#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joe s ASP 10 N 0.00 6.32 0.18 6.55 3.68 -1.26 -4.86 116.67 127.27 1joe s ASP 10 Ca 0.00 0.21 -0.12 0.00 2.13 0.00 0.00 52.55 54.76 1joe s ASP 10 Cb 0.00 -2.55 0.08 0.00 -1.45 0.00 0.00 42.92 39.00 1joe s ASP 10 CO 0.00 -1.57 1.76 0.45 0.13 0.00 0.00 175.17 175.94 1joe h HIS 11 N 10.19 0.87 -1.27 -5.34 3.86 -2.00 -2.74 115.15 118.71 1joe h HIS 11 Ca -0.26 -0.04 0.38 0.00 -1.16 0.00 0.00 60.37 59.29 1joe h HIS 11 Cb 1.07 -0.27 -0.11 0.00 1.06 0.00 0.00 27.41 29.17 1joe h HIS 11 CO 1.03 0.66 0.84 1.79 0.86 0.00 0.00 177.93 183.11 1joe h THR 12 N 0.82 0.26 -0.00 2.45 1.35 -1.92 1.30 112.91 117.18 1joe h THR 12 Ca 0.21 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1joe h THR 12 Cb 0.12 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1joe h THR 12 CO -0.03 0.03 -0.19 1.17 -0.25 0.00 0.00 175.52 176.25 1joe n LYS 13 N -4.56 0.29 -2.16 4.72 4.81 -1.03 -4.92 118.16 115.30 1joe n LYS 13 Ca 0.33 -0.10 -0.34 0.00 -0.87 0.00 0.00 58.31 57.32 1joe n LYS 13 Cb 1.29 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 34.85 1joe n LYS 13 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1joe s MET 14 N -2.78 3.27 0.01 1.64 -1.94 0.45 -5.05 119.30 114.89 1joe s MET 14 Ca 0.19 1.51 0.08 0.00 -1.71 0.00 0.00 55.69 55.76 1joe s MET 14 Cb 0.19 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 1joe s MET 14 CO 0.56 -0.90 -0.24 -0.80 -0.01 0.00 0.00 175.02 173.62 1joe s ASN 15 N -2.04 3.28 -0.02 3.03 0.01 -1.26 -4.87 114.94 113.07 1joe s ASN 15 Ca 0.70 -0.48 -0.06 0.00 -0.71 0.00 0.00 52.86 52.31 1joe s ASN 15 Cb -0.22 -0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.05 1joe s ASN 15 CO 0.30 0.29 0.13 0.00 -1.51 0.00 0.00 177.10 176.31 1joe s ALA 16 N -0.73 -0.30 0.30 0.60 0.00 -1.26 -4.02 121.76 116.35 1joe s ALA 16 Ca 0.11 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 1joe s ALA 16 Cb -0.10 -0.00 -0.11 0.00 0.00 0.00 0.00 23.12 22.91 1joe s ALA 16 CO 0.01 -0.16 1.51 -2.14 0.00 0.00 0.00 175.76 174.99 1joe s PRO 17 N -0.90 4.17 -0.28 0.00 0.02 -1.25 -4.75 135.00 132.01 1joe s PRO 17 Ca -0.10 2.49 -0.25 0.00 0.02 0.00 0.00 61.00 63.15 1joe s PRO 17 Cb -0.06 -3.03 0.13 0.00 0.02 0.00 0.00 34.50 31.56 1joe s PRO 17 CO 0.01 -0.53 1.09 0.00 -0.33 0.00 0.00 177.00 177.24 1joe s ALA 18 N -0.33 -2.01 -0.29 -1.55 0.00 -0.81 0.12 121.76 116.89 1joe s ALA 18 Ca 0.59 1.83 -0.21 0.00 0.00 0.00 0.00 51.96 54.17 1joe s ALA 18 Cb -0.46 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 1joe s ALA 18 CO 0.51 -0.22 0.67 0.08 0.00 0.00 0.00 175.76 176.80 1joe s VAL 19 N 0.11 4.91 0.16 0.00 1.01 -0.98 -1.70 120.40 123.90 1joe s VAL 19 Ca 0.03 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.15 1joe s VAL 19 Cb -0.05 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1joe s VAL 19 CO -0.07 -0.11 -0.13 -0.60 0.00 0.00 0.00 175.10 174.18 1joe s ARG 20 N 2.67 1.94 -0.29 2.72 3.52 0.11 -2.67 118.95 126.95 1joe s ARG 20 Ca 0.28 -1.25 -0.10 0.00 -0.13 0.00 0.00 55.73 54.53 1joe s ARG 20 Cb -0.15 -2.13 -0.03 0.00 -1.56 0.00 0.00 34.95 31.08 1joe s ARG 20 CO 0.11 0.45 0.16 0.42 -0.81 0.00 0.00 175.30 175.63 1joe s ILE 21 N -1.50 4.88 -0.26 4.11 1.01 -1.26 -0.64 121.20 127.54 1joe s ILE 21 Ca 0.22 -0.13 0.16 0.00 0.00 0.00 0.00 60.65 60.89 1joe s ILE 21 Cb -0.09 -3.39 -0.22 0.00 0.01 0.00 0.00 42.46 38.77 1joe s ILE 21 CO 0.13 0.18 0.45 0.00 0.00 0.00 0.00 174.94 175.70 1joe n ALA 22 N 5.02 3.07 -3.64 9.38 0.00 -0.74 -4.81 120.51 128.78 1joe n ALA 22 Ca -0.14 -0.39 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 1joe n ALA 22 Cb 0.51 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 1joe n ALA 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1joe s LYS 23 N -2.86 0.33 -0.09 0.00 2.20 -0.32 -4.97 119.74 114.03 1joe s LYS 23 Ca -0.02 0.45 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 1joe s LYS 23 Cb 0.11 0.14 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1joe s LYS 23 CO 0.64 -0.05 -0.15 0.99 -0.36 0.00 0.00 175.35 176.43 1joe s THR 24 N 0.50 1.40 -0.12 3.43 2.01 -1.26 0.19 115.64 121.79 1joe s THR 24 Ca 0.01 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1joe s THR 24 Cb -0.04 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1joe s THR 24 CO -0.11 0.42 -0.03 -0.04 -0.69 0.00 0.00 174.62 174.17 1joe s MET 25 N 0.78 3.32 -0.54 4.92 1.00 0.44 -4.87 119.30 124.34 1joe s MET 25 Ca -0.12 -0.50 -0.10 0.00 0.00 0.00 0.00 55.69 54.98 1joe s MET 25 Cb -0.16 -2.82 0.14 0.00 0.00 0.00 0.00 34.83 31.99 1joe s MET 25 CO 0.02 0.44 0.43 -0.51 0.00 0.00 0.00 175.02 175.41 1joe s LEU 26 N -0.19 5.86 0.00 -0.03 1.43 -1.26 0.79 118.68 125.29 1joe s LEU 26 Ca 0.04 -2.10 -0.28 0.00 -1.03 0.00 0.00 54.13 50.75 1joe s LEU 26 Cb -0.13 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1joe s LEU 26 CO 0.02 -0.67 0.91 0.42 0.23 0.00 0.00 176.35 177.27 1joe s THR 27 N 1.09 4.85 0.19 5.49 -4.23 -1.15 -4.95 115.64 116.93 1joe s THR 27 Ca 0.08 1.92 0.09 0.00 -1.18 0.00 0.00 61.69 62.60 1joe s THR 27 Cb -0.24 -4.26 0.19 0.00 1.34 0.00 0.00 72.50 69.54 1joe s THR 27 CO -0.02 0.21 0.84 -2.65 -0.54 0.00 0.00 174.62 172.46 1joe n PRO 28 N 3.66 -0.03 0.12 3.99 -0.02 -1.26 0.19 135.00 141.64 1joe n PRO 28 Ca 0.04 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 1joe n PRO 28 Cb 0.51 -1.30 0.45 0.00 -0.02 0.00 0.00 33.50 33.13 1joe n PRO 28 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1joe n LYS 29 N -4.28 0.23 0.00 -0.52 3.00 -1.26 -4.96 118.16 110.37 1joe n LYS 29 Ca 0.19 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1joe n LYS 29 Cb 0.63 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1joe n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joe n GLY 30 N 0.70 2.59 3.47 3.14 0.00 0.50 -5.11 105.19 110.47 1joe n GLY 30 Ca 0.04 -0.63 -0.50 0.00 0.00 0.00 0.00 46.02 44.93 1joe n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1joe n ASP 31 N 0.00 -0.32 -4.79 1.61 10.43 -1.26 -4.33 116.55 117.90 1joe n ASP 31 Ca 0.00 1.14 -0.36 0.00 2.57 0.00 0.00 54.79 58.15 1joe n ASP 31 Cb 0.00 -1.02 -0.07 0.00 1.84 0.00 0.00 41.12 41.87 1joe n ASP 31 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1joe s ASN 32 N -0.57 6.22 0.10 -2.24 0.01 -1.26 -2.95 114.94 114.26 1joe s ASN 32 Ca 0.71 0.32 -0.06 0.00 -0.71 0.00 0.00 52.86 53.12 1joe s ASN 32 Cb -0.98 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 38.58 1joe s ASN 32 CO 0.56 0.28 0.36 -0.63 -1.51 0.00 0.00 177.10 176.16 1joe s ILE 33 N -0.26 5.18 -0.04 0.60 1.09 0.24 -1.95 121.20 126.05 1joe s ILE 33 Ca 0.11 0.15 0.03 0.00 -1.10 0.00 0.00 60.65 59.83 1joe s ILE 33 Cb -0.12 -3.62 0.01 0.00 -1.06 0.00 0.00 42.46 37.67 1joe s ILE 33 CO 0.01 0.17 -0.12 0.42 -0.10 0.00 0.00 174.94 175.31 1joe s THR 34 N -1.52 1.06 -0.15 2.92 -4.23 0.41 0.17 115.64 114.30 1joe s THR 34 Ca 0.36 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.41 1joe s THR 34 Cb -0.13 -0.94 0.01 0.00 1.34 0.00 0.00 72.50 72.78 1joe s THR 34 CO 0.21 0.32 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.73 1joe s VAL 35 N 0.33 2.00 -0.19 2.29 1.01 0.50 -0.80 120.40 125.54 1joe s VAL 35 Ca -0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1joe s VAL 35 Cb -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1joe s VAL 35 CO 0.02 0.53 -0.06 -0.36 0.00 0.00 0.00 175.10 175.24 1joe s PHE 36 N 1.04 2.95 -0.39 5.22 0.08 -1.06 -1.17 117.98 124.65 1joe s PHE 36 Ca -0.02 -0.70 -0.29 0.00 0.12 0.00 0.00 56.93 56.04 1joe s PHE 36 Cb -0.14 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1joe s PHE 36 CO -0.07 -0.35 1.25 0.34 -0.10 0.00 0.00 175.22 176.30 1joe s ASP 37 N 0.98 6.60 -0.50 1.36 2.15 0.19 -1.10 116.67 126.35 1joe s ASP 37 Ca -0.00 0.85 -0.08 0.00 0.43 0.00 0.00 52.55 53.75 1joe s ASP 37 Cb -0.15 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.06 1joe s ASP 37 CO 0.00 -1.21 0.36 -0.76 -0.17 0.00 0.00 175.17 173.40 1joe s LEU 38 N 4.60 5.68 -0.49 -1.34 1.43 0.29 0.07 118.68 128.92 1joe s LEU 38 Ca 0.54 -2.05 -0.22 0.00 -1.03 0.00 0.00 54.13 51.37 1joe s LEU 38 Cb -0.12 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.15 1joe s LEU 38 CO 0.27 -0.65 0.74 -0.60 0.23 0.00 0.00 176.35 176.35 1joe s ARG 39 N 1.15 3.27 0.00 1.70 6.06 -0.69 0.18 118.95 130.62 1joe s ARG 39 Ca 0.08 -0.45 -0.01 0.00 -2.50 0.00 0.00 55.73 52.85 1joe s ARG 39 Cb -0.25 -4.02 -0.27 0.00 0.06 0.00 0.00 34.95 30.48 1joe s ARG 39 CO -0.02 -1.21 0.85 0.74 -2.50 0.00 0.00 175.30 173.16 1joe h PHE 40 N 9.04 0.37 -3.04 5.12 0.04 -1.12 -2.16 116.94 125.20 1joe h PHE 40 Ca -0.26 -0.27 -0.53 0.00 2.80 0.00 0.00 57.97 59.71 1joe h PHE 40 Cb 1.09 -0.01 -0.17 0.00 2.20 0.00 0.00 35.95 39.06 1joe h PHE 40 CO 0.79 1.33 -0.77 0.00 -0.60 0.00 0.00 178.31 179.06 1joe s ILE 42 N -2.27 4.28 0.15 0.00 1.01 -1.26 -4.72 121.20 118.40 1joe s ILE 42 Ca 0.20 1.61 -0.33 0.00 0.00 0.00 0.00 60.65 62.13 1joe s ILE 42 Cb -0.05 -4.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.26 1joe s ILE 42 CO 0.08 0.01 1.70 -2.65 0.00 0.00 0.00 174.94 174.09 1joe n PRO 43 N 5.04 2.51 -0.85 2.79 -0.02 -1.26 -0.63 135.00 142.57 1joe n PRO 43 Ca 0.10 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1joe n PRO 43 Cb 0.46 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1joe n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1joe n ASN 44 N 4.27 -1.58 -0.05 2.55 3.02 -1.26 -4.73 115.26 117.48 1joe n ASN 44 Ca 0.17 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.66 1joe n ASN 44 Cb 0.33 -1.45 -0.06 0.00 -0.61 0.00 0.00 39.78 37.99 1joe n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1joe n LYS 45 N -1.68 1.47 -3.74 3.52 4.01 0.19 -5.06 118.16 116.88 1joe n LYS 45 Ca 0.00 0.03 -0.14 0.00 -0.51 0.00 0.00 58.31 57.69 1joe n LYS 45 Cb 0.08 -1.22 -0.09 0.00 -0.51 0.00 0.00 35.03 33.29 1joe n LYS 45 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1joe s GLU 46 N -2.22 0.63 0.22 1.97 -1.05 -0.52 -4.95 118.70 112.78 1joe s GLU 46 Ca -0.10 0.07 -0.11 0.00 -0.15 0.00 0.00 54.97 54.68 1joe s GLU 46 Cb 0.03 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 34.00 1joe s GLU 46 CO 0.31 -0.15 0.42 -1.50 0.95 0.00 0.00 175.26 175.28 1joe s ILE 47 N -0.83 0.01 0.14 1.83 2.07 -1.26 -4.13 121.20 119.03 1joe s ILE 47 Ca -0.09 -1.41 -0.13 0.00 -1.41 0.00 0.00 60.65 57.61 1joe s ILE 47 Cb -0.04 -2.12 -0.07 0.00 0.13 0.00 0.00 42.46 40.36 1joe s ILE 47 CO 0.03 -0.06 0.52 -0.76 -1.91 0.00 0.00 174.94 172.76 1joe s LEU 48 N -3.01 4.33 0.03 8.50 1.02 -0.39 -5.03 118.68 124.13 1joe s LEU 48 Ca 0.22 1.00 -0.30 0.00 0.02 0.00 0.00 54.13 55.07 1joe s LEU 48 Cb 0.01 -3.23 -0.06 0.00 0.02 0.00 0.00 46.19 42.93 1joe s LEU 48 CO 0.07 0.11 1.36 -0.94 0.02 0.00 0.00 176.35 176.97 1joe s SER 49 N -1.76 6.88 0.21 2.29 1.04 -1.26 -4.92 113.70 116.18 1joe s SER 49 Ca 0.37 2.14 -0.17 0.00 0.48 0.00 0.00 55.95 58.77 1joe s SER 49 Cb -0.15 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.61 1joe s SER 49 CO 0.19 -0.66 1.59 -0.65 0.98 0.00 0.00 173.24 174.68 1joe h PRO 50 N 7.44 -0.09 0.00 4.02 0.11 -1.97 0.29 132.00 141.80 1joe h PRO 50 Ca -0.39 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 1joe h PRO 50 Cb 1.19 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1joe h PRO 50 CO 0.88 -0.06 -0.20 0.87 -0.21 0.00 0.00 178.00 179.29 1joe h LYS 51 N -0.09 0.00 0.11 1.05 1.57 -1.92 -3.15 116.57 114.15 1joe h LYS 51 Ca 0.29 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.77 1joe h LYS 51 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1joe h LYS 51 CO -0.74 0.20 -1.46 0.78 -0.57 0.00 0.00 179.45 177.66 1joe h GLY 52 N 1.38 0.28 1.47 3.86 0.00 -1.00 -2.74 103.07 106.32 1joe h GLY 52 Ca -0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 47.33 46.48 1joe h GLY 52 CO 0.03 0.62 -0.47 1.19 0.00 0.00 0.00 176.54 177.90 1joe h ILE 53 N 0.07 1.31 0.44 2.60 2.10 -0.53 0.45 117.51 123.94 1joe h ILE 53 Ca -0.21 -1.68 -0.01 0.00 1.08 0.00 0.00 64.86 64.04 1joe h ILE 53 Cb 2.00 1.65 -0.02 0.00 -1.09 0.00 0.00 36.82 39.36 1joe h ILE 53 CO 0.17 0.53 -0.37 -0.74 -1.08 0.00 0.00 178.15 176.65 1joe h HIS 54 N 0.45 -1.00 -0.65 2.19 2.76 -1.67 1.47 115.15 118.70 1joe h HIS 54 Ca 0.03 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.31 1joe h HIS 54 Cb 0.99 0.38 -0.09 0.00 1.55 0.00 0.00 27.41 30.25 1joe h HIS 54 CO 0.04 -0.53 0.20 1.15 -1.30 0.00 0.00 177.93 177.49 1joe h THR 55 N -0.81 0.67 0.00 6.26 2.02 -1.39 0.88 112.91 120.54 1joe h THR 55 Ca -0.04 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1joe h THR 55 Cb 0.71 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1joe h THR 55 CO -0.03 0.06 0.00 -0.11 0.37 0.00 0.00 175.52 175.82 1joe n LEU 56 N -5.06 0.34 0.09 2.58 7.94 0.16 -3.27 117.00 119.77 1joe n LEU 56 Ca 0.10 0.56 -0.16 0.00 -1.11 0.00 0.00 56.01 55.41 1joe n LEU 56 Cb 0.34 -0.49 -0.14 0.00 0.53 0.00 0.00 43.42 43.65 1joe n LEU 56 CO 0.19 -0.29 -0.15 -0.08 -1.11 0.00 0.00 177.39 175.95 1joe h GLU 57 N 0.00 0.26 0.00 1.96 4.81 0.95 -2.64 114.58 119.92 1joe h GLU 57 Ca 0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1joe h GLU 57 Cb 0.41 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1joe h GLU 57 CO 0.00 1.18 0.00 0.45 -0.73 0.00 0.00 179.01 179.91 1joe h HIS 58 N 0.07 0.00 0.00 0.92 3.86 -1.38 -3.32 115.15 115.30 1joe h HIS 58 Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1joe h HIS 58 Cb 1.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.46 1joe h HIS 58 CO 0.06 0.00 -0.04 -0.07 0.86 0.00 0.00 177.93 178.74 1joe h LEU 59 N 0.00 0.00 -0.12 2.43 3.38 -1.61 -3.38 115.31 116.01 1joe h LEU 59 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1joe h LEU 59 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1joe h LEU 59 CO 0.00 0.10 -0.07 0.33 0.09 0.00 0.00 178.44 178.89 1joe n PHE 60 N -2.53 -0.05 -0.31 1.13 7.35 -1.00 -1.86 117.46 120.20 1joe n PHE 60 Ca -0.01 0.15 0.10 0.00 -0.76 0.00 0.00 57.45 56.94 1joe n PHE 60 Cb 0.02 -0.38 0.23 0.00 0.35 0.00 0.00 39.48 39.70 1joe n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1joe h ALA 61 N -0.50 1.00 0.09 3.13 0.00 -1.80 0.31 119.26 121.49 1joe h ALA 61 Ca 0.02 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1joe h ALA 61 Cb 0.05 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1joe h ALA 61 CO -0.11 -0.49 -0.04 0.78 0.00 0.00 0.00 179.25 179.38 1joe h GLY 62 N 0.07 -0.13 -0.94 0.00 0.00 -1.55 -3.16 103.07 97.36 1joe h GLY 62 Ca 0.51 0.05 0.26 0.00 0.00 0.00 0.00 47.33 48.15 1joe h GLY 62 CO -0.80 -0.05 0.02 0.69 0.00 0.00 0.00 176.54 176.41 1joe n PHE 63 N -2.55 0.60 0.01 5.60 3.72 -0.91 -1.28 117.46 122.67 1joe n PHE 63 Ca -0.02 1.14 -0.05 0.00 -0.05 0.00 0.00 57.45 58.47 1joe n PHE 63 Cb 0.05 -1.21 -0.03 0.00 -0.94 0.00 0.00 39.48 37.35 1joe n PHE 63 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1joe h MET 64 N 0.00 -0.19 -1.04 -1.08 2.86 -0.47 -0.92 114.93 114.08 1joe h MET 64 Ca 0.57 0.01 0.30 0.00 -2.06 0.00 0.00 59.70 58.53 1joe h MET 64 Cb 1.19 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.85 1joe h MET 64 CO -0.88 -0.13 0.83 0.00 1.06 0.00 0.00 176.91 177.79 1joe h ARG 65 N -0.20 0.00 0.00 1.72 2.47 -1.14 1.54 114.38 118.77 1joe h ARG 65 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1joe h ARG 65 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1joe h ARG 65 CO -0.11 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 180.17 1joe n ASP 66 N -3.98 0.00 0.00 7.04 8.00 -0.38 -2.88 116.55 124.35 1joe n ASP 66 Ca 0.22 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1joe n ASP 66 Cb 1.18 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 1joe n ASP 66 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1joe n HIS 67 N -1.09 0.00 -4.16 1.24 8.25 0.49 -5.06 115.22 114.87 1joe n HIS 67 Ca 0.19 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.51 1joe n HIS 67 Cb 0.14 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.17 1joe n HIS 67 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1joe s LEU 68 N -0.07 1.14 0.07 2.41 0.20 0.10 -4.82 118.68 117.71 1joe s LEU 68 Ca 0.00 -1.43 0.00 0.00 0.69 0.00 0.00 54.13 53.39 1joe s LEU 68 Cb 0.00 0.88 0.00 0.00 -0.43 0.00 0.00 46.19 46.64 1joe s LEU 68 CO 0.00 -1.04 0.00 0.59 -0.29 0.00 0.00 176.35 175.61 1joe n ASN 69 N -0.85 -3.81 0.00 3.68 3.02 -1.26 -4.41 115.26 111.64 1joe n ASN 69 Ca 0.03 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1joe n ASN 69 Cb 0.63 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1joe n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1joe n GLY 70 N 0.23 2.10 0.94 7.41 0.00 0.49 -4.85 105.19 111.51 1joe n GLY 70 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1joe n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1joe n ASP 71 N 0.00 2.37 0.00 1.61 8.00 -1.26 -3.73 116.55 123.53 1joe n ASP 71 Ca 0.00 -2.26 0.00 0.00 0.71 0.00 0.00 54.79 53.24 1joe n ASP 71 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1joe n ASP 71 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1joe n SER 72 N 0.14 0.00 -4.16 -2.24 2.88 -1.26 -5.13 113.62 103.86 1joe n SER 72 Ca 0.08 -0.03 -0.31 0.00 -1.33 0.00 0.00 58.87 57.28 1joe n SER 72 Cb 0.54 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.84 1joe n SER 72 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1joe s ILE 73 N 0.00 1.88 -0.13 2.46 1.09 -1.24 -4.16 121.20 121.09 1joe s ILE 73 Ca 0.00 -0.89 -0.04 0.00 -1.10 0.00 0.00 60.65 58.62 1joe s ILE 73 Cb 0.00 -1.66 0.07 0.00 -1.06 0.00 0.00 42.46 39.81 1joe s ILE 73 CO 0.00 0.52 0.20 -0.70 -0.10 0.00 0.00 174.94 174.85 1joe s GLU 74 N 0.65 0.11 0.06 2.79 2.12 -0.45 0.18 118.70 124.16 1joe s GLU 74 Ca -0.12 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 1joe s GLU 74 Cb -0.16 -0.59 -0.05 0.00 0.26 0.00 0.00 34.13 33.59 1joe s GLU 74 CO 0.03 -0.43 0.98 0.42 -0.54 0.00 0.00 175.26 175.71 1joe s ILE 75 N 2.32 4.65 -0.06 -3.70 1.01 -1.26 0.18 121.20 124.35 1joe s ILE 75 Ca 0.04 2.05 -0.03 0.00 0.00 0.00 0.00 60.65 62.71 1joe s ILE 75 Cb -0.13 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 1joe s ILE 75 CO -0.08 0.24 -0.06 0.40 0.00 0.00 0.00 174.94 175.44 1joe h ILE 76 N 4.38 0.00 -2.93 2.92 2.04 0.31 -3.47 117.51 120.75 1joe h ILE 76 Ca -0.42 -0.43 -0.23 0.00 1.00 0.00 0.00 64.86 64.78 1joe h ILE 76 Cb 1.21 0.00 -0.33 0.00 -0.74 0.00 0.00 36.82 36.97 1joe h ILE 76 CO 0.73 0.00 -0.55 -0.62 0.00 0.00 0.00 178.15 177.72 1joe s ASP 77 N -4.37 0.34 -0.36 1.72 2.15 -1.17 -4.99 116.67 109.98 1joe s ASP 77 Ca -0.05 0.53 -0.19 0.00 0.43 0.00 0.00 52.55 53.28 1joe s ASP 77 Cb 0.01 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.20 1joe s ASP 77 CO 0.07 -0.23 0.54 -0.63 -0.17 0.00 0.00 175.17 174.75 1joe s ILE 78 N 2.22 4.98 -0.01 4.11 1.01 -1.26 -2.38 121.20 129.86 1joe s ILE 78 Ca -0.00 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 1joe s ILE 78 Cb -0.12 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 1joe s ILE 78 CO -0.08 -0.28 0.05 -0.55 0.00 0.00 0.00 174.94 174.08 1joe s SER 79 N 1.79 0.02 0.50 3.58 0.15 -0.49 -4.88 113.70 114.37 1joe s SER 79 Ca 0.20 -0.06 -0.23 0.00 0.70 0.00 0.00 55.95 56.55 1joe s SER 79 Cb -0.15 0.14 -0.06 0.00 -1.71 0.00 0.00 66.02 64.23 1joe s SER 79 CO 0.14 -0.14 1.36 -2.16 1.20 0.00 0.00 173.24 173.64 1joe s PRO 80 N -0.52 3.43 0.76 5.44 0.04 -1.26 -2.13 135.00 140.76 1joe s PRO 80 Ca -0.06 2.24 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 1joe s PRO 80 Cb -0.04 -2.43 0.10 0.00 0.04 0.00 0.00 34.50 32.17 1joe s PRO 80 CO 0.00 -0.96 1.08 -1.64 0.04 0.00 0.00 177.00 175.52 1joe s MET 81 N -2.70 1.79 -0.08 4.56 1.00 -1.22 -4.87 119.30 117.79 1joe s MET 81 Ca 0.66 -0.42 -0.22 0.00 0.00 0.00 0.00 55.69 55.71 1joe s MET 81 Cb -0.40 -2.13 -0.29 0.00 0.00 0.00 0.00 34.83 32.01 1joe s MET 81 CO 0.49 -1.52 0.80 0.78 0.00 0.00 0.00 175.02 175.57 1joe h GLY 82 N -0.81 0.26 -0.19 -0.03 0.00 -1.97 -3.29 103.07 97.05 1joe h GLY 82 Ca -0.43 -0.68 0.28 0.00 0.00 0.00 0.00 47.33 46.50 1joe h GLY 82 CO 0.53 0.59 0.69 0.00 0.00 0.00 0.00 176.54 178.35 1joe n ARG 84 N -4.59 0.00 0.00 0.00 1.74 -1.24 -4.89 116.66 107.68 1joe n ARG 84 Ca 0.26 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.62 1joe n ARG 84 Cb 0.93 -2.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 1joe n ARG 84 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1joe n THR 85 N -2.83 0.00 -2.30 0.55 -2.24 -1.26 -1.27 114.28 104.94 1joe n THR 85 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1joe n THR 85 Cb 0.13 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1joe n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1joe n GLY 86 N 1.17 3.45 3.24 3.38 0.00 -1.26 -0.47 105.19 114.70 1joe n GLY 86 Ca 0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 1joe n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1joe s PHE 87 N -2.86 -1.03 0.14 1.61 0.40 0.49 -3.44 117.98 113.29 1joe s PHE 87 Ca 0.00 1.55 -0.23 0.00 -0.60 0.00 0.00 56.93 57.65 1joe s PHE 87 Cb 0.00 0.37 -0.08 0.00 0.51 0.00 0.00 43.02 43.83 1joe s PHE 87 CO 0.00 -0.64 0.71 0.71 0.70 0.00 0.00 175.22 176.70 1joe s TYR 88 N 2.69 3.86 -0.22 0.36 1.51 -0.91 0.10 117.35 124.75 1joe s TYR 88 Ca 0.04 1.50 -0.04 0.00 -1.01 0.00 0.00 57.07 57.57 1joe s TYR 88 Cb -0.13 -2.67 0.07 0.00 -0.11 0.00 0.00 41.96 39.12 1joe s TYR 88 CO -0.16 0.53 0.09 1.41 -1.11 0.00 0.00 175.55 176.30 1joe s MET 89 N -1.20 0.30 0.14 -0.62 -2.45 -0.26 -1.39 119.30 113.81 1joe s MET 89 Ca 0.34 -0.37 -0.17 0.00 -1.25 0.00 0.00 55.69 54.24 1joe s MET 89 Cb -0.21 -1.74 -0.07 0.00 1.25 0.00 0.00 34.83 34.05 1joe s MET 89 CO 0.24 -0.78 0.59 -1.54 1.05 0.00 0.00 175.02 174.57 1joe s SER 90 N 2.01 6.94 0.03 1.11 1.04 -1.00 -2.57 113.70 121.25 1joe s SER 90 Ca 0.04 1.19 -0.22 0.00 0.48 0.00 0.00 55.95 57.44 1joe s SER 90 Cb -0.16 -2.33 0.05 0.00 0.10 0.00 0.00 66.02 63.67 1joe s SER 90 CO -0.18 0.15 0.50 -1.48 0.98 0.00 0.00 173.24 173.21 1joe s LEU 91 N -1.69 0.04 -0.10 2.42 0.05 0.02 0.10 118.68 119.52 1joe s LEU 91 Ca 0.36 0.20 -0.28 0.00 0.05 0.00 0.00 54.13 54.46 1joe s LEU 91 Cb -0.17 2.02 -0.02 0.00 -2.05 0.00 0.00 46.19 45.97 1joe s LEU 91 CO 0.19 -0.67 0.91 -0.63 -0.55 0.00 0.00 176.35 175.61 1joe s ILE 92 N -2.18 4.86 -2.55 1.48 1.01 0.49 -0.44 121.20 123.88 1joe s ILE 92 Ca -0.07 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.43 1joe s ILE 92 Cb -0.01 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1joe s ILE 92 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1joe n GLY 93 N 3.16 0.50 2.70 6.18 0.00 -0.82 -1.35 105.19 115.56 1joe n GLY 93 Ca 0.06 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 1joe n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1joe n THR 94 N 4.58 0.00 -2.95 2.61 5.66 -1.26 -4.23 114.28 118.70 1joe n THR 94 Ca 0.00 -1.27 -0.38 0.00 -3.05 0.00 0.00 64.05 59.34 1joe n THR 94 Cb 0.00 1.06 -0.06 0.00 -1.55 0.00 0.00 70.33 69.78 1joe n THR 94 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1joe s PRO 95 N 0.17 4.55 0.41 1.09 0.04 -1.26 -5.05 135.00 134.95 1joe s PRO 95 Ca 0.19 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 1joe s PRO 95 Cb 0.30 -3.12 0.09 0.00 0.04 0.00 0.00 34.50 31.81 1joe s PRO 95 CO -0.08 0.49 0.55 0.27 0.04 0.00 0.00 177.00 178.28 1joe n ASN 96 N 1.26 0.28 0.27 6.66 6.94 -1.26 -4.85 115.26 124.57 1joe n ASN 96 Ca -0.03 -1.34 -0.17 0.00 -0.02 0.00 0.00 54.58 53.01 1joe n ASN 96 Cb 0.49 -0.40 -0.09 0.00 -2.36 0.00 0.00 39.78 37.42 1joe n ASN 96 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1joe h GLU 97 N 0.00 -0.91 -1.00 -3.83 3.07 -1.96 -1.34 114.58 108.60 1joe h GLU 97 Ca -0.18 0.06 0.19 0.00 -0.50 0.00 0.00 59.36 58.93 1joe h GLU 97 Cb 0.55 0.21 -0.10 0.00 -0.84 0.00 0.00 28.75 28.57 1joe h GLU 97 CO 0.15 -0.61 0.61 0.37 -1.40 0.00 0.00 179.01 178.14 1joe h GLN 98 N -0.95 0.73 0.00 2.33 4.15 -1.96 1.23 115.11 120.65 1joe h GLN 98 Ca -0.06 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1joe h GLN 98 Cb 0.82 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1joe h GLN 98 CO -0.06 0.48 0.00 1.17 -1.93 0.00 0.00 178.83 178.49 1joe n LYS 99 N -4.75 0.11 -0.07 1.69 4.81 -0.77 -1.62 118.16 117.56 1joe n LYS 99 Ca 0.23 0.11 -0.09 0.00 -0.87 0.00 0.00 58.31 57.70 1joe n LYS 99 Cb 0.58 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.04 1joe n LYS 99 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1joe n VAL 100 N -1.43 0.90 0.30 3.15 0.31 0.14 -4.13 118.33 117.58 1joe n VAL 100 Ca 0.07 -0.46 0.18 0.00 -0.01 0.00 0.00 64.34 64.13 1joe n VAL 100 Cb 0.23 -0.85 0.87 0.00 -0.91 0.00 0.00 33.84 33.18 1joe n VAL 100 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1joe h SER 101 N 0.00 0.00 0.05 4.52 4.64 0.13 -1.49 113.55 121.40 1joe h SER 101 Ca -0.35 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.66 1joe h SER 101 Cb 1.69 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.74 1joe h SER 101 CO -0.01 0.00 -1.70 -0.62 -0.87 0.00 0.00 176.83 173.62 1joe n GLU 102 N -2.92 0.65 0.18 4.77 1.02 -0.64 -3.68 120.64 120.02 1joe n GLU 102 Ca -0.01 0.41 0.07 0.00 -0.02 0.00 0.00 57.16 57.61 1joe n GLU 102 Cb 0.18 -1.70 0.19 0.00 -0.02 0.00 0.00 31.44 30.08 1joe n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1joe h ALA 103 N -0.30 0.84 -1.01 0.62 0.00 -1.70 -1.20 119.26 116.52 1joe h ALA 103 Ca -0.42 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.25 1joe h ALA 103 Cb 1.63 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 1joe h ALA 103 CO -0.11 0.39 0.66 2.35 0.00 0.00 0.00 179.25 182.54 1joe h TRP 104 N 0.00 1.24 -0.40 0.00 7.01 -1.46 1.09 115.95 123.43 1joe h TRP 104 Ca -0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1joe h TRP 104 Cb 1.11 -0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 27.74 1joe h TRP 104 CO 0.00 0.71 0.15 1.25 -2.79 0.00 0.00 178.44 177.75 1joe h LEU 105 N 1.27 0.56 -1.42 0.65 5.85 -1.44 1.47 115.31 122.25 1joe h LEU 105 Ca 0.40 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1joe h LEU 105 Cb 0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1joe h LEU 105 CO -0.13 0.59 0.06 0.00 -0.34 0.00 0.00 178.44 178.62 1joe h ALA 106 N 0.99 1.53 -0.03 1.25 0.00 -0.62 -1.00 119.26 121.39 1joe h ALA 106 Ca 0.13 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1joe h ALA 106 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1joe h ALA 106 CO -0.01 0.35 -0.55 0.77 0.00 0.00 0.00 179.25 179.80 1joe h SER 107 N 0.44 0.09 -0.07 0.00 0.02 0.23 -3.18 113.55 111.07 1joe h SER 107 Ca 0.10 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1joe h SER 107 Cb 0.20 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1joe h SER 107 CO -0.00 0.63 -0.33 0.24 -1.14 0.00 0.00 176.83 176.23 1joe h MET 108 N 0.06 0.35 -0.98 3.45 2.07 0.33 -3.17 114.93 117.04 1joe h MET 108 Ca -0.00 -0.28 0.08 0.00 -2.07 0.00 0.00 59.70 57.43 1joe h MET 108 Cb 1.00 0.06 -0.07 0.00 -1.87 0.00 0.00 31.60 30.71 1joe h MET 108 CO 0.08 0.92 0.62 1.96 1.07 0.00 0.00 176.91 181.56 1joe h GLN 109 N -0.13 1.04 0.00 1.72 1.08 -1.41 0.19 115.11 117.59 1joe h GLN 109 Ca -0.02 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1joe h GLN 109 Cb 0.98 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1joe h GLN 109 CO 0.07 0.69 -0.08 -0.44 -0.95 0.00 0.00 178.83 178.11 1joe h ASP 110 N 1.07 0.00 -0.89 1.46 3.45 -1.60 0.38 116.42 120.28 1joe h ASP 110 Ca 0.45 0.00 0.12 0.00 0.43 0.00 0.00 57.03 58.03 1joe h ASP 110 Cb 0.28 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.99 1joe h ASP 110 CO -0.21 0.08 0.58 0.58 -1.57 0.00 0.00 179.24 178.70 1joe h VAL 111 N 0.00 0.90 -0.01 -1.35 2.07 -0.92 0.12 116.25 117.06 1joe h VAL 111 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1joe h VAL 111 Cb 0.24 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1joe h VAL 111 CO 0.01 0.14 -0.16 0.18 0.02 0.00 0.00 177.57 177.76 1joe n LEU 112 N -4.55 0.79 0.17 2.57 7.99 0.06 -1.98 117.00 122.05 1joe n LEU 112 Ca 0.16 -0.15 0.13 0.00 -0.01 0.00 0.00 56.01 56.14 1joe n LEU 112 Cb 0.39 -0.14 0.31 0.00 -0.11 0.00 0.00 43.42 43.87 1joe n LEU 112 CO 0.30 0.14 0.85 1.23 -1.51 0.00 0.00 177.39 178.41 1joe h GLY 113 N 4.94 0.00 -6.51 -0.72 0.00 -0.13 -3.44 103.07 97.22 1joe h GLY 113 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1joe h GLY 113 CO 0.00 0.00 1.13 0.14 0.00 0.00 0.00 176.54 177.81 1joe s VAL 114 N -3.19 3.76 0.00 4.60 1.01 -0.84 -4.94 120.40 120.80 1joe s VAL 114 Ca 0.08 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1joe s VAL 114 Cb 0.08 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1joe s VAL 114 CO 0.62 -0.50 0.64 0.00 0.00 0.00 0.00 175.10 175.86 1joe n GLN 115 N 7.97 0.00 -3.94 2.72 1.13 -1.26 -4.98 117.38 119.02 1joe n GLN 115 Ca 0.19 0.35 -0.17 0.00 -1.94 0.00 0.00 57.00 55.44 1joe n GLN 115 Cb 0.47 -1.23 -0.06 0.00 0.11 0.00 0.00 30.24 29.53 1joe n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1joe n ASP 116 N -1.56 -0.74 0.01 1.08 5.68 -1.26 -5.01 116.55 114.75 1joe n ASP 116 Ca 0.00 -2.90 0.18 0.00 -0.50 0.00 0.00 54.79 51.56 1joe n ASP 116 Cb 0.00 1.63 0.65 0.00 -1.14 0.00 0.00 41.12 42.26 1joe n ASP 116 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1joe h GLN 117 N 0.00 0.07 -3.08 0.11 -0.00 -1.97 -2.33 115.11 107.92 1joe h GLN 117 Ca -0.21 -0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 57.79 1joe h GLN 117 Cb 1.06 -0.02 0.03 0.00 0.00 0.00 0.00 27.48 28.55 1joe h GLN 117 CO 0.31 0.05 3.71 0.00 0.00 0.00 0.00 178.83 182.90 1joe n ALA 118 N -2.61 7.21 -0.92 3.38 0.00 -1.26 -1.82 120.51 124.50 1joe n ALA 118 Ca 0.09 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.16 1joe n ALA 118 Cb 0.52 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.63 1joe n ALA 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1joe n SER 119 N 3.72 0.00 -4.21 0.00 7.64 -0.88 -5.00 113.62 114.89 1joe n SER 119 Ca 0.74 -0.04 -0.41 0.00 1.01 0.00 0.00 58.87 60.17 1joe n SER 119 Cb 0.22 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.37 1joe n SER 119 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1joe s ILE 120 N 0.00 4.79 0.35 0.44 -1.09 -0.75 -4.93 121.20 120.01 1joe s ILE 120 Ca 0.00 -2.94 0.33 0.00 -2.23 0.00 0.00 60.65 55.80 1joe s ILE 120 Cb 0.00 -4.00 0.35 0.00 -1.58 0.00 0.00 42.46 37.23 1joe s ILE 120 CO 0.00 -1.00 2.09 -0.65 -1.23 0.00 0.00 174.94 174.15 1joe h PRO 121 N 7.15 0.00 0.00 2.79 0.11 -1.96 -2.46 132.00 137.64 1joe h PRO 121 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1joe h PRO 121 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1joe h PRO 121 CO 0.77 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.78 1joe n GLU 122 N -3.33 0.63 0.00 1.05 0.28 -1.26 -3.93 120.64 114.08 1joe n GLU 122 Ca -0.01 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1joe n GLU 122 Cb 0.24 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1joe n GLU 122 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1joe n LEU 123 N -1.08 1.45 -4.92 -1.84 7.99 -0.93 -3.61 117.00 114.07 1joe n LEU 123 Ca 0.16 -0.73 -0.26 0.00 -0.01 0.00 0.00 56.01 55.17 1joe n LEU 123 Cb 0.11 -0.43 -0.00 0.00 -0.11 0.00 0.00 43.42 42.99 1joe n LEU 123 CO 0.14 0.29 0.39 0.54 -1.51 0.00 0.00 177.39 177.24 1joe s ASN 124 N 0.25 6.21 0.00 -1.43 2.20 -1.25 -4.91 114.94 116.01 1joe s ASN 124 Ca 0.00 0.79 0.29 0.00 -0.94 0.00 0.00 52.86 53.00 1joe s ASN 124 Cb 0.00 -2.14 1.71 0.00 -2.00 0.00 0.00 41.25 38.82 1joe s ASN 124 CO 0.00 -0.55 2.07 2.30 -2.94 0.00 0.00 177.10 177.98 1joe n ILE 125 N -2.17 0.00 0.68 0.54 -0.00 -1.26 -0.37 119.36 116.78 1joe n ILE 125 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 62.75 62.83 1joe n ILE 125 Cb 0.56 -0.50 0.06 0.00 -0.00 0.00 0.00 39.64 39.76 1joe n ILE 125 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1joe n TYR 126 N -0.97 0.00 0.00 4.28 4.01 -1.26 -4.55 117.16 118.67 1joe n TYR 126 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1joe n TYR 126 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1joe n TYR 126 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1joe n GLN 127 N 0.76 1.11 -4.27 -0.72 6.02 -0.96 -5.03 117.38 114.29 1joe n GLN 127 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.77 1joe n GLN 127 Cb 0.39 -0.09 -0.16 0.00 1.02 0.00 0.00 30.24 31.40 1joe n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1joe n GLY 129 N 4.47 -0.72 2.17 0.00 0.00 -1.26 -3.85 105.19 106.00 1joe n GLY 129 Ca -0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1joe n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1joe n SER 130 N -0.41 -0.80 0.32 1.61 7.64 -1.26 -5.00 113.62 115.72 1joe n SER 130 Ca 0.06 -1.59 0.20 0.00 1.01 0.00 0.00 58.87 58.55 1joe n SER 130 Cb 0.07 0.50 1.09 0.00 -1.01 0.00 0.00 64.21 64.87 1joe n SER 130 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1joe h TYR 131 N 0.70 0.00 0.91 1.43 -0.00 -1.88 -1.88 116.97 116.25 1joe h TYR 131 Ca -0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.41 1joe h TYR 131 Cb 1.16 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.90 1joe h TYR 131 CO -0.11 0.00 -0.44 0.00 -0.00 0.00 0.00 178.16 177.61 1joe h THR 132 N 0.00 0.00 -1.01 -0.90 1.03 -1.93 -3.38 112.91 106.72 1joe h THR 132 Ca 0.00 -0.07 -0.48 0.00 -0.01 0.00 0.00 66.41 65.85 1joe h THR 132 Cb 0.02 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 67.07 1joe h THR 132 CO -0.00 0.00 1.68 1.21 -0.01 0.00 0.00 175.52 178.40 1joe n GLU 133 N -5.49 0.67 -3.56 0.00 4.07 -0.71 -4.86 120.64 110.76 1joe n GLU 133 Ca -0.15 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.82 1joe n GLU 133 Cb 0.48 -2.72 -0.06 0.00 -0.06 0.00 0.00 31.44 29.08 1joe n GLU 133 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1joe s HIS 134 N 10.97 -0.48 -0.44 4.31 3.76 -1.26 -4.77 115.29 127.38 1joe s HIS 134 Ca 1.12 0.86 0.03 0.00 -0.15 0.00 0.00 55.06 56.92 1joe s HIS 134 Cb -0.58 0.43 0.19 0.00 1.11 0.00 0.00 32.58 33.73 1joe s HIS 134 CO 0.35 -0.42 0.81 0.45 -0.85 0.00 0.00 174.74 175.08 1joe s SER 135 N -1.00 -1.13 0.59 1.40 0.15 -1.05 -4.88 113.70 107.79 1joe s SER 135 Ca -0.04 -1.11 0.38 0.00 0.70 0.00 0.00 55.95 55.87 1joe s SER 135 Cb -0.01 1.47 1.74 0.00 -1.71 0.00 0.00 66.02 67.51 1joe s SER 135 CO 0.04 -0.07 2.12 0.25 1.20 0.00 0.00 173.24 176.78 1joe h LEU 136 N 5.28 0.00 0.68 3.45 5.85 -1.94 -2.20 115.31 126.43 1joe h LEU 136 Ca 0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1joe h LEU 136 Cb 1.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1joe h LEU 136 CO -0.00 0.00 -0.49 -0.08 -0.34 0.00 0.00 178.44 177.53 1joe h GLU 137 N 0.00 -1.07 0.00 1.25 4.57 -1.98 -2.11 114.58 115.24 1joe h GLU 137 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1joe h GLU 137 Cb 0.33 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1joe h GLU 137 CO 0.00 -0.72 0.00 -0.44 -1.18 0.00 0.00 179.01 176.67 1joe h ASP 138 N -1.11 0.00 0.75 1.04 5.19 -1.86 0.19 116.42 120.61 1joe h ASP 138 Ca -0.09 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 1joe h ASP 138 Cb 0.92 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.43 1joe h ASP 138 CO 0.05 0.00 -0.36 0.00 -3.12 0.00 0.00 179.24 175.81 1joe h ALA 139 N 2.06 -1.05 -0.97 3.45 0.00 -0.79 0.40 119.26 122.36 1joe h ALA 139 Ca 0.00 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.83 1joe h ALA 139 Cb 0.16 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1joe h ALA 139 CO 0.00 -0.98 0.61 0.45 0.00 0.00 0.00 179.25 179.33 1joe h HIS 140 N -1.21 1.03 0.07 0.00 3.86 -0.86 0.81 115.15 118.86 1joe h HIS 140 Ca -0.10 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1joe h HIS 140 Cb 0.77 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1joe h HIS 140 CO 0.01 0.37 -0.06 1.49 0.86 0.00 0.00 177.93 180.60 1joe h GLU 141 N 0.86 -0.12 -0.58 2.45 4.81 -0.53 0.39 114.58 121.86 1joe h GLU 141 Ca 0.49 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.85 1joe h GLU 141 Cb 0.63 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 1joe h GLU 141 CO -0.26 -0.08 -0.16 0.82 -0.73 0.00 0.00 179.01 178.60 1joe h ILE 142 N -0.13 0.40 0.00 2.32 2.04 -0.55 -1.85 117.51 119.75 1joe h ILE 142 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1joe h ILE 142 Cb 0.11 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1joe h ILE 142 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1joe n ALA 143 N -2.99 -0.19 0.03 1.87 0.00 0.28 -1.34 120.51 118.16 1joe n ALA 143 Ca 0.06 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.71 1joe n ALA 143 Cb 0.31 0.27 0.73 0.00 0.00 0.00 0.00 19.45 20.76 1joe n ALA 143 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1joe h LYS 144 N 0.00 0.00 0.00 0.00 1.57 -0.01 0.65 116.57 118.79 1joe h LYS 144 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1joe h LYS 144 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1joe h LYS 144 CO 0.00 0.00 -0.62 -0.97 -0.57 0.00 0.00 179.45 177.29 1joe h ASN 145 N 0.00 0.00 0.00 0.86 -0.73 -0.73 -2.50 115.58 112.49 1joe h ASN 145 Ca 0.24 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.26 1joe h ASN 145 Cb 1.09 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.69 1joe h ASN 145 CO -0.00 0.62 -0.59 0.58 -0.37 0.00 0.00 177.43 177.67 1joe h VAL 146 N 0.00 1.44 0.00 2.57 2.07 0.16 -2.57 116.25 119.92 1joe h VAL 146 Ca -0.01 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.42 1joe h VAL 146 Cb 1.13 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1joe h VAL 146 CO 0.08 0.60 0.00 2.30 0.02 0.00 0.00 177.57 180.58 1joe n ILE 147 N -4.23 0.15 -0.09 4.57 -5.35 -0.56 -1.52 119.36 112.32 1joe n ILE 147 Ca -0.10 0.04 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 1joe n ILE 147 Cb 0.67 -0.75 -0.12 0.00 -1.74 0.00 0.00 39.64 37.70 1joe n ILE 147 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1joe n ALA 148 N -1.09 1.56 0.22 -1.28 0.00 -0.95 -4.46 120.51 114.52 1joe n ALA 148 Ca 0.12 -1.03 0.12 0.00 0.00 0.00 0.00 53.44 52.65 1joe n ALA 148 Cb 0.09 -0.06 0.15 0.00 0.00 0.00 0.00 19.45 19.62 1joe n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1joe h ARG 149 N 0.00 0.00 -3.58 0.00 3.08 -1.12 -3.50 114.38 109.26 1joe h ARG 149 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1joe h ARG 149 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.97 1joe h ARG 149 CO -0.02 0.00 -0.84 0.41 -1.07 0.00 0.00 179.97 178.45 1joe n GLY 150 N 1.13 -4.81 3.71 0.04 0.00 -0.57 -4.80 105.19 99.88 1joe n GLY 150 Ca 0.03 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1joe n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1joe s ILE 151 N -2.04 3.17 0.00 -0.61 -1.09 -1.26 -4.63 121.20 114.74 1joe s ILE 151 Ca 0.00 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1joe s ILE 151 Cb 0.00 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1joe s ILE 151 CO 0.00 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1joe n GLY 152 N 3.62 1.62 3.40 6.18 0.00 0.33 -4.87 105.19 115.48 1joe n GLY 152 Ca 0.13 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 1joe n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joe s VAL 153 N 2.34 0.00 0.07 1.61 1.01 -1.26 -2.32 120.40 121.85 1joe s VAL 153 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1joe s VAL 153 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1joe s VAL 153 CO 0.00 -0.01 -0.23 0.20 0.00 0.00 0.00 175.10 175.06 1joe s ASN 154 N 0.15 2.72 -0.29 3.32 0.01 -1.09 -4.91 114.94 114.85 1joe s ASN 154 Ca -0.01 -0.60 0.02 0.00 -0.71 0.00 0.00 52.86 51.56 1joe s ASN 154 Cb -0.03 -0.21 0.08 0.00 0.41 0.00 0.00 41.25 41.50 1joe s ASN 154 CO 0.01 0.16 -0.00 -1.59 -1.51 0.00 0.00 177.10 174.17 1joe s LYS 155 N -1.47 1.55 0.00 -0.60 0.00 -1.26 -4.33 119.74 113.63 1joe s LYS 155 Ca 0.09 -1.42 0.00 0.00 0.00 0.00 0.00 55.97 54.64 1joe s LYS 155 Cb -0.09 -2.80 0.00 0.00 0.00 0.00 0.00 37.83 34.94 1joe s LYS 155 CO 0.03 -0.78 0.00 0.09 0.00 0.00 0.00 175.35 174.69