#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 -0.99 0.01 2.03 2.01 -1.26 -5.15 115.64 112.29 1jjg s THR 2 Ca 0.00 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1jjg s THR 2 Cb 0.00 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 1jjg s THR 2 CO 0.00 -0.01 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.20 1jjg s VAL 3 N 2.75 0.22 0.88 3.82 1.01 -1.26 -5.14 120.40 122.67 1jjg s VAL 3 Ca 0.10 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1jjg s VAL 3 Cb -0.10 -0.24 0.12 0.00 0.00 0.00 0.00 36.38 36.16 1jjg s VAL 3 CO -0.25 -0.14 1.10 0.27 0.00 0.00 0.00 175.10 176.08 1jjg s ILE 4 N -0.56 2.72 -0.39 2.22 -4.36 -1.26 -5.00 121.20 114.56 1jjg s ILE 4 Ca -0.04 0.23 0.10 0.00 -0.26 0.00 0.00 60.65 60.68 1jjg s ILE 4 Cb -0.04 -2.61 0.33 0.00 1.25 0.00 0.00 42.46 41.39 1jjg s ILE 4 CO -0.00 -0.30 0.80 0.29 0.24 0.00 0.00 174.94 175.96 1jjg n LYS 5 N -3.91 0.95 -2.37 0.37 5.02 -1.26 -5.04 118.16 111.92 1jjg n LYS 5 Ca 0.08 -3.01 -0.40 0.00 -2.02 0.00 0.00 58.31 52.96 1jjg n LYS 5 Cb 0.54 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.02 1jjg n LYS 5 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1jjg n PRO 6 N 0.44 2.81 0.00 1.97 -0.04 -1.26 -4.89 135.00 134.03 1jjg n PRO 6 Ca 0.20 -3.03 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1jjg n PRO 6 Cb 0.66 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 1jjg n PRO 6 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jjg n SER 7 N 9.41 -5.48 -1.99 3.54 7.64 -1.26 -5.01 113.62 120.47 1jjg n SER 7 Ca 0.48 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1jjg n SER 7 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1jjg n SER 7 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1jjg n SER 8 N -2.68 -8.62 -3.37 6.43 2.88 -1.26 -4.70 113.62 102.30 1jjg n SER 8 Ca 0.00 1.31 -0.13 0.00 -1.33 0.00 0.00 58.87 58.72 1jjg n SER 8 Cb 0.00 -4.87 0.00 0.00 -0.75 0.00 0.00 64.21 58.59 1jjg n SER 8 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jjg n ARG 9 N 1.81 -1.52 -0.02 -1.46 1.74 -1.26 -4.94 116.66 111.02 1jjg n ARG 9 Ca 0.00 1.24 -0.07 0.00 -0.77 0.00 0.00 57.85 58.25 1jjg n ARG 9 Cb 0.00 -4.15 -0.06 0.00 -1.02 0.00 0.00 32.46 27.23 1jjg n ARG 9 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1jjg h PRO 10 N 0.36 -0.08 -4.22 5.56 0.13 -1.98 -3.50 132.00 128.26 1jjg h PRO 10 Ca -0.29 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1jjg h PRO 10 Cb 1.18 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1jjg h PRO 10 CO 0.32 0.34 -0.66 -2.13 -0.23 0.00 0.00 178.00 175.64 1jjg n ARG 11 N -4.78 -2.20 0.00 0.86 0.63 -1.26 -5.05 116.66 104.86 1jjg n ARG 11 Ca -0.05 1.93 0.00 0.00 -0.92 0.00 0.00 57.85 58.81 1jjg n ARG 11 Cb 0.22 -3.52 0.00 0.00 0.45 0.00 0.00 32.46 29.61 1jjg n ARG 11 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1jjg n PRO 12 N 0.54 0.00 -3.92 -0.14 -0.04 -1.26 -5.04 135.00 125.14 1jjg n PRO 12 Ca -0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 1jjg n PRO 12 Cb 0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.41 1jjg n PRO 12 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1jjg s ARG 13 N -2.49 1.75 -0.08 0.54 3.52 -1.26 -4.86 118.95 116.07 1jjg s ARG 13 Ca 0.00 -2.36 -0.03 0.00 -0.13 0.00 0.00 55.73 53.22 1jjg s ARG 13 Cb 0.00 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1jjg s ARG 13 CO 0.00 -1.08 0.11 1.17 -0.81 0.00 0.00 175.30 174.69 1jjg n LYS 14 N 3.42 -0.41 -4.66 5.12 4.81 -1.26 -5.05 118.16 120.14 1jjg n LYS 14 Ca 0.05 0.78 -0.33 0.00 -0.87 0.00 0.00 58.31 57.94 1jjg n LYS 14 Cb 0.34 -2.25 -0.13 0.00 0.02 0.00 0.00 35.03 33.01 1jjg n LYS 14 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1jjg s ASN 15 N -1.38 4.29 -0.38 3.14 3.84 -1.26 -4.98 114.94 118.21 1jjg s ASN 15 Ca 0.04 -0.25 0.10 0.00 0.21 0.00 0.00 52.86 52.97 1jjg s ASN 15 Cb -0.01 -1.62 0.39 0.00 -0.55 0.00 0.00 41.25 39.46 1jjg s ASN 15 CO 0.14 0.18 1.43 0.29 -2.79 0.00 0.00 177.10 176.34 1jjg n LYS 16 N 3.43 1.25 -3.85 0.43 4.76 -1.26 -5.08 118.16 117.85 1jjg n LYS 16 Ca -0.18 -1.59 -0.30 0.00 -2.87 0.00 0.00 58.31 53.37 1jjg n LYS 16 Cb 0.53 0.13 -0.15 0.00 -1.84 0.00 0.00 35.03 33.70 1jjg n LYS 16 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1jjg s ASN 17 N -1.17 4.29 -0.59 4.39 -0.87 -1.26 -5.02 114.94 114.71 1jjg s ASN 17 Ca 0.17 -1.95 0.05 0.00 -1.57 0.00 0.00 52.86 49.56 1jjg s ASN 17 Cb 0.42 -1.19 0.19 0.00 -0.02 0.00 0.00 41.25 40.65 1jjg s ASN 17 CO -0.10 -0.39 0.50 2.30 -2.57 0.00 0.00 177.10 176.84 1jjg n ILE 18 N 4.47 0.77 -2.34 0.60 -5.35 -1.26 -4.84 119.36 111.41 1jjg n ILE 18 Ca 0.01 -4.46 0.02 0.00 -0.27 0.00 0.00 62.75 58.06 1jjg n ILE 18 Cb 0.41 -2.01 0.01 0.00 -1.74 0.00 0.00 39.64 36.31 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 1.95 0.00 -3.67 6.28 4.81 -1.26 -5.03 118.16 121.25 1jjg n LYS 19 Ca 0.24 -1.66 -0.10 0.00 -0.87 0.00 0.00 58.31 55.93 1jjg n LYS 19 Cb 0.41 -0.06 -0.11 0.00 0.02 0.00 0.00 35.03 35.30 1jjg n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1jjg s VAL 20 N 0.00 -0.47 -0.76 3.15 0.11 -1.26 -4.97 120.40 116.21 1jjg s VAL 20 Ca 0.23 0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1jjg s VAL 20 Cb 0.27 -0.60 -0.00 0.00 -1.53 0.00 0.00 36.38 34.52 1jjg s VAL 20 CO -0.12 0.07 0.69 0.59 -3.33 0.00 0.00 175.10 173.00 1jjg n ASN 21 N 5.14 -7.33 0.02 3.54 4.13 -1.26 -4.98 115.26 114.51 1jjg n ASN 21 Ca -0.11 -0.22 -0.01 0.00 1.68 0.00 0.00 54.58 55.93 1jjg n ASN 21 Cb 0.51 -4.74 -0.00 0.00 -1.54 0.00 0.00 39.78 34.01 1jjg n ASN 21 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1jjg n THR 22 N -1.91 0.63 -3.24 3.41 -1.04 -1.26 -5.06 114.28 105.81 1jjg n THR 22 Ca -0.05 0.22 -0.10 0.00 -2.04 0.00 0.00 64.05 62.08 1jjg n THR 22 Cb 0.53 -1.38 0.03 0.00 -1.82 0.00 0.00 70.33 67.69 1jjg n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jjg n TYR 23 N -3.06 -2.65 -4.16 -1.42 4.19 -1.26 -4.69 117.16 104.11 1jjg n TYR 23 Ca -0.01 0.96 0.04 0.00 3.31 0.00 0.00 57.90 62.21 1jjg n TYR 23 Cb 0.03 -3.95 -0.01 0.00 0.49 0.00 0.00 39.34 35.90 1jjg n TYR 23 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1jjg n ARG 24 N -2.53 -0.66 -1.53 2.98 3.00 -1.26 -4.72 116.66 111.94 1jjg n ARG 24 Ca -0.06 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 1jjg n ARG 24 Cb 0.56 -0.81 0.00 0.00 0.00 0.00 0.00 32.46 32.21 1jjg n ARG 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1jjg n THR 25 N -2.47 0.12 -2.44 5.15 -2.24 -1.26 -4.92 114.28 106.21 1jjg n THR 25 Ca 0.00 -0.88 -0.29 0.00 -2.27 0.00 0.00 64.05 60.62 1jjg n THR 25 Cb 0.15 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1jjg n THR 25 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jjg n SER 26 N 0.15 5.07 0.00 3.42 3.41 -1.26 -4.89 113.62 119.51 1jjg n SER 26 Ca -0.05 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 1jjg n SER 26 Cb 0.97 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1jjg n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jjg n ALA 27 N -0.47 0.00 0.12 7.33 0.00 -1.26 -5.04 120.51 121.19 1jjg n ALA 27 Ca 0.40 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.90 1jjg n ALA 27 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 1jjg n ALA 27 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jjg n MET 28 N 0.00 1.02 -4.36 0.00 2.81 -1.26 -5.03 117.12 110.30 1jjg n MET 28 Ca 0.00 -0.08 -0.25 0.00 -1.81 0.00 0.00 57.70 55.56 1jjg n MET 28 Cb 0.00 -1.22 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 1jjg n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jjg n ASP 29 N -1.76 1.22 -4.68 7.83 9.92 -1.26 -5.05 116.55 122.77 1jjg n ASP 29 Ca -0.01 -3.14 -0.36 0.00 -0.53 0.00 0.00 54.79 50.75 1jjg n ASP 29 Cb 0.27 1.02 -0.09 0.00 -0.64 0.00 0.00 41.12 41.68 1jjg n ASP 29 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1jjg s LEU 30 N 0.00 4.14 0.34 0.64 1.43 -1.26 -5.04 118.68 118.93 1jjg s LEU 30 Ca 0.20 0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.22 1jjg s LEU 30 Cb 0.01 -2.15 -0.12 0.00 0.03 0.00 0.00 46.19 43.96 1jjg s LEU 30 CO 0.14 0.08 1.19 -1.20 0.23 0.00 0.00 176.35 176.79 1jjg n SER 31 N 4.12 2.21 -4.56 2.29 7.64 -1.26 -4.51 113.62 119.56 1jjg n SER 31 Ca -0.14 1.17 -0.39 0.00 1.01 0.00 0.00 58.87 60.52 1jjg n SER 31 Cb 0.52 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.26 1jjg n SER 31 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jjg s PRO 32 N -1.84 3.32 0.00 1.43 0.04 -1.26 -3.15 135.00 133.53 1jjg s PRO 32 Ca 0.58 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1jjg s PRO 32 Cb -0.59 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 28.88 1jjg s PRO 32 CO 0.61 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1jjg n GLY 33 N 6.57 1.75 3.79 0.56 0.00 -1.20 -5.08 105.19 111.58 1jjg n GLY 33 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.75 4.87 0.21 1.61 0.15 -1.19 -4.95 113.70 112.66 1jjg s SER 34 Ca 0.00 -0.73 0.06 0.00 0.70 0.00 0.00 55.95 55.98 1jjg s SER 34 Cb 0.00 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 1jjg s SER 34 CO 0.00 -0.40 0.20 -0.69 1.20 0.00 0.00 173.24 173.56 1jjg s VAL 35 N -2.42 4.64 0.14 4.45 1.01 -1.26 -1.90 120.40 125.07 1jjg s VAL 35 Ca 0.41 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 1jjg s VAL 35 Cb -0.03 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.97 1jjg s VAL 35 CO 0.24 -0.24 0.63 -2.28 0.00 0.00 0.00 175.10 173.46 1jjg s HIS 36 N -1.95 -0.51 -0.21 5.22 2.46 -0.64 -4.93 115.29 114.73 1jjg s HIS 36 Ca 0.32 0.31 -0.07 0.00 0.47 0.00 0.00 55.06 56.10 1jjg s HIS 36 Cb -0.09 0.56 -0.03 0.00 -0.13 0.00 0.00 32.58 32.89 1jjg s HIS 36 CO 0.25 -0.82 0.05 -1.21 -2.47 0.00 0.00 174.74 170.55 1jjg s GLU 37 N -3.68 3.77 0.30 2.88 2.02 -1.26 -1.76 118.70 120.96 1jjg s GLU 37 Ca 0.02 -0.44 0.05 0.00 0.02 0.00 0.00 54.97 54.62 1jjg s GLU 37 Cb -0.01 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 1jjg s GLU 37 CO -0.12 0.03 0.22 0.20 0.02 0.00 0.00 175.26 175.61 1jjg s GLY 38 N 1.02 2.10 0.43 -1.39 0.00 -0.87 -4.91 107.32 103.69 1jjg s GLY 38 Ca 0.04 -1.90 0.04 0.00 0.00 0.00 0.00 44.72 42.90 1jjg s GLY 38 CO 0.03 -1.49 0.61 -0.42 0.00 0.00 0.00 173.10 171.82 1jjg s ILE 39 N -3.63 3.53 0.23 0.90 1.01 -0.80 -1.62 121.20 120.83 1jjg s ILE 39 Ca 0.39 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1jjg s ILE 39 Cb 0.04 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1jjg s ILE 39 CO 0.22 -0.14 0.10 -0.69 0.00 0.00 0.00 174.94 174.44 1jjg s VAL 40 N -2.43 4.05 0.00 2.92 1.01 -0.67 -1.55 120.40 123.73 1jjg s VAL 40 Ca 0.51 -1.52 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 1jjg s VAL 40 Cb -0.10 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1jjg s VAL 40 CO 0.35 -0.29 0.44 -0.47 0.00 0.00 0.00 175.10 175.13 1jjg s TYR 41 N -2.09 -0.34 -0.22 5.22 6.14 0.54 -3.57 117.35 123.04 1jjg s TYR 41 Ca 0.31 0.46 -0.08 0.00 0.64 0.00 0.00 57.07 58.40 1jjg s TYR 41 Cb -0.08 0.23 -0.04 0.00 0.42 0.00 0.00 41.96 42.49 1jjg s TYR 41 CO 0.22 -0.52 0.09 -0.59 0.64 0.00 0.00 175.55 175.39 1jjg s PHE 42 N -1.78 3.20 0.00 4.97 -0.71 -1.26 -1.15 117.98 121.25 1jjg s PHE 42 Ca -0.09 -0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 1jjg s PHE 42 Cb -0.02 -2.18 0.00 0.00 -1.21 0.00 0.00 43.02 39.61 1jjg s PHE 42 CO 0.03 -0.04 0.00 1.63 -1.34 0.00 0.00 175.22 175.50 1jjg n LYS 43 N 4.20 0.00 -2.24 1.99 5.02 -1.21 -4.97 118.16 120.95 1jjg n LYS 43 Ca -0.16 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.01 1jjg n LYS 43 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1jjg n LYS 43 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jjg n ASP 44 N 0.00 -3.74 -1.47 4.39 2.03 -1.26 -2.26 116.55 114.23 1jjg n ASP 44 Ca 0.00 -0.02 -0.12 0.00 0.52 0.00 0.00 54.79 55.17 1jjg n ASP 44 Cb 0.00 -2.95 -0.05 0.00 -0.72 0.00 0.00 41.12 37.40 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 -1.02 0.97 0.00 0.27 0.00 -1.26 -4.72 105.19 99.43 1jjg n GLY 45 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1jjg n GLY 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jjg n ILE 46 N -1.97 0.00 -4.34 -0.61 -5.35 -0.96 -5.16 119.36 100.98 1jjg n ILE 46 Ca -0.12 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.10 1jjg n ILE 46 Cb 0.42 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.23 1jjg n ILE 46 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1jjg s PHE 47 N 0.31 2.55 -0.01 4.28 0.40 -0.87 -3.36 117.98 121.29 1jjg s PHE 47 Ca 0.00 -0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1jjg s PHE 47 Cb 0.00 -1.65 -0.00 0.00 0.51 0.00 0.00 43.02 41.88 1jjg s PHE 47 CO 0.00 0.40 0.04 0.21 0.70 0.00 0.00 175.22 176.57 1jjg s LYS 48 N -3.76 0.15 -0.06 0.44 2.20 -0.30 -1.14 119.74 117.27 1jjg s LYS 48 Ca 0.36 -0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.89 1jjg s LYS 48 Cb 0.03 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1jjg s LYS 48 CO 0.20 -0.03 -0.18 0.08 -0.36 0.00 0.00 175.35 175.06 1jjg s VAL 49 N -0.42 2.67 -0.21 4.02 1.01 -0.62 -0.34 120.40 126.51 1jjg s VAL 49 Ca -0.05 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1jjg s VAL 49 Cb -0.03 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1jjg s VAL 49 CO -0.00 0.57 0.01 -0.13 0.00 0.00 0.00 175.10 175.55 1jjg s ARG 50 N -0.37 3.60 -1.18 2.72 0.52 -0.60 -1.29 118.95 122.34 1jjg s ARG 50 Ca 0.03 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1jjg s ARG 50 Cb -0.12 -3.12 0.23 0.00 0.52 0.00 0.00 34.95 32.46 1jjg s ARG 50 CO 0.02 -0.04 1.76 1.28 0.02 0.00 0.00 175.30 178.34 1jjg n LEU 51 N 4.41 6.75 -4.58 2.53 4.32 -0.99 -1.91 117.00 127.53 1jjg n LEU 51 Ca -0.17 -4.96 -0.43 0.00 -0.02 0.00 0.00 56.01 50.43 1jjg n LEU 51 Cb 0.52 -1.36 -0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1jjg n LEU 51 CO 0.31 1.62 0.53 -0.11 -1.22 0.00 0.00 177.39 178.52 1jjg n LEU 52 N 2.33 1.97 0.00 2.23 0.00 -1.26 -2.55 117.00 119.72 1jjg n LEU 52 Ca 0.37 1.09 0.00 0.00 0.00 0.00 0.00 56.01 57.46 1jjg n LEU 52 Cb 0.33 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.45 1jjg n LEU 52 CO 0.75 -1.58 0.00 0.61 0.00 0.00 0.00 177.39 177.17 1jjg n GLY 53 N 1.26 3.03 0.27 -3.96 0.00 -1.26 -4.78 105.19 99.75 1jjg n GLY 53 Ca 0.10 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.26 1.61 -1.99 -1.90 -3.49 116.97 106.94 1jjg h TYR 54 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1jjg h TYR 54 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1jjg h TYR 54 CO 0.00 0.06 -0.93 0.39 -0.00 0.00 0.00 178.16 177.69 1jjg n GLU 55 N -3.24 -5.40 -2.06 4.88 1.02 -1.26 -4.64 120.64 109.94 1jjg n GLU 55 Ca -0.00 3.85 -0.06 0.00 -0.02 0.00 0.00 57.16 60.92 1jjg n GLU 55 Cb 0.29 -4.16 -0.00 0.00 -0.02 0.00 0.00 31.44 27.54 1jjg n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jjg n GLY 56 N 1.84 0.16 3.02 0.62 0.00 -1.26 -4.99 105.19 104.58 1jjg n GLY 56 Ca 0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.31 3.30 -0.35 1.61 2.46 -1.26 -4.38 115.29 114.36 1jjg s HIS 57 Ca 0.00 -2.95 -0.11 0.00 0.47 0.00 0.00 55.06 52.47 1jjg s HIS 57 Cb 0.00 -3.01 0.01 0.00 -0.13 0.00 0.00 32.58 29.45 1jjg s HIS 57 CO 0.00 -0.79 0.19 -2.00 -2.47 0.00 0.00 174.74 169.68 1jjg s GLU 58 N -0.22 3.06 0.33 2.88 2.56 -0.63 -2.34 118.70 124.34 1jjg s GLU 58 Ca 0.17 -0.92 0.07 0.00 0.00 0.00 0.00 54.97 54.29 1jjg s GLU 58 Cb -0.23 -3.69 -0.02 0.00 2.00 0.00 0.00 34.13 32.19 1jjg s GLU 58 CO -0.02 -0.59 0.39 0.00 -0.56 0.00 0.00 175.26 174.48 1jjg s ILE 60 N -2.21 0.87 -0.30 0.00 -4.36 -0.14 -1.60 121.20 113.46 1jjg s ILE 60 Ca 0.42 -0.35 -0.13 0.00 -0.26 0.00 0.00 60.65 60.33 1jjg s ILE 60 Cb -0.08 -0.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.79 1jjg s ILE 60 CO 0.29 0.29 0.29 -0.22 0.24 0.00 0.00 174.94 175.83 1jjg s LEU 61 N 0.57 4.19 0.00 0.37 2.96 -0.29 0.01 118.68 126.49 1jjg s LEU 61 Ca -0.10 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1jjg s LEU 61 Cb -0.13 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1jjg s LEU 61 CO 0.02 -0.18 0.00 -0.11 -1.32 0.00 0.00 176.35 174.76 1jjg n LEU 62 N 5.22 0.11 0.15 -0.68 0.00 -0.99 -2.05 117.00 118.76 1jjg n LEU 62 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 56.01 55.96 1jjg n LEU 62 Cb 0.51 0.00 0.53 0.00 0.00 0.00 0.00 43.42 44.45 1jjg n LEU 62 CO 0.36 0.01 1.08 0.44 0.00 0.00 0.00 177.39 179.28 1jjg h ASP 63 N 0.00 0.20 -0.99 1.96 5.19 -1.87 -1.43 116.42 119.49 1jjg h ASP 63 Ca 0.00 -0.01 0.28 0.00 -0.62 0.00 0.00 57.03 56.68 1jjg h ASP 63 Cb 0.04 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 1jjg h ASP 63 CO 0.00 0.18 0.71 0.22 -3.12 0.00 0.00 179.24 177.23 1jjg h TYR 64 N 0.23 0.03 0.25 4.55 3.20 -1.78 -2.14 116.97 121.31 1jjg h TYR 64 Ca 0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1jjg h TYR 64 Cb 0.03 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1jjg h TYR 64 CO 0.00 0.00 -0.12 1.25 -1.64 0.00 0.00 178.16 177.66 1jjg h LEU 65 N 0.02 -0.28 0.00 2.82 5.85 -1.60 -3.46 115.31 118.66 1jjg h LEU 65 Ca 0.47 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1jjg h LEU 65 Cb 1.86 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1jjg h LEU 65 CO -0.01 0.05 0.00 -3.20 -0.34 0.00 0.00 178.44 174.93 1jjg n ASN 66 N -4.26 -0.76 -0.05 1.25 5.15 -0.81 -3.84 115.26 111.94 1jjg n ASN 66 Ca -0.04 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.87 1jjg n ASN 66 Cb 0.13 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.00 0.00 -0.01 1.20 4.01 -1.26 -4.70 117.16 116.39 1jjg n TYR 67 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1jjg n TYR 67 Cb 0.00 -0.37 -0.09 0.00 -0.31 0.00 0.00 39.34 38.57 1jjg n TYR 67 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1jjg h ARG 68 N 0.00 -0.53 -6.54 -0.72 2.43 -1.98 -3.41 114.38 103.63 1jjg h ARG 68 Ca -0.21 0.04 -0.55 0.00 -0.81 0.00 0.00 59.98 58.44 1jjg h ARG 68 Cb 1.33 0.12 0.21 0.00 -0.42 0.00 0.00 29.97 31.21 1jjg h ARG 68 CO -0.03 -0.35 -0.77 1.04 -1.51 0.00 0.00 179.97 178.35 1jjg n GLN 69 N -5.29 0.01 -2.74 0.20 1.13 -1.25 -4.98 117.38 104.47 1jjg n GLN 69 Ca -0.06 0.04 -0.01 0.00 -1.94 0.00 0.00 57.00 55.04 1jjg n GLN 69 Cb 0.36 -1.64 0.02 0.00 0.11 0.00 0.00 30.24 29.09 1jjg n GLN 69 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jjg s ASP 70 N -1.56 -0.38 -0.29 1.08 2.15 -1.26 -4.97 116.67 111.45 1jjg s ASP 70 Ca 0.57 -0.31 -0.21 0.00 0.43 0.00 0.00 52.55 53.04 1jjg s ASP 70 Cb -0.28 0.49 0.14 0.00 -0.30 0.00 0.00 42.92 42.97 1jjg s ASP 70 CO 0.66 -0.03 1.04 0.28 -0.17 0.00 0.00 175.17 176.96 1jjg s THR 71 N 1.50 0.00 0.26 1.71 -1.32 -1.26 -5.02 115.64 111.50 1jjg s THR 71 Ca 0.19 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.84 1jjg s THR 71 Cb 0.07 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.17 1jjg s THR 71 CO -0.12 0.00 1.77 -0.07 -2.21 0.00 0.00 174.62 173.98 1jjg h LEU 72 N 4.99 0.00 -2.65 9.08 4.07 -2.07 -3.48 115.31 125.25 1jjg h LEU 72 Ca -0.28 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.60 1jjg h LEU 72 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1jjg h LEU 72 CO 0.16 0.39 -0.85 0.47 -1.08 0.00 0.00 178.44 177.53 1jjg n ASP 73 N -3.71 -7.30 0.09 -0.43 8.00 -1.26 -4.88 116.55 107.06 1jjg n ASP 73 Ca -0.01 0.62 -0.06 0.00 0.71 0.00 0.00 54.79 56.05 1jjg n ASP 73 Cb 0.48 -4.12 0.04 0.00 -0.02 0.00 0.00 41.12 37.50 1jjg n ASP 73 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1jjg h ARG 74 N 2.51 0.13 -0.19 -1.24 2.47 -2.02 -3.15 114.38 112.90 1jjg h ARG 74 Ca -0.12 -0.13 -0.16 0.00 -1.26 0.00 0.00 59.98 58.31 1jjg h ARG 74 Cb 0.82 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.17 1jjg h ARG 74 CO 0.15 0.86 -0.56 -0.07 0.56 0.00 0.00 179.97 180.91 1jjg h LEU 75 N 0.08 0.63 -2.30 3.04 -0.00 -2.03 -2.80 115.31 111.93 1jjg h LEU 75 Ca -0.03 -0.34 0.03 0.00 -0.00 0.00 0.00 57.88 57.54 1jjg h LEU 75 Cb 1.39 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1jjg h LEU 75 CO 0.12 1.06 0.10 0.11 -0.00 0.00 0.00 178.44 179.82 1jjg h LYS 76 N 0.44 0.00 -0.84 1.13 1.79 -1.89 -1.14 116.57 116.06 1jjg h LYS 76 Ca 0.01 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1jjg h LYS 76 Cb 1.11 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.71 1jjg h LYS 76 CO 0.11 0.00 0.55 0.93 -1.08 0.00 0.00 179.45 179.96 1jjg h GLU 77 N 0.00 1.09 0.02 3.15 5.08 -1.54 0.43 114.58 122.81 1jjg h GLU 77 Ca 0.04 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1jjg h GLU 77 Cb 0.24 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jjg h GLU 77 CO -0.00 0.72 -0.94 -0.09 -1.00 0.00 0.00 179.01 177.70 1jjg h ARG 78 N 1.12 0.12 0.00 2.33 2.43 -1.36 -3.19 114.38 115.83 1jjg h ARG 78 Ca 0.31 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1jjg h ARG 78 Cb -0.10 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1jjg h ARG 78 CO -0.07 0.97 -0.12 1.25 -1.51 0.00 0.00 179.97 180.48 1jjg h LEU 79 N 0.06 0.00 -9.23 3.80 5.85 -1.29 -3.47 115.31 111.03 1jjg h LEU 79 Ca -0.04 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.14 1jjg h LEU 79 Cb 1.61 0.00 0.23 0.00 0.37 0.00 0.00 40.66 42.87 1jjg h LEU 79 CO 0.14 0.12 -1.54 0.52 -0.34 0.00 0.00 178.44 177.34 1jjg n VAL 80 N -3.14 0.00 0.00 1.05 0.31 0.09 -1.83 118.33 114.81 1jjg n VAL 80 Ca 0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1jjg n VAL 80 Cb 0.56 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1jjg n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jjg n GLY 81 N 2.92 1.68 3.08 2.92 0.00 -1.23 -4.98 105.19 109.57 1jjg n GLY 81 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1jjg n GLY 81 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jjg n ARG 82 N 0.00 -0.94 -3.85 1.61 0.63 -0.76 -2.19 116.66 111.17 1jjg n ARG 82 Ca 0.00 -0.27 -0.30 0.00 -0.92 0.00 0.00 57.85 56.36 1jjg n ARG 82 Cb 0.00 -1.32 -0.04 0.00 0.45 0.00 0.00 32.46 31.55 1jjg n ARG 82 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1jjg s VAL 83 N -2.10 5.32 0.29 5.15 1.01 -1.26 -1.66 120.40 127.14 1jjg s VAL 83 Ca 0.40 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1jjg s VAL 83 Cb -0.01 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1jjg s VAL 83 CO 0.56 0.07 0.54 0.27 0.00 0.00 0.00 175.10 176.54 1jjg s ILE 84 N -1.59 0.00 -0.32 2.22 -0.00 -0.64 -4.98 121.20 115.89 1jjg s ILE 84 Ca 0.37 -1.35 -0.10 0.00 -0.00 0.00 0.00 60.65 59.56 1jjg s ILE 84 Cb -0.12 -2.35 -0.01 0.00 -0.00 0.00 0.00 42.46 39.98 1jjg s ILE 84 CO 0.27 0.00 0.16 -1.59 -0.00 0.00 0.00 174.94 173.79 1jjg s LYS 85 N -3.62 3.32 0.42 0.37 -2.85 -1.26 -2.05 119.74 114.07 1jjg s LYS 85 Ca 0.22 -0.73 0.03 0.00 -1.00 0.00 0.00 55.97 54.49 1jjg s LYS 85 Cb -0.02 -3.59 -0.04 0.00 -2.06 0.00 0.00 37.83 32.12 1jjg s LYS 85 CO 0.11 -0.43 0.06 0.95 0.10 0.00 0.00 175.35 176.14 1jjg s THR 86 N 1.62 1.08 0.21 3.79 -4.23 -0.72 -4.90 115.64 112.48 1jjg s THR 86 Ca 0.05 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.60 1jjg s THR 86 Cb -0.17 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 1jjg s THR 86 CO 0.07 0.00 0.29 -0.13 -0.54 0.00 0.00 174.62 174.30 1jjg s ARG 87 N -3.80 3.29 -0.27 3.99 3.00 -0.75 -1.61 118.95 122.80 1jjg s ARG 87 Ca 0.22 -0.78 -0.14 0.00 0.00 0.00 0.00 55.73 55.04 1jjg s ARG 87 Cb 0.05 -2.83 -0.04 0.00 0.00 0.00 0.00 34.95 32.13 1jjg s ARG 87 CO 0.12 0.46 0.33 0.08 0.00 0.00 0.00 175.30 176.28 1jjg s VAL 88 N -1.91 5.21 0.05 3.52 1.01 -0.80 -2.36 120.40 125.12 1jjg s VAL 88 Ca 0.34 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 1jjg s VAL 88 Cb -0.10 -3.66 -0.32 0.00 0.00 0.00 0.00 36.38 32.31 1jjg s VAL 88 CO 0.28 0.18 1.06 0.58 0.00 0.00 0.00 175.10 177.20 1jjg h VAL 89 N 5.38 1.38 0.00 2.92 2.07 -1.70 -3.18 116.25 123.12 1jjg h VAL 89 Ca -0.32 -2.88 0.00 0.00 0.82 0.00 0.00 66.70 64.32 1jjg h VAL 89 Cb 1.17 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1jjg h VAL 89 CO 0.62 0.85 0.00 0.54 0.02 0.00 0.00 177.57 179.60 1jjg n ARG 90 N -3.62 0.00 -3.01 1.57 5.12 -1.24 -4.77 116.66 110.71 1jjg n ARG 90 Ca -0.13 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.49 1jjg n ARG 90 Cb 1.07 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 32.33 1jjg n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jjg s ALA 91 N 0.00 3.41 -0.38 7.54 0.00 -1.26 -1.85 121.76 129.22 1jjg s ALA 91 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 51.77 1jjg s ALA 91 Cb 0.00 -2.62 0.28 0.00 0.00 0.00 0.00 23.12 20.78 1jjg s ALA 91 CO 0.00 0.10 1.23 -0.25 0.00 0.00 0.00 175.76 176.85 1jjg n ASP 92 N -1.06 -1.69 0.00 0.00 8.00 -1.11 -4.84 116.55 115.86 1jjg n ASP 92 Ca 0.02 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.10 1jjg n ASP 92 Cb 0.54 1.23 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 1jjg n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjg n GLY 93 N -0.20 0.21 0.29 0.44 0.00 -1.26 -4.58 105.19 100.10 1jjg n GLY 93 Ca -0.08 -2.22 0.20 0.00 0.00 0.00 0.00 46.02 43.92 1jjg n GLY 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jjg h LEU 94 N 0.00 0.00 -9.08 0.99 6.46 -1.92 -3.40 115.31 108.36 1jjg h LEU 94 Ca 0.00 0.00 -0.65 0.00 -0.12 0.00 0.00 57.88 57.11 1jjg h LEU 94 Cb 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 39.75 1jjg h LEU 94 CO 0.00 0.00 -0.63 -0.31 -0.62 0.00 0.00 178.44 176.88 1jjg s TYR 95 N -3.98 3.13 0.10 1.25 2.02 -1.26 -1.60 117.35 117.01 1jjg s TYR 95 Ca -0.04 -0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1jjg s TYR 95 Cb 0.11 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1jjg s TYR 95 CO 0.35 0.22 -0.08 0.08 -1.57 0.00 0.00 175.55 174.55 1jjg s VAL 96 N -0.17 0.83 0.13 0.71 1.01 -0.46 -2.75 120.40 119.71 1jjg s VAL 96 Ca 0.05 -1.76 -0.00 0.00 0.00 0.00 0.00 61.98 60.26 1jjg s VAL 96 Cb -0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1jjg s VAL 96 CO 0.02 -0.70 0.30 -1.81 0.00 0.00 0.00 175.10 172.92 1jjg s ASP 97 N -2.71 6.38 -0.03 3.32 1.11 -0.77 -0.97 116.67 123.00 1jjg s ASP 97 Ca 0.08 0.33 -0.02 0.00 0.18 0.00 0.00 52.55 53.13 1jjg s ASP 97 Cb 0.01 -1.98 0.02 0.00 1.07 0.00 0.00 42.92 42.04 1jjg s ASP 97 CO -0.02 0.06 0.07 -0.22 1.18 0.00 0.00 175.17 176.25 1jjg s LEU 98 N -2.93 1.24 -0.05 1.23 1.98 0.10 -1.92 118.68 118.33 1jjg s LEU 98 Ca 0.37 0.14 0.02 0.00 -2.89 0.00 0.00 54.13 51.77 1jjg s LEU 98 Cb -0.12 0.15 0.01 0.00 0.66 0.00 0.00 46.19 46.89 1jjg s LEU 98 CO 0.28 -0.09 -0.09 -0.60 -1.89 0.00 0.00 176.35 173.95 1jjg s ARG 99 N 0.71 1.30 0.04 1.98 3.52 -0.99 -2.35 118.95 123.16 1jjg s ARG 99 Ca -0.06 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1jjg s ARG 99 Cb -0.08 -1.14 -0.04 0.00 -1.56 0.00 0.00 34.95 32.13 1jjg s ARG 99 CO -0.03 0.02 0.14 0.50 -0.81 0.00 0.00 175.30 175.12 1jjg s ARG 100 N 0.61 3.18 0.09 5.12 3.00 -1.26 -1.80 118.95 127.89 1jjg s ARG 100 Ca -0.11 -0.51 -0.12 0.00 -1.00 0.00 0.00 55.73 53.99 1jjg s ARG 100 Cb -0.14 -2.91 0.02 0.00 0.00 0.00 0.00 34.95 31.92 1jjg s ARG 100 CO 0.02 0.62 0.29 0.12 0.00 0.00 0.00 175.30 176.34 1jjg s PHE 101 N -1.37 -0.03 -2.45 5.12 2.19 -1.26 -4.44 117.98 115.74 1jjg s PHE 101 Ca 0.29 -0.29 0.28 0.00 0.33 0.00 0.00 56.93 57.55 1jjg s PHE 101 Cb -0.12 0.09 1.14 0.00 -1.31 0.00 0.00 43.02 42.81 1jjg s PHE 101 CO 0.22 -0.59 1.79 0.34 1.83 0.00 0.00 175.22 178.81