#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjg s THR 2 N 0.00 -0.00 -0.03 3.17 2.01 -1.26 -5.16 115.64 114.38 1jjg s THR 2 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1jjg s THR 2 Cb 0.00 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.58 1jjg s THR 2 CO 0.00 0.00 -0.02 0.68 -0.69 0.00 0.00 174.62 174.60 1jjg s VAL 3 N 0.89 0.26 -0.18 3.82 -7.23 -1.26 -5.02 120.40 111.69 1jjg s VAL 3 Ca -0.04 0.00 0.15 0.00 -1.81 0.00 0.00 61.98 60.28 1jjg s VAL 3 Cb -0.05 -0.32 0.38 0.00 0.56 0.00 0.00 36.38 36.94 1jjg s VAL 3 CO -0.08 0.15 1.22 -0.38 -0.31 0.00 0.00 175.10 175.70 1jjg n ILE 4 N 3.90 2.10 -0.10 -0.62 5.41 -1.26 -4.78 119.36 124.02 1jjg n ILE 4 Ca -0.24 -2.68 -0.06 0.00 1.00 0.00 0.00 62.75 60.76 1jjg n ILE 4 Cb 0.52 -0.25 -0.00 0.00 -0.71 0.00 0.00 39.64 39.20 1jjg n ILE 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1jjg h LYS 5 N 0.60 -0.17 -6.49 0.38 3.64 -2.07 -3.39 116.57 109.08 1jjg h LYS 5 Ca 0.02 0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.88 1jjg h LYS 5 Cb 1.08 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1jjg h LYS 5 CO 0.05 -0.11 0.43 -1.25 -2.27 0.00 0.00 179.45 176.30 1jjg s PRO 6 N -6.11 4.55 -0.41 1.90 0.04 -1.26 -5.00 135.00 128.71 1jjg s PRO 6 Ca -0.14 1.56 0.06 0.00 0.04 0.00 0.00 61.00 62.52 1jjg s PRO 6 Cb 0.14 -3.39 0.22 0.00 0.04 0.00 0.00 34.50 31.50 1jjg s PRO 6 CO 0.69 -0.05 0.49 0.43 0.04 0.00 0.00 177.00 178.60 1jjg n SER 7 N 3.53 -0.45 -1.48 6.66 7.64 -1.26 -5.09 113.62 123.17 1jjg n SER 7 Ca 0.06 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1jjg n SER 7 Cb 0.49 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1jjg n SER 7 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1jjg n SER 8 N 2.02 -8.04 -3.83 6.43 7.64 -1.26 -4.86 113.62 111.72 1jjg n SER 8 Ca 0.23 1.29 -0.29 0.00 1.01 0.00 0.00 58.87 61.12 1jjg n SER 8 Cb 0.52 -4.47 -0.12 0.00 -1.01 0.00 0.00 64.21 59.13 1jjg n SER 8 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1jjg s ARG 9 N -4.23 1.98 -0.02 1.43 3.52 -1.26 -4.95 118.95 115.42 1jjg s ARG 9 Ca 0.00 -2.81 -0.01 0.00 -0.13 0.00 0.00 55.73 52.77 1jjg s ARG 9 Cb 0.00 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 1jjg s ARG 9 CO 0.00 -1.23 0.13 -1.00 -0.81 0.00 0.00 175.30 172.39 1jjg h PRO 10 N 5.92 -0.04 -3.86 5.12 0.13 -2.05 -3.48 132.00 133.74 1jjg h PRO 10 Ca 0.07 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.00 1jjg h PRO 10 Cb 0.83 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 31.72 1jjg h PRO 10 CO 0.64 -0.03 -0.71 1.03 -0.23 0.00 0.00 178.00 178.70 1jjg s ARG 11 N -1.44 0.14 -1.07 0.86 0.52 -1.26 -5.08 118.95 111.62 1jjg s ARG 11 Ca -0.01 -0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 54.73 1jjg s ARG 11 Cb 0.00 0.02 0.04 0.00 0.52 0.00 0.00 34.95 35.53 1jjg s ARG 11 CO 0.02 -0.01 1.57 -1.25 0.02 0.00 0.00 175.30 175.64 1jjg s PRO 12 N -0.59 3.54 -0.51 3.54 0.04 -1.26 -4.78 135.00 134.99 1jjg s PRO 12 Ca -0.06 -1.22 0.06 0.00 0.04 0.00 0.00 61.00 59.82 1jjg s PRO 12 Cb -0.04 -5.37 0.20 0.00 0.04 0.00 0.00 34.50 29.34 1jjg s PRO 12 CO -0.00 -2.38 0.78 -2.13 0.04 0.00 0.00 177.00 173.30 1jjg n ARG 13 N 8.77 0.58 -2.82 4.56 0.63 -1.26 -5.03 116.66 122.08 1jjg n ARG 13 Ca 0.37 -1.93 -0.11 0.00 -0.92 0.00 0.00 57.85 55.27 1jjg n ARG 13 Cb 0.49 -1.41 0.06 0.00 0.45 0.00 0.00 32.46 32.05 1jjg n ARG 13 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1jjg n LYS 14 N 2.64 1.04 -1.63 -0.14 2.85 -1.26 -5.07 118.16 116.59 1jjg n LYS 14 Ca 0.16 -2.30 -0.01 0.00 -1.05 0.00 0.00 58.31 55.11 1jjg n LYS 14 Cb 0.58 -1.05 -0.00 0.00 -0.65 0.00 0.00 35.03 33.90 1jjg n LYS 14 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jjg n ASN 15 N 0.19 -4.06 -4.61 -5.58 3.02 -1.26 -4.87 115.26 98.09 1jjg n ASN 15 Ca 0.09 0.68 -0.43 0.00 -0.03 0.00 0.00 54.58 54.89 1jjg n ASN 15 Cb 0.72 -2.66 -0.02 0.00 -0.61 0.00 0.00 39.78 37.21 1jjg n ASN 15 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jjg s LYS 16 N -1.32 3.77 0.02 3.52 1.02 -1.26 -4.96 119.74 120.53 1jjg s LYS 16 Ca -0.03 0.81 -0.28 0.00 0.02 0.00 0.00 55.97 56.50 1jjg s LYS 16 Cb 0.00 -3.90 0.09 0.00 -0.52 0.00 0.00 37.83 33.50 1jjg s LYS 16 CO 0.08 -1.31 0.75 -0.80 -0.92 0.00 0.00 175.35 173.15 1jjg s ASN 17 N 2.68 -0.51 0.00 2.83 -0.87 -1.26 -5.18 114.94 112.63 1jjg s ASN 17 Ca 0.51 0.24 0.00 0.00 -1.57 0.00 0.00 52.86 52.05 1jjg s ASN 17 Cb -0.10 0.49 0.00 0.00 -0.02 0.00 0.00 41.25 41.61 1jjg s ASN 17 CO 0.28 -0.70 0.00 2.30 -2.57 0.00 0.00 177.10 176.42 1jjg n ILE 18 N 0.15 0.00 0.00 0.60 -5.35 -1.26 -5.18 119.36 108.32 1jjg n ILE 18 Ca -0.14 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1jjg n ILE 18 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1jjg n ILE 18 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1jjg n LYS 19 N 0.00 0.00 -3.61 6.28 4.81 -1.26 -5.15 118.16 119.23 1jjg n LYS 19 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1jjg n LYS 19 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 1jjg n LYS 19 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1jjg s VAL 20 N -2.00 -0.29 0.37 3.15 1.01 -1.26 -5.15 120.40 116.23 1jjg s VAL 20 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.24 1jjg s VAL 20 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1jjg s VAL 20 CO 0.00 0.02 0.12 0.20 0.00 0.00 0.00 175.10 175.43 1jjg s ASN 21 N 2.31 4.43 0.50 3.32 -0.87 -1.26 -5.09 114.94 118.28 1jjg s ASN 21 Ca 0.04 -0.95 -0.23 0.00 -1.57 0.00 0.00 52.86 50.15 1jjg s ASN 21 Cb -0.13 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.25 40.45 1jjg s ASN 21 CO -0.08 -0.36 1.31 -0.89 -2.57 0.00 0.00 177.10 174.50 1jjg s THR 22 N -2.52 2.41 0.75 1.60 2.01 -1.26 -5.01 115.64 113.62 1jjg s THR 22 Ca 0.38 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 1jjg s THR 22 Cb 0.00 -3.17 0.14 0.00 0.01 0.00 0.00 72.50 69.49 1jjg s THR 22 CO 0.22 0.01 1.03 -0.47 -0.69 0.00 0.00 174.62 174.71 1jjg s TYR 23 N -1.36 1.56 0.12 4.92 5.04 -1.26 -5.00 117.35 121.37 1jjg s TYR 23 Ca 0.67 -0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 55.00 1jjg s TYR 23 Cb -0.37 -3.11 -0.12 0.00 0.35 0.00 0.00 41.96 38.70 1jjg s TYR 23 CO 0.45 -1.82 1.29 -0.09 -1.34 0.00 0.00 175.55 174.04 1jjg h ARG 24 N -0.66 0.55 -6.26 4.97 2.43 -2.08 -3.43 114.38 109.92 1jjg h ARG 24 Ca -0.37 -0.55 -0.56 0.00 -0.81 0.00 0.00 59.98 57.69 1jjg h ARG 24 Cb 1.26 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.93 1jjg h ARG 24 CO 0.40 1.18 0.74 0.95 -1.51 0.00 0.00 179.97 181.73 1jjg s THR 25 N -3.41 4.33 0.11 0.20 -4.23 -1.26 -4.98 115.64 106.40 1jjg s THR 25 Ca -0.08 1.64 -0.31 0.00 -1.18 0.00 0.00 61.69 61.76 1jjg s THR 25 Cb 0.08 -4.05 -0.07 0.00 1.34 0.00 0.00 72.50 69.80 1jjg s THR 25 CO 0.89 -0.04 1.33 -0.94 -0.54 0.00 0.00 174.62 175.31 1jjg s SER 26 N 1.55 6.90 -0.30 3.99 1.04 -1.26 -4.99 113.70 120.63 1jjg s SER 26 Ca 0.54 2.24 -0.07 0.00 0.48 0.00 0.00 55.95 59.14 1jjg s SER 26 Cb -0.23 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.31 1jjg s SER 26 CO 0.19 -0.59 0.10 0.00 0.98 0.00 0.00 173.24 173.91 1jjg s ALA 27 N 1.02 3.10 0.49 5.32 0.00 -1.26 -5.09 121.76 125.34 1jjg s ALA 27 Ca 0.62 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1jjg s ALA 27 Cb -0.35 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1jjg s ALA 27 CO 0.30 -0.94 0.70 -1.64 0.00 0.00 0.00 175.76 174.19 1jjg s MET 28 N 1.52 2.80 -0.41 0.00 -1.94 -1.26 -5.06 119.30 114.95 1jjg s MET 28 Ca 0.03 -0.72 0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1jjg s MET 28 Cb -0.17 -2.56 0.34 0.00 2.01 0.00 0.00 34.83 34.45 1jjg s MET 28 CO 0.03 -0.46 0.90 -0.25 -0.01 0.00 0.00 175.02 175.23 1jjg n ASP 29 N -2.16 -0.53 -3.97 3.03 8.00 -1.26 -5.07 116.55 114.60 1jjg n ASP 29 Ca 0.05 -3.31 -0.31 0.00 0.71 0.00 0.00 54.79 51.93 1jjg n ASP 29 Cb 0.59 0.47 -0.15 0.00 -0.02 0.00 0.00 41.12 42.01 1jjg n ASP 29 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jjg s LEU 30 N -2.36 3.96 -0.00 0.64 0.20 -1.26 -5.02 118.68 114.84 1jjg s LEU 30 Ca 0.32 -1.89 -0.29 0.00 0.69 0.00 0.00 54.13 52.96 1jjg s LEU 30 Cb 0.32 -1.44 0.10 0.00 -0.43 0.00 0.00 46.19 44.75 1jjg s LEU 30 CO -0.07 -0.35 1.06 -0.94 -0.29 0.00 0.00 176.35 175.77 1jjg s SER 31 N 1.10 -0.19 -0.99 3.68 1.04 -1.26 -5.08 113.70 111.99 1jjg s SER 31 Ca 0.07 -0.15 -0.23 0.00 0.48 0.00 0.00 55.95 56.12 1jjg s SER 31 Cb -0.19 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.28 1jjg s SER 31 CO -0.11 -0.55 1.53 -2.16 0.98 0.00 0.00 173.24 172.94 1jjg s PRO 32 N -2.87 3.40 0.00 4.02 0.04 -1.26 -4.12 135.00 134.21 1jjg s PRO 32 Ca 0.10 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.20 1jjg s PRO 32 Cb 0.00 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1jjg s PRO 32 CO -0.04 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1jjg n GLY 33 N 6.83 0.58 3.28 0.56 0.00 -0.59 -4.98 105.19 110.88 1jjg n GLY 33 Ca 0.33 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1jjg n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jjg s SER 34 N 0.00 0.99 -0.11 1.61 0.15 -1.22 -4.94 113.70 110.18 1jjg s SER 34 Ca 0.00 -1.47 0.03 0.00 0.70 0.00 0.00 55.95 55.22 1jjg s SER 34 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1jjg s SER 34 CO 0.00 -0.84 -0.23 0.68 1.20 0.00 0.00 173.24 174.05 1jjg s VAL 35 N -3.82 2.01 0.20 4.45 -7.23 -1.26 -1.88 120.40 112.87 1jjg s VAL 35 Ca 0.38 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 1jjg s VAL 35 Cb 0.06 -1.76 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 1jjg s VAL 35 CO 0.15 0.55 0.38 -2.28 -0.31 0.00 0.00 175.10 173.59 1jjg s HIS 36 N 0.51 0.33 -0.17 2.82 5.04 -0.94 -5.01 115.29 117.87 1jjg s HIS 36 Ca -0.15 -0.69 -0.09 0.00 -1.54 0.00 0.00 55.06 52.60 1jjg s HIS 36 Cb -0.17 0.07 -0.05 0.00 0.04 0.00 0.00 32.58 32.48 1jjg s HIS 36 CO 0.05 -0.84 0.12 -1.21 -2.34 0.00 0.00 174.74 170.53 1jjg s GLU 37 N -3.98 3.91 0.31 2.88 0.41 -1.26 -1.16 118.70 119.81 1jjg s GLU 37 Ca 0.18 -0.21 -0.02 0.00 -0.41 0.00 0.00 54.97 54.52 1jjg s GLU 37 Cb 0.01 -3.31 -0.01 0.00 -1.78 0.00 0.00 34.13 29.04 1jjg s GLU 37 CO 0.03 0.45 0.40 0.20 -0.49 0.00 0.00 175.26 175.85 1jjg s GLY 38 N -0.09 1.54 0.31 -1.39 0.00 -0.68 -4.94 107.32 102.07 1jjg s GLY 38 Ca 0.10 -1.57 0.02 0.00 0.00 0.00 0.00 44.72 43.26 1jjg s GLY 38 CO 0.00 -1.09 0.49 -0.42 0.00 0.00 0.00 173.10 172.08 1jjg s ILE 39 N -3.35 5.15 0.38 0.90 1.09 -0.73 -2.13 121.20 122.52 1jjg s ILE 39 Ca 0.32 -0.63 0.08 0.00 -1.10 0.00 0.00 60.65 59.32 1jjg s ILE 39 Cb 0.01 -3.86 -0.04 0.00 -1.06 0.00 0.00 42.46 37.51 1jjg s ILE 39 CO 0.19 -0.49 0.21 -0.69 -0.10 0.00 0.00 174.94 174.07 1jjg s VAL 40 N -2.21 2.69 -0.03 2.92 1.01 -1.04 -1.86 120.40 121.87 1jjg s VAL 40 Ca 0.38 -1.62 -0.27 0.00 0.00 0.00 0.00 61.98 60.47 1jjg s VAL 40 Cb -0.09 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.35 1jjg s VAL 40 CO 0.34 -0.08 0.60 -0.47 0.00 0.00 0.00 175.10 175.49 1jjg s TYR 41 N -2.50 -0.56 -0.25 5.22 5.04 0.72 -3.75 117.35 121.28 1jjg s TYR 41 Ca 0.41 0.92 -0.09 0.00 -2.44 0.00 0.00 57.07 55.88 1jjg s TYR 41 Cb -0.00 0.35 -0.04 0.00 0.35 0.00 0.00 41.96 42.62 1jjg s TYR 41 CO 0.24 -0.57 0.11 0.12 -1.34 0.00 0.00 175.55 174.10 1jjg s PHE 42 N -1.32 3.14 0.39 4.97 5.36 -1.26 -1.75 117.98 127.51 1jjg s PHE 42 Ca -0.11 -0.21 0.08 0.00 -0.96 0.00 0.00 56.93 55.73 1jjg s PHE 42 Cb -0.01 -2.27 -0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1jjg s PHE 42 CO 0.08 -0.25 0.31 0.21 -1.46 0.00 0.00 175.22 174.10 1jjg s LYS 43 N 1.57 2.51 0.00 10.12 2.20 -0.91 -4.95 119.74 130.28 1jjg s LYS 43 Ca 0.06 -1.54 0.16 0.00 -0.36 0.00 0.00 55.97 54.30 1jjg s LYS 43 Cb -0.15 -2.32 0.60 0.00 -1.51 0.00 0.00 37.83 34.46 1jjg s LYS 43 CO 0.06 -0.09 1.44 -3.47 -0.36 0.00 0.00 175.35 172.93 1jjg n ASP 44 N -1.42 1.44 0.00 1.43 2.03 -1.26 -4.09 116.55 114.68 1jjg n ASP 44 Ca 0.01 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.54 1jjg n ASP 44 Cb 0.62 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1jjg n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjg n GLY 45 N 1.03 0.00 0.00 0.27 0.00 -1.26 -5.14 105.19 100.09 1jjg n GLY 45 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jjg n GLY 45 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jjg n ILE 46 N -1.36 0.00 -3.89 -0.61 0.13 -1.26 -5.16 119.36 107.21 1jjg n ILE 46 Ca 0.00 0.00 -0.22 0.00 -1.10 0.00 0.00 62.75 61.43 1jjg n ILE 46 Cb 0.21 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.97 1jjg n ILE 46 CO 0.00 0.00 0.00 -0.36 2.80 0.00 0.00 176.55 178.99 1jjg s PHE 47 N -1.51 2.89 0.03 9.51 0.08 -0.92 -2.15 117.98 125.91 1jjg s PHE 47 Ca 0.00 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 56.78 1jjg s PHE 47 Cb 0.00 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 1jjg s PHE 47 CO 0.00 0.25 -0.08 0.21 -0.10 0.00 0.00 175.22 175.50 1jjg s LYS 48 N -3.95 0.56 -0.04 0.44 2.20 -0.72 -1.22 119.74 117.01 1jjg s LYS 48 Ca 0.39 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 55.37 1jjg s LYS 48 Cb -0.06 -0.41 0.01 0.00 -1.51 0.00 0.00 37.83 35.86 1jjg s LYS 48 CO 0.26 0.09 -0.10 0.08 -0.36 0.00 0.00 175.35 175.31 1jjg s VAL 49 N -1.08 0.92 -0.18 4.02 1.01 -0.54 -0.20 120.40 124.36 1jjg s VAL 49 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1jjg s VAL 49 Cb -0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1jjg s VAL 49 CO 0.00 0.29 -0.11 -0.60 0.00 0.00 0.00 175.10 174.69 1jjg s ARG 50 N 0.37 3.30 -1.37 2.72 3.52 -0.78 -0.12 118.95 126.59 1jjg s ARG 50 Ca -0.07 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 54.74 1jjg s ARG 50 Cb -0.11 -2.78 0.10 0.00 -1.56 0.00 0.00 34.95 30.60 1jjg s ARG 50 CO 0.01 -0.05 2.15 -0.11 -0.81 0.00 0.00 175.30 176.49 1jjg n LEU 51 N 4.31 7.11 -4.46 -0.88 0.00 -0.87 -1.77 117.00 120.44 1jjg n LEU 51 Ca -0.19 -4.52 -0.40 0.00 0.00 0.00 0.00 56.01 50.90 1jjg n LEU 51 Cb 0.51 -1.52 0.02 0.00 0.00 0.00 0.00 43.42 42.43 1jjg n LEU 51 CO 0.29 1.47 0.08 -0.11 0.00 0.00 0.00 177.39 179.12 1jjg n LEU 52 N 4.13 0.35 0.00 -1.96 0.00 -1.26 -2.27 117.00 115.99 1jjg n LEU 52 Ca 0.50 0.85 0.00 0.00 0.00 0.00 0.00 56.01 57.35 1jjg n LEU 52 Cb 0.34 -1.15 0.00 0.00 0.00 0.00 0.00 43.42 42.62 1jjg n LEU 52 CO 0.83 -2.91 0.00 0.61 0.00 0.00 0.00 177.39 175.92 1jjg n GLY 53 N 1.76 3.03 0.16 -3.96 0.00 -1.26 -4.76 105.19 100.17 1jjg n GLY 53 Ca 0.11 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1jjg n GLY 53 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jjg h TYR 54 N 0.00 0.00 -5.82 1.61 0.05 -1.83 -3.49 116.97 107.49 1jjg h TYR 54 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jjg h TYR 54 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1jjg h TYR 54 CO 0.00 0.00 -0.93 0.39 -1.05 0.00 0.00 178.16 176.57 1jjg n GLU 55 N -2.62 -1.85 0.00 4.88 -0.58 -1.26 -4.37 120.64 114.84 1jjg n GLU 55 Ca 0.04 1.74 0.00 0.00 -0.42 0.00 0.00 57.16 58.52 1jjg n GLU 55 Cb 0.42 -2.76 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 1jjg n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jjg n GLY 56 N 1.31 1.49 3.53 0.62 0.00 -1.26 -5.04 105.19 105.84 1jjg n GLY 56 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1jjg n GLY 56 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jjg s HIS 57 N -1.54 2.63 -0.42 1.61 2.46 -1.26 -4.49 115.29 114.28 1jjg s HIS 57 Ca 0.00 -0.88 -0.16 0.00 0.47 0.00 0.00 55.06 54.49 1jjg s HIS 57 Cb 0.00 -4.60 0.02 0.00 -0.13 0.00 0.00 32.58 27.87 1jjg s HIS 57 CO 0.00 -1.85 0.35 -2.00 -2.47 0.00 0.00 174.74 168.77 1jjg s GLU 58 N 4.56 3.01 0.52 2.88 2.56 -0.95 -2.05 118.70 129.23 1jjg s GLU 58 Ca 0.42 -0.95 0.07 0.00 0.00 0.00 0.00 54.97 54.51 1jjg s GLU 58 Cb -0.02 -3.99 0.05 0.00 2.00 0.00 0.00 34.13 32.17 1jjg s GLU 58 CO -0.07 -0.80 0.71 0.00 -0.56 0.00 0.00 175.26 174.53 1jjg s ILE 60 N -2.58 0.04 -0.52 0.00 -5.25 0.70 -1.47 121.20 112.12 1jjg s ILE 60 Ca 0.59 -0.36 -0.17 0.00 -0.99 0.00 0.00 60.65 59.72 1jjg s ILE 60 Cb -0.08 -0.58 0.10 0.00 2.95 0.00 0.00 42.46 44.84 1jjg s ILE 60 CO 0.37 -0.20 0.52 -0.22 -1.79 0.00 0.00 174.94 173.62 1jjg s LEU 61 N -0.97 5.68 0.00 0.37 2.96 -0.36 -1.47 118.68 124.88 1jjg s LEU 61 Ca -0.10 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.36 1jjg s LEU 61 Cb -0.05 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1jjg s LEU 61 CO 0.03 -0.85 0.00 -0.11 -1.32 0.00 0.00 176.35 174.11 1jjg n LEU 62 N 5.58 0.00 0.04 -0.68 7.94 -0.75 -2.17 117.00 126.95 1jjg n LEU 62 Ca -0.12 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.64 1jjg n LEU 62 Cb 0.42 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.23 1jjg n LEU 62 CO 0.53 0.00 -0.39 0.44 -1.11 0.00 0.00 177.39 176.85 1jjg h ASP 63 N 0.00 0.28 -0.94 1.96 5.19 -1.60 -3.33 116.42 117.99 1jjg h ASP 63 Ca 0.00 -0.44 0.28 0.00 -0.62 0.00 0.00 57.03 56.25 1jjg h ASP 63 Cb 0.61 -0.09 -0.16 0.00 0.18 0.00 0.00 39.33 39.87 1jjg h ASP 63 CO 0.00 1.37 0.28 0.22 -3.12 0.00 0.00 179.24 178.00 1jjg h TYR 64 N 0.05 0.41 -0.56 4.55 3.20 -1.80 0.79 116.97 123.61 1jjg h TYR 64 Ca -0.25 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.59 1jjg h TYR 64 Cb 2.00 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 40.22 1jjg h TYR 64 CO 0.05 -0.30 0.04 -0.07 -1.64 0.00 0.00 178.16 176.24 1jjg h LEU 65 N 0.15 0.94 -9.17 2.82 4.07 -1.87 -3.44 115.31 108.81 1jjg h LEU 65 Ca 0.63 -0.29 -0.61 0.00 0.08 0.00 0.00 57.88 57.70 1jjg h LEU 65 Cb 1.39 -0.25 0.15 0.00 1.08 0.00 0.00 40.66 43.04 1jjg h LEU 65 CO -0.73 0.99 -0.68 -3.20 -1.08 0.00 0.00 178.44 173.74 1jjg n ASN 66 N -4.29 -1.91 -3.46 -0.43 5.15 0.27 -2.70 115.26 107.89 1jjg n ASN 66 Ca 0.02 0.85 -0.15 0.00 -0.60 0.00 0.00 54.58 54.70 1jjg n ASN 66 Cb 0.30 -1.00 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 1jjg n ASN 66 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1jjg n TYR 67 N -0.99 -2.50 -3.36 1.20 4.02 -1.26 -4.88 117.16 109.38 1jjg n TYR 67 Ca 0.11 0.99 -0.46 0.00 -0.01 0.00 0.00 57.90 58.54 1jjg n TYR 67 Cb 0.40 -3.28 -0.02 0.00 -0.02 0.00 0.00 39.34 36.42 1jjg n TYR 67 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1jjg s ARG 68 N -3.97 3.68 0.00 -0.72 3.52 -1.10 -4.78 118.95 115.58 1jjg s ARG 68 Ca 0.03 -2.67 0.20 0.00 -0.13 0.00 0.00 55.73 53.16 1jjg s ARG 68 Cb -0.01 -4.41 -0.07 0.00 -1.56 0.00 0.00 34.95 28.91 1jjg s ARG 68 CO 0.83 -1.27 0.96 0.00 -0.81 0.00 0.00 175.30 175.01 1jjg n GLN 69 N 3.59 1.14 -3.91 5.12 10.64 -1.26 -4.72 117.38 127.99 1jjg n GLN 69 Ca 0.16 -0.68 -0.30 0.00 -1.83 0.00 0.00 57.00 54.36 1jjg n GLN 69 Cb 0.44 -1.42 -0.14 0.00 -0.86 0.00 0.00 30.24 28.27 1jjg n GLN 69 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1jjg s ASP 70 N -2.45 4.19 -0.71 2.61 2.15 -1.26 -5.05 116.67 116.15 1jjg s ASP 70 Ca 0.14 -2.94 -0.33 0.00 0.43 0.00 0.00 52.55 49.86 1jjg s ASP 70 Cb 0.16 -1.53 -0.17 0.00 -0.30 0.00 0.00 42.92 41.09 1jjg s ASP 70 CO 0.60 -0.24 2.47 0.35 -0.17 0.00 0.00 175.17 178.18 1jjg n THR 71 N 3.19 0.01 -2.61 1.71 -2.24 -1.26 -4.76 114.28 108.32 1jjg n THR 71 Ca 0.06 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 1jjg n THR 71 Cb 0.33 -1.15 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 1jjg n THR 71 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1jjg n LEU 72 N 11.02 3.24 -0.00 3.22 0.00 -1.26 -4.77 117.00 128.44 1jjg n LEU 72 Ca 0.54 -4.65 0.10 0.00 0.00 0.00 0.00 56.01 52.01 1jjg n LEU 72 Cb 0.16 -0.06 -0.13 0.00 0.00 0.00 0.00 43.42 43.38 1jjg n LEU 72 CO 0.85 1.98 -0.17 0.47 0.00 0.00 0.00 177.39 180.52 1jjg n ASP 73 N -0.27 0.82 -0.15 1.96 9.92 -1.26 -4.31 116.55 123.26 1jjg n ASP 73 Ca 0.26 -0.82 -0.11 0.00 -0.53 0.00 0.00 54.79 53.58 1jjg n ASP 73 Cb 0.71 1.18 -0.01 0.00 -0.64 0.00 0.00 41.12 42.35 1jjg n ASP 73 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1jjg h ARG 74 N 0.00 0.91 -1.39 -1.24 3.08 -2.00 -2.76 114.38 110.99 1jjg h ARG 74 Ca 0.00 -0.39 0.41 0.00 0.07 0.00 0.00 59.98 60.08 1jjg h ARG 74 Cb 0.59 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.52 1jjg h ARG 74 CO 0.00 1.04 0.95 1.25 -1.07 0.00 0.00 179.97 182.14 1jjg h LEU 75 N 0.75 0.15 -0.03 3.04 6.46 -1.96 -0.83 115.31 122.89 1jjg h LEU 75 Ca 0.10 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1jjg h LEU 75 Cb 0.75 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 1jjg h LEU 75 CO 0.06 -0.04 -0.34 0.11 -0.62 0.00 0.00 178.44 177.61 1jjg h LYS 76 N 0.09 -0.39 -0.87 1.25 1.57 -1.76 0.19 116.57 116.65 1jjg h LYS 76 Ca 0.74 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.78 1jjg h LYS 76 Cb 2.58 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 34.94 1jjg h LYS 76 CO -0.19 -0.26 0.61 1.49 -0.57 0.00 0.00 179.45 180.54 1jjg h GLU 77 N -0.40 0.09 -0.00 3.15 4.81 -1.34 -1.26 114.58 119.63 1jjg h GLU 77 Ca 0.01 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1jjg h GLU 77 Cb 0.44 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1jjg h GLU 77 CO -0.24 0.06 -0.28 -0.09 -0.73 0.00 0.00 179.01 177.73 1jjg h ARG 78 N 0.09 -0.34 0.00 1.92 1.12 -0.52 -3.42 114.38 113.23 1jjg h ARG 78 Ca 0.43 0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 59.21 1jjg h ARG 78 Cb 1.54 0.08 -0.11 0.00 -0.01 0.00 0.00 29.97 31.47 1jjg h ARG 78 CO -0.05 -0.23 0.07 -0.11 -3.11 0.00 0.00 179.97 176.54 1jjg n LEU 79 N -4.06 -1.30 -4.10 3.80 7.94 -0.86 -5.13 117.00 113.30 1jjg n LEU 79 Ca -0.04 -2.06 -0.36 0.00 -1.11 0.00 0.00 56.01 52.44 1jjg n LEU 79 Cb 0.21 0.84 0.07 0.00 0.53 0.00 0.00 43.42 45.07 1jjg n LEU 79 CO 0.06 1.42 -1.43 0.55 -1.11 0.00 0.00 177.39 176.88 1jjg n VAL 80 N -0.10 0.00 0.00 1.96 3.14 -0.53 -2.38 118.33 120.41 1jjg n VAL 80 Ca -0.16 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1jjg n VAL 80 Cb 0.71 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1jjg n VAL 80 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jjg n GLY 81 N 3.01 2.14 3.02 7.55 0.00 -1.25 -4.98 105.19 114.68 1jjg n GLY 81 Ca -0.01 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1jjg n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjg n ARG 82 N 0.00 -0.59 -3.75 1.61 5.12 -1.00 -2.49 116.66 115.55 1jjg n ARG 82 Ca 0.00 -0.17 -0.33 0.00 -1.93 0.00 0.00 57.85 55.42 1jjg n ARG 82 Cb 0.00 -1.20 -0.05 0.00 -1.16 0.00 0.00 32.46 30.05 1jjg n ARG 82 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1jjg s VAL 83 N -2.06 5.27 0.34 1.55 0.11 -1.26 -2.58 120.40 121.76 1jjg s VAL 83 Ca 0.35 0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.32 1jjg s VAL 83 Cb 0.03 -3.60 0.03 0.00 -1.53 0.00 0.00 36.38 31.31 1jjg s VAL 83 CO 0.53 0.23 0.65 0.27 -3.33 0.00 0.00 175.10 173.45 1jjg s ILE 84 N -1.44 0.00 -0.41 7.04 -0.00 -0.90 -4.99 121.20 120.49 1jjg s ILE 84 Ca 0.33 -1.21 -0.16 0.00 -0.00 0.00 0.00 60.65 59.60 1jjg s ILE 84 Cb -0.13 -2.58 0.02 0.00 -0.00 0.00 0.00 42.46 39.77 1jjg s ILE 84 CO 0.21 0.00 0.38 -0.75 -0.00 0.00 0.00 174.94 174.77 1jjg s LYS 85 N -3.01 3.08 0.34 0.37 2.20 -1.26 -1.68 119.74 119.79 1jjg s LYS 85 Ca 0.20 -0.84 0.08 0.00 -0.36 0.00 0.00 55.97 55.04 1jjg s LYS 85 Cb -0.03 -3.96 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1jjg s LYS 85 CO 0.13 -0.79 0.18 0.95 -0.36 0.00 0.00 175.35 175.46 1jjg s THR 86 N 1.94 3.09 -0.08 3.43 -4.23 -0.31 -2.91 115.64 116.58 1jjg s THR 86 Ca 0.09 -1.61 -0.08 0.00 -1.18 0.00 0.00 61.69 58.91 1jjg s THR 86 Cb -0.18 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1jjg s THR 86 CO 0.12 -0.17 0.20 -0.13 -0.54 0.00 0.00 174.62 174.11 1jjg s ARG 87 N -3.89 3.54 -0.03 3.99 3.00 -0.93 -2.21 118.95 122.42 1jjg s ARG 87 Ca 0.39 -0.04 -0.14 0.00 0.00 0.00 0.00 55.73 55.94 1jjg s ARG 87 Cb -0.03 -3.18 -0.05 0.00 0.00 0.00 0.00 34.95 31.69 1jjg s ARG 87 CO 0.24 0.75 0.37 0.08 0.00 0.00 0.00 175.30 176.73 1jjg s VAL 88 N -1.08 5.11 0.00 3.52 1.01 -0.79 -2.25 120.40 125.92 1jjg s VAL 88 Ca 0.18 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1jjg s VAL 88 Cb -0.13 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1jjg s VAL 88 CO 0.08 0.57 0.00 0.52 0.00 0.00 0.00 175.10 176.26 1jjg n VAL 89 N 1.99 0.00 0.00 2.92 0.31 -0.44 -1.54 118.33 121.57 1jjg n VAL 89 Ca -0.14 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1jjg n VAL 89 Cb 0.53 0.98 0.00 0.00 -0.91 0.00 0.00 33.84 34.44 1jjg n VAL 89 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1jjg n ARG 90 N -0.92 0.00 -3.83 5.55 0.00 -0.84 -4.71 116.66 111.91 1jjg n ARG 90 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1jjg n ARG 90 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 1jjg n ARG 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jjg s ALA 91 N 0.00 3.55 -0.61 5.13 0.00 -1.26 -1.75 121.76 126.82 1jjg s ALA 91 Ca 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 51.96 48.60 1jjg s ALA 91 Cb 0.00 -2.40 0.15 0.00 0.00 0.00 0.00 23.12 20.87 1jjg s ALA 91 CO 0.00 -2.08 0.39 0.34 0.00 0.00 0.00 175.76 174.41 1jjg s ASP 92 N -0.10 4.41 0.00 0.00 2.15 -1.24 -5.02 116.67 116.87 1jjg s ASP 92 Ca 0.19 -3.45 0.00 0.00 0.43 0.00 0.00 52.55 49.72 1jjg s ASP 92 Cb -0.20 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 1jjg s ASP 92 CO -0.04 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 1jjg n GLY 93 N 2.50 0.27 1.01 2.66 0.00 -1.26 -4.54 105.19 105.83 1jjg n GLY 93 Ca 0.14 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.54 1jjg n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jjg n LEU 94 N 0.00 3.21 -4.14 0.99 4.32 -1.26 -4.80 117.00 115.32 1jjg n LEU 94 Ca 0.00 -1.44 -0.28 0.00 -0.02 0.00 0.00 56.01 54.27 1jjg n LEU 94 Cb 0.00 -0.19 -0.17 0.00 -1.62 0.00 0.00 43.42 41.44 1jjg n LEU 94 CO 0.00 0.68 -0.52 -0.47 -1.22 0.00 0.00 177.39 175.86 1jjg s TYR 95 N -1.43 1.97 0.03 -1.77 5.04 -1.25 -2.24 117.35 117.69 1jjg s TYR 95 Ca 0.33 -0.70 0.04 0.00 -2.44 0.00 0.00 57.07 54.30 1jjg s TYR 95 Cb 0.20 -1.34 -0.02 0.00 0.35 0.00 0.00 41.96 41.15 1jjg s TYR 95 CO 0.28 -0.29 -0.11 0.08 -1.34 0.00 0.00 175.55 174.18 1jjg s VAL 96 N 0.31 0.82 -0.04 3.14 1.01 -0.50 -3.65 120.40 121.50 1jjg s VAL 96 Ca -0.12 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1jjg s VAL 96 Cb -0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1jjg s VAL 96 CO 0.05 -0.08 -0.11 -1.81 0.00 0.00 0.00 175.10 173.14 1jjg s ASP 97 N -1.07 4.27 0.26 3.32 1.11 -0.72 -0.21 116.67 123.63 1jjg s ASP 97 Ca -0.02 -0.16 -0.20 0.00 0.18 0.00 0.00 52.55 52.36 1jjg s ASP 97 Cb -0.07 -0.95 0.07 0.00 1.07 0.00 0.00 42.92 43.04 1jjg s ASP 97 CO 0.01 0.33 0.95 -1.48 1.18 0.00 0.00 175.17 176.16 1jjg s LEU 98 N -0.94 0.01 -0.26 1.23 2.34 -0.54 -1.33 118.68 119.19 1jjg s LEU 98 Ca 0.13 -0.85 -0.02 0.00 0.06 0.00 0.00 54.13 53.44 1jjg s LEU 98 Cb -0.11 2.37 0.08 0.00 -0.56 0.00 0.00 46.19 47.98 1jjg s LEU 98 CO 0.02 -1.26 0.08 0.00 -1.06 0.00 0.00 176.35 174.14 1jjg s ARG 99 N -2.21 0.56 0.93 1.48 1.70 -0.95 -1.60 118.95 118.86 1jjg s ARG 99 Ca 0.20 -0.68 -0.13 0.00 -0.47 0.00 0.00 55.73 54.64 1jjg s ARG 99 Cb -0.04 -1.85 0.02 0.00 -0.57 0.00 0.00 34.95 32.51 1jjg s ARG 99 CO 0.08 -0.86 0.38 2.89 -1.08 0.00 0.00 175.30 176.71 1jjg n ARG 100 N 5.02 -0.23 -3.65 3.89 1.85 -1.26 -2.19 116.66 120.10 1jjg n ARG 100 Ca -0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 57.85 56.68 1jjg n ARG 100 Cb 0.44 -1.83 -0.08 0.00 -1.05 0.00 0.00 32.46 29.95 1jjg n ARG 100 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1jjg s PHE 101 N -2.34 -0.96 0.00 2.89 2.19 -1.14 -4.58 117.98 114.04 1jjg s PHE 101 Ca 0.57 1.98 0.00 0.00 0.33 0.00 0.00 56.93 59.81 1jjg s PHE 101 Cb -0.22 0.53 0.00 0.00 -1.31 0.00 0.00 43.02 42.02 1jjg s PHE 101 CO 0.67 -0.48 0.00 0.34 1.83 0.00 0.00 175.22 177.58