2.11 0.00 -0.36 -0.29 107.32 111.95 1pne s GLY 114 Ca -0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 44.72 43.80 1pne s GLY 114 CO 0.03 -0.37 1.18 0.54 0.00 0.00 0.00 173.10 174.48 1pne s LYS 115 N -5.03 0.86 0.34 2.90 1.02 -0.01 -4.37 119.74 115.45 1pne s LYS 115 Ca 0.54 0.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.33 1pne s LYS 115 Cb -0.11 -1.83 -0.11 0.00 -0.52 0.00 0.00 37.83 35.27 1pne s LYS 115 CO 0.46 -2.35 1.46 -2.00 -0.92 0.00 0.00 175.35 172.00 1pne s GLU 116 N -5.46 4.18 0.00 1.68 2.12 -1.26 -2.39 118.70 117.57 1pne s GLU 116 Ca 0.66 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.46 1pne s GLU 116 Cb -0.11 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.26 1pne s GLU 116 CO 0.53 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1pne n GLY 117 N 1.02 1.25 3.64 -1.50 0.00 -1.26 -5.01 105.19 103.33 1pne n GLY 117 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1pne n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pne s VAL 118 N -3.73 4.97 0.32 1.61 1.01 -1.00 -5.01 120.40 118.57 1pne s VAL 118 Ca 0.00 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.91 1pne s VAL 118 Cb 0.00 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 1pne s VAL 118 CO 0.00 0.04 1.21 1.57 0.00 0.00 0.00 175.10 177.92 1pne n HIS 119 N 5.52 1.94 0.14 5.22 -0.00 -1.26 -4.64 115.22 122.15 1pne n HIS 119 Ca 0.00 0.59 0.05 0.00 0.46 0.00 0.00 57.72 58.83 1pne n HIS 119 Cb 0.49 -2.36 0.50 0.00 -0.12 0.00 0.00 29.99 28.49 1pne n HIS 119 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1pne h GLY 120 N 2.49 0.24 1.16 1.57 0.00 -1.95 -2.82 103.07 103.76 1pne h GLY 120 Ca -0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1pne h GLY 120 CO 0.63 0.10 0.34 -1.33 0.00 0.00 0.00 176.54 176.28 1pne h GLY 121 N 0.40 1.16 1.01 4.60 0.00 -1.99 0.21 103.07 108.47 1pne h GLY 121 Ca 0.06 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 1pne h GLY 121 CO -0.00 0.56 -0.04 -0.33 0.00 0.00 0.00 176.54 176.73 1pne h MET 122 N 1.07 0.86 -0.65 4.80 2.07 -1.88 -1.24 114.93 119.96 1pne h MET 122 Ca 0.26 -0.29 -0.08 0.00 -2.07 0.00 0.00 59.70 57.52 1pne h MET 122 Cb 0.15 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 29.78 1pne h MET 122 CO -0.03 0.93 0.10 0.82 1.07 0.00 0.00 176.91 179.80 1pne h ILE 123 N 0.72 1.26 -0.17 -1.22 1.08 -1.35 -2.29 117.51 115.53 1pne h ILE 123 Ca 0.13 -1.03 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 1pne h ILE 123 Cb 0.56 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1pne h ILE 123 CO 0.03 0.38 0.07 -1.13 -0.69 0.00 0.00 178.15 176.82 1pne h ASN 124 N 0.99 0.24 -0.38 1.72 -0.73 -0.34 -1.21 115.58 115.88 1pne h ASN 124 Ca 0.20 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 1pne h ASN 124 Cb 0.44 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 1pne h ASN 124 CO 0.01 0.33 0.20 0.50 -0.37 0.00 0.00 177.43 178.10 1pne h LYS 125 N 0.12 0.53 -0.31 6.67 3.64 -1.20 0.89 116.57 126.91 1pne h LYS 125 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1pne h LYS 125 Cb 0.17 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1pne h LYS 125 CO -0.00 0.45 0.09 -0.22 -2.27 0.00 0.00 179.45 177.50 1pne h LYS 126 N 0.48 0.47 -0.30 1.90 3.64 -1.35 -0.71 116.57 120.70 1pne h LYS 126 Ca 0.13 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1pne h LYS 126 Cb 0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1pne h LYS 126 CO -0.02 0.52 0.12 0.00 -2.27 0.00 0.00 179.45 177.81 1pne h TYR 128 N 0.34 0.47 -0.83 0.00 3.20 -0.66 -1.13 116.97 118.36 1pne h TYR 128 Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1pne h TYR 128 Cb 0.18 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1pne h TYR 128 CO -0.01 0.23 0.43 0.93 -1.64 0.00 0.00 178.16 178.10 1pne h GLU 129 N 0.50 1.18 -0.54 1.82 4.39 -0.94 -0.07 114.58 120.92 1pne h GLU 129 Ca 0.23 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1pne h GLU 129 Cb 0.14 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1pne h GLU 129 CO -0.16 0.89 -0.01 1.98 -1.16 0.00 0.00 179.01 180.55 1pne h MET 130 N 1.17 0.96 -0.62 2.33 4.05 -1.12 -1.70 114.93 120.01 1pne h MET 130 Ca 0.29 -0.31 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 1pne h MET 130 Cb 0.07 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1pne h MET 130 CO -0.04 0.97 0.18 0.00 0.23 0.00 0.00 176.91 178.25 1pne h ALA 131 N 0.95 1.16 -0.39 0.39 0.00 -0.82 -1.77 119.26 118.78 1pne h ALA 131 Ca 0.15 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1pne h ALA 131 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pne h ALA 131 CO 0.03 0.58 -0.21 0.77 0.00 0.00 0.00 179.25 180.42 1pne h SER 132 N 0.91 0.79 -0.18 0.00 0.02 -0.76 0.64 113.55 114.97 1pne h SER 132 Ca 0.20 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1pne h SER 132 Cb 0.28 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1pne h SER 132 CO -0.01 0.98 0.12 -0.74 -1.14 0.00 0.00 176.83 176.04 1pne h HIS 133 N 0.68 0.23 -0.56 3.45 6.17 -0.94 -0.25 115.15 123.93 1pne h HIS 133 Ca 0.10 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.13 1pne h HIS 133 Cb 0.72 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.55 1pne h HIS 133 CO 0.04 0.16 0.16 -0.07 0.71 0.00 0.00 177.93 178.93 1pne h LEU 134 N 0.23 0.83 -0.87 0.26 3.38 -1.11 -2.80 115.31 115.23 1pne h LEU 134 Ca 0.07 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1pne h LEU 134 Cb -0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1pne h LEU 134 CO -0.01 0.82 0.57 -0.09 0.09 0.00 0.00 178.44 179.82 1pne h ARG 135 N 0.79 1.09 0.00 1.13 2.43 -0.61 -0.65 114.38 118.56 1pne h ARG 135 Ca 0.18 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1pne h ARG 135 Cb 0.30 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1pne h ARG 135 CO -0.00 0.72 -0.11 0.00 -1.51 0.00 0.00 179.97 179.06 1pne h ARG 136 N 1.12 0.00 -0.63 0.20 3.08 -0.79 -1.47 114.38 115.89 1pne h ARG 136 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1pne h ARG 136 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1pne h ARG 136 CO -0.10 0.11 0.00 0.43 -1.07 0.00 0.00 179.97 179.34 1pne n SER 137 N -3.57 5.16 -1.30 7.04 7.64 -0.38 -4.92 113.62 123.29 1pne n SER 137 Ca -0.02 -2.78 -0.13 0.00 1.01 0.00 0.00 58.87 56.96 1pne n SER 137 Cb 0.24 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 62.77 1pne n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pne n GLN 138 N 0.62 -0.97 0.00 1.43 6.02 -0.55 -5.06 117.38 118.87 1pne n GLN 138 Ca 0.25 0.72 0.07 0.00 -0.01 0.00 0.00 57.00 58.03 1pne n GLN 138 Cb 1.07 -4.88 0.06 0.00 1.02 0.00 0.00 30.24 27.51 1pne n GLN 138 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71