#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujs n SER 2 N 0.00 0.64 -4.14 1.61 2.88 -1.26 -5.08 113.62 108.27 1ujs n SER 2 Ca 0.00 0.12 -0.36 0.00 -1.33 0.00 0.00 58.87 57.31 1ujs n SER 2 Cb 0.00 -0.16 0.10 0.00 -0.75 0.00 0.00 64.21 63.40 1ujs n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ujs n SER 3 N -3.31 -2.71 -3.64 -3.46 3.41 -1.26 -5.03 113.62 97.62 1ujs n SER 3 Ca 0.00 -0.06 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 1ujs n SER 3 Cb 0.15 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.30 1ujs n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ujs s GLY 4 N -1.41 -0.28 0.39 5.00 0.00 -1.26 -5.16 107.32 104.59 1ujs s GLY 4 Ca 0.46 2.53 -0.18 0.00 0.00 0.00 0.00 44.72 47.53 1ujs s GLY 4 CO 0.66 1.94 0.86 -0.45 0.00 0.00 0.00 173.10 176.11 1ujs s SER 5 N 0.51 6.82 0.04 1.64 0.15 -1.26 -5.07 113.70 116.53 1ujs s SER 5 Ca -0.00 1.49 -0.27 0.00 0.70 0.00 0.00 55.95 57.87 1ujs s SER 5 Cb -0.05 -2.46 0.09 0.00 -1.71 0.00 0.00 66.02 61.89 1ujs s SER 5 CO -0.06 -0.32 0.76 -0.44 1.20 0.00 0.00 173.24 174.37 1ujs s SER 6 N -2.35 -0.48 0.00 5.45 0.01 -1.26 -5.15 113.70 109.91 1ujs s SER 6 Ca 0.58 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1ujs s SER 6 Cb -0.10 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1ujs s SER 6 CO 0.17 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1ujs n GLY 7 N -0.08 -1.56 3.43 3.44 0.00 -1.26 -4.73 105.19 104.42 1ujs n GLY 7 Ca -0.13 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1ujs n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ujs s ASN 8 N -4.00 5.86 -0.21 1.61 2.47 -1.26 -5.05 114.94 114.36 1ujs s ASN 8 Ca 0.00 -0.84 -0.26 0.00 0.42 0.00 0.00 52.86 52.19 1ujs s ASN 8 Cb 0.00 -2.07 0.07 0.00 -1.45 0.00 0.00 41.25 37.79 1ujs s ASN 8 CO 0.00 -0.36 0.69 0.00 -3.72 0.00 0.00 177.10 173.70 1ujs s ALA 9 N 1.62 -1.71 0.08 1.71 0.00 -1.26 -4.74 121.76 117.46 1ujs s ALA 9 Ca 0.04 1.79 -0.24 0.00 0.00 0.00 0.00 51.96 53.54 1ujs s ALA 9 Cb -0.19 -0.86 -0.13 0.00 0.00 0.00 0.00 23.12 21.94 1ujs s ALA 9 CO 0.08 -0.34 0.56 1.33 0.00 0.00 0.00 175.76 177.39 1ujs n VAL 10 N 2.28 0.81 -1.77 0.00 0.24 -1.26 -4.83 118.33 113.80 1ujs n VAL 10 Ca -0.15 -0.20 -0.36 0.00 -2.04 0.00 0.00 64.34 61.59 1ujs n VAL 10 Cb 0.56 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.97 1ujs n VAL 10 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ujs n ASN 11 N 1.30 7.12 -0.04 -1.34 4.13 -1.26 -4.68 115.26 120.48 1ujs n ASN 11 Ca 0.14 -3.80 -0.13 0.00 1.68 0.00 0.00 54.58 52.47 1ujs n ASN 11 Cb 0.13 -0.92 -0.07 0.00 -1.54 0.00 0.00 39.78 37.38 1ujs n ASN 11 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1ujs h TRP 12 N 2.53 0.29 0.00 3.10 4.06 -1.88 -3.48 115.95 120.57 1ujs h TRP 12 Ca 0.54 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.42 1ujs h TRP 12 Cb 0.52 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.61 1ujs h TRP 12 CO 1.21 0.59 0.00 0.41 -3.56 0.00 0.00 178.44 177.10 1ujs n GLY 13 N 0.00 2.08 0.00 1.49 0.00 -1.26 -4.91 105.19 102.59 1ujs n GLY 13 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1ujs n GLY 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ujs n MET 14 N 0.00 0.00 -2.77 1.61 2.81 -1.26 -4.74 117.12 112.77 1ujs n MET 14 Ca 0.00 0.75 -0.13 0.00 -1.81 0.00 0.00 57.70 56.50 1ujs n MET 14 Cb 0.00 -1.22 -0.01 0.00 -0.71 0.00 0.00 33.22 31.29 1ujs n MET 14 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ujs n ARG 15 N -2.13 1.15 -3.83 0.03 5.12 -1.26 -5.11 116.66 110.63 1ujs n ARG 15 Ca 0.00 -1.72 -0.30 0.00 -1.93 0.00 0.00 57.85 53.90 1ujs n ARG 15 Cb 0.00 0.24 -0.14 0.00 -1.16 0.00 0.00 32.46 31.40 1ujs n ARG 15 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ujs s GLU 16 N -3.07 1.54 -0.56 5.56 2.12 -1.26 -4.71 118.70 118.32 1ujs s GLU 16 Ca 0.12 -2.18 -0.22 0.00 0.36 0.00 0.00 54.97 53.06 1ujs s GLU 16 Cb -0.01 -2.77 0.06 0.00 0.26 0.00 0.00 34.13 31.67 1ujs s GLU 16 CO 0.08 -1.11 0.82 0.71 -0.54 0.00 0.00 175.26 175.22 1ujs s TYR 17 N 0.22 2.87 0.59 5.30 2.02 -1.26 -4.99 117.35 122.10 1ujs s TYR 17 Ca 0.16 -0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 56.29 1ujs s TYR 17 Cb -0.24 -3.94 -0.03 0.00 -0.40 0.00 0.00 41.96 37.35 1ujs s TYR 17 CO -0.02 -1.30 1.29 0.21 -1.57 0.00 0.00 175.55 174.15 1ujs s LYS 18 N 3.43 2.91 -0.27 -0.62 2.20 -1.26 -4.10 119.74 122.03 1ujs s LYS 18 Ca 0.22 2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 57.58 1ujs s LYS 18 Cb -0.17 -2.03 -0.01 0.00 -1.51 0.00 0.00 37.83 34.12 1ujs s LYS 18 CO 0.14 -1.31 1.44 0.42 -0.36 0.00 0.00 175.35 175.68 1ujs s ILE 19 N -1.42 3.94 0.08 5.43 -1.09 -1.26 -4.61 121.20 122.26 1ujs s ILE 19 Ca 0.77 1.05 0.07 0.00 -2.23 0.00 0.00 60.65 60.31 1ujs s ILE 19 Cb -0.36 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 1ujs s ILE 19 CO 0.40 -0.41 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.20 1ujs s TYR 20 N 4.79 1.70 0.27 3.97 2.02 0.10 -5.01 117.35 125.20 1ujs s TYR 20 Ca 0.63 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.63 1ujs s TYR 20 Cb -0.20 -0.97 -0.10 0.00 -0.40 0.00 0.00 41.96 40.30 1ujs s TYR 20 CO 0.26 0.15 1.25 -1.25 -1.57 0.00 0.00 175.55 174.39 1ujs s PRO 21 N -1.61 4.44 0.25 -1.71 0.04 -1.26 -4.16 135.00 130.98 1ujs s PRO 21 Ca 0.06 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.05 1ujs s PRO 21 Cb -0.09 -3.14 0.37 0.00 0.04 0.00 0.00 34.50 31.67 1ujs s PRO 21 CO 0.03 -0.10 1.60 -0.92 0.04 0.00 0.00 177.00 177.65 1ujs h TYR 22 N 4.14 -0.35 0.00 0.56 3.20 -1.94 0.21 116.97 122.79 1ujs h TYR 22 Ca -0.47 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1ujs h TYR 22 Cb 1.22 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.77 1ujs h TYR 22 CO 0.59 -0.33 0.00 -0.85 -1.64 0.00 0.00 178.16 175.92 1ujs n GLU 23 N -5.49 0.00 0.28 1.82 0.28 -1.26 0.26 120.64 116.53 1ujs n GLU 23 Ca 0.12 0.97 0.16 0.00 -0.16 0.00 0.00 57.16 58.26 1ujs n GLU 23 Cb 0.43 -1.47 0.82 0.00 1.43 0.00 0.00 31.44 32.65 1ujs n GLU 23 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 1ujs h LEU 24 N 0.00 0.00 -0.38 -1.84 8.10 -1.68 -1.49 115.31 118.02 1ujs h LEU 24 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ujs h LEU 24 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1ujs h LEU 24 CO 0.00 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.58 1ujs n LEU 25 N -3.35 0.52 -4.74 0.17 4.77 0.14 -2.22 117.00 112.29 1ujs n LEU 25 Ca -0.01 -0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.42 1ujs n LEU 25 Cb 0.23 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 1ujs n LEU 25 CO 0.27 0.12 0.68 -0.76 -1.33 0.00 0.00 177.39 176.38 1ujs s LEU 26 N -0.94 1.81 -0.28 2.23 1.43 0.27 -4.59 118.68 118.61 1ujs s LEU 26 Ca 0.05 1.03 0.18 0.00 -1.03 0.00 0.00 54.13 54.37 1ujs s LEU 26 Cb 0.03 -3.29 0.49 0.00 0.03 0.00 0.00 46.19 43.45 1ujs s LEU 26 CO 0.04 -2.81 1.11 0.55 0.23 0.00 0.00 176.35 175.47 1ujs n VAL 27 N -3.95 1.58 -3.49 -1.59 3.14 0.72 -4.68 118.33 110.07 1ujs n VAL 27 Ca 0.06 -3.31 -0.42 0.00 -2.96 0.00 0.00 64.34 57.71 1ujs n VAL 27 Cb 0.59 0.58 -0.10 0.00 -1.06 0.00 0.00 33.84 33.84 1ujs n VAL 27 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1ujs s THR 28 N -3.99 5.26 0.02 1.55 -1.32 -1.26 -4.93 115.64 110.97 1ujs s THR 28 Ca 0.33 -0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 60.25 1ujs s THR 28 Cb 0.36 -3.84 -0.03 0.00 -1.51 0.00 0.00 72.50 67.47 1ujs s THR 28 CO -0.02 -0.19 1.12 0.74 -2.21 0.00 0.00 174.62 174.05 1ujs h THR 29 N 5.58 0.00 -0.09 5.08 2.02 -1.97 -2.32 112.91 121.21 1ujs h THR 29 Ca -0.29 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1ujs h THR 29 Cb 1.13 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1ujs h THR 29 CO 0.69 0.00 0.02 -2.11 0.37 0.00 0.00 175.52 174.50 1ujs n ARG 30 N -3.01 1.26 -0.15 6.66 -4.01 -1.26 -4.81 116.66 111.34 1ujs n ARG 30 Ca -0.02 -0.39 0.00 0.00 -1.04 0.00 0.00 57.85 56.40 1ujs n ARG 30 Cb 0.09 -1.23 0.00 0.00 -3.04 0.00 0.00 32.46 28.29 1ujs n ARG 30 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1ujs n GLY 31 N 1.44 6.04 2.65 2.89 0.00 -0.87 -5.06 105.19 112.28 1ujs n GLY 31 Ca 0.10 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1ujs n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujs n ARG 32 N 0.00 5.38 -3.62 1.61 3.00 -1.26 -4.96 116.66 116.81 1ujs n ARG 32 Ca 0.00 -4.61 -0.39 0.00 -0.01 0.00 0.00 57.85 52.84 1ujs n ARG 32 Cb 0.00 -2.48 -0.11 0.00 0.00 0.00 0.00 32.46 29.87 1ujs n ARG 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ujs s ASN 33 N -1.27 5.71 -0.32 0.55 4.22 -1.26 -4.67 114.94 117.90 1ujs s ASN 33 Ca 0.39 -0.49 0.07 0.00 -2.14 0.00 0.00 52.86 50.70 1ujs s ASN 33 Cb 0.18 -2.04 0.46 0.00 1.28 0.00 0.00 41.25 41.13 1ujs s ASN 33 CO -0.12 -0.20 1.34 0.54 -2.04 0.00 0.00 177.10 176.61 1ujs n ARG 34 N 5.02 2.84 -1.37 3.55 3.00 -1.24 -5.00 116.66 123.45 1ujs n ARG 34 Ca -0.13 -3.75 -0.53 0.00 -0.01 0.00 0.00 57.85 53.42 1ujs n ARG 34 Cb 0.49 -2.08 -0.07 0.00 0.00 0.00 0.00 32.46 30.80 1ujs n ARG 34 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ujs n LEU 35 N -0.88 -0.15 0.00 0.55 4.77 -0.94 -4.93 117.00 115.42 1ujs n LEU 35 Ca 0.40 1.07 -0.05 0.00 -0.03 0.00 0.00 56.01 57.39 1ujs n LEU 35 Cb 0.90 -0.85 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1ujs n LEU 35 CO 0.33 -1.88 0.11 -0.81 -1.33 0.00 0.00 177.39 173.81 1ujs n PRO 36 N 1.33 -1.42 -0.41 3.23 -0.04 -1.26 -4.97 135.00 131.47 1ujs n PRO 36 Ca 0.18 -0.32 0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1ujs n PRO 36 Cb 0.09 -0.30 0.28 0.00 -0.04 0.00 0.00 33.50 33.54 1ujs n PRO 36 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ujs n LYS 37 N -2.12 3.12 -0.16 0.54 2.85 -1.26 -4.23 118.16 116.90 1ujs n LYS 37 Ca 0.03 -2.59 0.06 0.00 -1.05 0.00 0.00 58.31 54.75 1ujs n LYS 37 Cb 0.11 -1.62 0.08 0.00 -0.65 0.00 0.00 35.03 32.95 1ujs n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ujs n ASP 38 N 1.00 1.64 -4.88 -5.58 2.03 -1.26 -5.06 116.55 104.44 1ujs n ASP 38 Ca 0.21 -2.59 -0.23 0.00 0.52 0.00 0.00 54.79 52.70 1ujs n ASP 38 Cb 0.68 -0.30 -0.04 0.00 -0.72 0.00 0.00 41.12 40.74 1ujs n ASP 38 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ujs s VAL 39 N -1.82 4.84 -0.37 5.18 -7.23 -1.26 -4.42 120.40 115.31 1ujs s VAL 39 Ca 0.19 -1.11 -0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1ujs s VAL 39 Cb 0.17 -3.58 0.06 0.00 0.56 0.00 0.00 36.38 33.59 1ujs s VAL 39 CO 0.02 -0.26 0.16 -1.81 -0.31 0.00 0.00 175.10 172.90 1ujs s ASP 40 N -3.66 5.39 0.41 4.85 1.11 -1.26 -4.94 116.67 118.57 1ujs s ASP 40 Ca 0.33 -1.37 0.16 0.00 0.18 0.00 0.00 52.55 51.85 1ujs s ASP 40 Cb -0.09 -1.90 0.87 0.00 1.07 0.00 0.00 42.92 42.88 1ujs s ASP 40 CO 0.26 -0.42 1.41 0.03 1.18 0.00 0.00 175.17 177.64 1ujs h ARG 41 N 8.25 0.00 0.00 8.23 -0.00 -1.98 1.62 114.38 130.50 1ujs h ARG 41 Ca -0.22 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.25 1ujs h ARG 41 Cb 1.08 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.04 1ujs h ARG 41 CO 0.66 0.00 -1.90 0.25 0.00 0.00 0.00 179.97 178.98 1ujs n THR 42 N -2.24 0.06 -1.90 2.04 -2.24 -1.26 -3.18 114.28 105.56 1ujs n THR 42 Ca -0.01 -0.46 0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1ujs n THR 42 Cb 0.36 0.03 0.13 0.00 -2.10 0.00 0.00 70.33 68.76 1ujs n THR 42 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ujs n ARG 43 N -2.19 0.97 -0.30 -0.78 5.12 0.28 -4.83 116.66 114.93 1ujs n ARG 43 Ca -0.05 -2.74 0.05 0.00 -1.93 0.00 0.00 57.85 53.19 1ujs n ARG 43 Cb 0.53 -1.01 0.20 0.00 -1.16 0.00 0.00 32.46 31.02 1ujs n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1ujs h LEU 44 N 0.91 0.63 -2.00 0.55 3.38 0.17 0.12 115.31 119.08 1ujs h LEU 44 Ca -0.08 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ujs h LEU 44 Cb 1.33 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1ujs h LEU 44 CO 0.03 0.32 -0.02 1.05 0.09 0.00 0.00 178.44 179.92 1ujs h GLU 45 N 0.73 0.00 0.00 1.13 9.09 -1.85 0.37 114.58 124.06 1ujs h GLU 45 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 1ujs h GLU 45 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1ujs h GLU 45 CO -0.30 0.02 0.00 0.54 0.05 0.00 0.00 179.01 179.32 1ujs n ARG 46 N -4.48 0.14 0.00 1.06 1.74 0.40 -1.83 116.66 113.70 1ujs n ARG 46 Ca -0.03 0.37 0.13 0.00 -0.77 0.00 0.00 57.85 57.55 1ujs n ARG 46 Cb 0.10 -1.77 0.46 0.00 -1.02 0.00 0.00 32.46 30.24 1ujs n ARG 46 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ujs n HIS 47 N -2.03 0.00 -3.07 -1.55 8.25 0.12 -4.83 115.22 112.11 1ujs n HIS 47 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 1ujs n HIS 47 Cb 0.21 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 1ujs n HIS 47 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ujs s LEU 48 N -2.80 4.37 0.31 2.41 1.43 -0.76 0.02 118.68 123.66 1ujs s LEU 48 Ca 0.18 1.25 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 1ujs s LEU 48 Cb 0.19 -3.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 1ujs s LEU 48 CO 0.58 -0.03 1.35 -0.94 0.23 0.00 0.00 176.35 177.53 1ujs s SER 49 N 0.35 6.73 0.59 2.29 1.04 -1.26 -4.34 113.70 119.09 1ujs s SER 49 Ca 0.36 2.70 0.27 0.00 0.48 0.00 0.00 55.95 59.75 1ujs s SER 49 Cb -0.19 -2.64 0.91 0.00 0.10 0.00 0.00 66.02 64.20 1ujs s SER 49 CO 0.19 -0.59 1.27 0.00 0.98 0.00 0.00 173.24 175.09 1ujs n GLN 50 N 1.17 0.01 -0.03 4.02 6.02 -1.26 0.16 117.38 127.47 1ujs n GLN 50 Ca 0.02 1.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.86 1ujs n GLN 50 Cb 0.41 -2.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.11 1ujs n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ujs h GLU 51 N 0.00 0.22 0.00 -1.09 4.39 -1.98 -3.26 114.58 112.86 1ujs h GLU 51 Ca 0.49 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.94 1ujs h GLU 51 Cb 2.89 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 31.55 1ujs h GLU 51 CO -0.01 0.79 -0.59 0.93 -1.16 0.00 0.00 179.01 178.98 1ujs h GLU 52 N -0.30 0.00 -1.42 2.33 5.08 0.12 -3.23 114.58 117.15 1ujs h GLU 52 Ca -0.01 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.80 1ujs h GLU 52 Cb 0.81 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 1ujs h GLU 52 CO 0.04 0.66 0.98 0.34 -1.00 0.00 0.00 179.01 180.03 1ujs n PHE 53 N -4.57 0.27 0.09 4.33 -0.00 0.11 0.25 117.46 117.95 1ujs n PHE 53 Ca -0.17 0.28 -0.23 0.00 -0.00 0.00 0.00 57.45 57.33 1ujs n PHE 53 Cb 0.45 -0.69 -0.15 0.00 -0.00 0.00 0.00 39.48 39.08 1ujs n PHE 53 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ujs h TYR 54 N 0.00 0.79 0.00 -5.13 5.03 -1.59 -2.28 116.97 113.78 1ujs h TYR 54 Ca 0.76 -0.57 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1ujs h TYR 54 Cb 2.80 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.04 1ujs h TYR 54 CO -0.00 1.60 0.00 1.96 -1.32 0.00 0.00 178.16 180.40 1ujs h GLN 55 N 0.04 0.00 0.00 1.82 4.20 0.33 1.94 115.11 123.43 1ujs h GLN 55 Ca -0.29 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.29 1ujs h GLN 55 Cb 2.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.82 1ujs h GLN 55 CO 0.20 0.00 -1.23 0.28 -0.67 0.00 0.00 178.83 177.41 1ujs n VAL 56 N -2.62 1.49 0.08 -0.54 0.31 -0.05 -4.63 118.33 112.36 1ujs n VAL 56 Ca -0.00 0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.21 1ujs n VAL 56 Cb 0.15 -2.23 -0.14 0.00 -0.91 0.00 0.00 33.84 30.72 1ujs n VAL 56 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1ujs h PHE 57 N -1.00 0.40 0.00 3.52 -1.00 -1.40 -3.49 116.94 113.97 1ujs h PHE 57 Ca -0.19 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1ujs h PHE 57 Cb 1.04 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.59 1ujs h PHE 57 CO -0.25 1.28 0.00 0.41 -1.61 0.00 0.00 178.31 178.14 1ujs n GLY 58 N 1.57 1.38 3.83 -1.45 0.00 0.66 -5.04 105.19 106.14 1ujs n GLY 58 Ca -0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 1ujs n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ujs s MET 59 N -0.65 1.53 -0.05 1.61 0.23 -1.18 -4.99 119.30 115.79 1ujs s MET 59 Ca 0.00 -0.95 -0.11 0.00 -1.03 0.00 0.00 55.69 53.60 1ujs s MET 59 Cb 0.00 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 1ujs s MET 59 CO 0.00 -0.71 0.29 0.95 -2.03 0.00 0.00 175.02 173.52 1ujs s THR 60 N -2.56 5.24 0.35 3.16 -4.23 -1.26 -3.30 115.64 113.04 1ujs s THR 60 Ca 0.17 0.57 0.21 0.00 -1.18 0.00 0.00 61.69 61.47 1ujs s THR 60 Cb -0.03 -3.58 0.35 0.00 1.34 0.00 0.00 72.50 70.58 1ujs s THR 60 CO 0.06 0.59 1.44 0.00 -0.54 0.00 0.00 174.62 176.18 1ujs n ILE 61 N 1.93 -0.35 -0.25 2.99 0.13 -1.26 0.18 119.36 122.72 1ujs n ILE 61 Ca -0.16 1.82 -0.01 0.00 -1.10 0.00 0.00 62.75 63.29 1ujs n ILE 61 Cb 0.53 -2.96 0.10 0.00 -0.84 0.00 0.00 39.64 36.47 1ujs n ILE 61 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 1ujs h SER 62 N 0.00 0.66 0.53 9.51 0.87 -2.00 -0.58 113.55 122.54 1ujs h SER 62 Ca 0.78 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 61.11 1ujs h SER 62 Cb 2.17 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 1ujs h SER 62 CO -0.65 0.43 -1.10 -0.33 -0.53 0.00 0.00 176.83 174.65 1ujs h GLU 63 N 0.79 0.31 -0.03 2.24 5.08 0.15 -3.27 114.58 119.85 1ujs h GLU 63 Ca 0.31 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1ujs h GLU 63 Cb 0.14 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ujs h GLU 63 CO -0.16 1.15 -0.01 0.35 -1.00 0.00 0.00 179.01 179.34 1ujs h PHE 64 N 0.13 -0.03 0.00 4.33 3.57 -0.49 -1.22 116.94 123.23 1ujs h PHE 64 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1ujs h PHE 64 Cb 1.79 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.55 1ujs h PHE 64 CO 0.06 -0.02 0.02 0.22 -2.23 0.00 0.00 178.31 176.35 1ujs h ASP 65 N -0.01 0.00 -0.10 0.41 1.82 -1.22 0.25 116.42 117.57 1ujs h ASP 65 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1ujs h ASP 65 Cb 0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1ujs h ASP 65 CO -0.03 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.14 1ujs n ARG 66 N -3.00 1.61 -2.16 0.28 1.74 -0.47 -4.90 116.66 109.76 1ujs n ARG 66 Ca -0.03 -0.91 -0.27 0.00 -0.77 0.00 0.00 57.85 55.86 1ujs n ARG 66 Cb 0.08 -1.42 0.15 0.00 -1.02 0.00 0.00 32.46 30.25 1ujs n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ujs s LEU 67 N -1.73 2.80 0.20 0.55 1.43 0.88 -5.05 118.68 117.77 1ujs s LEU 67 Ca 0.34 0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 1ujs s LEU 67 Cb 0.18 -2.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.05 1ujs s LEU 67 CO 0.29 -2.36 0.86 0.00 0.23 0.00 0.00 176.35 175.36 1ujs s ALA 68 N -3.60 3.39 0.26 4.21 0.00 -1.26 -4.82 121.76 119.94 1ujs s ALA 68 Ca 0.70 0.49 -0.07 0.00 0.00 0.00 0.00 51.96 53.08 1ujs s ALA 68 Cb -0.05 -3.08 0.44 0.00 0.00 0.00 0.00 23.12 20.42 1ujs s ALA 68 CO 0.50 0.24 1.44 -0.11 0.00 0.00 0.00 175.76 177.83 1ujs n LEU 69 N 1.58 -0.32 -0.37 0.00 -0.00 -1.26 0.18 117.00 116.81 1ujs n LEU 69 Ca -0.04 1.58 -0.01 0.00 -0.00 0.00 0.00 56.01 57.54 1ujs n LEU 69 Cb 0.48 -0.48 0.12 0.00 -0.00 0.00 0.00 43.42 43.54 1ujs n LEU 69 CO 0.48 -1.52 1.29 4.11 -0.00 0.00 0.00 177.39 181.75 1ujs h TRP 70 N 0.00 1.25 -0.22 1.96 5.08 -1.97 0.03 115.95 122.08 1ujs h TRP 70 Ca 0.45 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 60.38 1ujs h TRP 70 Cb 0.69 -0.42 -0.01 0.00 -3.00 0.00 0.00 29.16 26.43 1ujs h TRP 70 CO -0.70 0.77 -0.14 -0.22 -1.28 0.00 0.00 178.44 176.87 1ujs h LYS 71 N 1.34 0.49 0.00 0.12 1.63 0.15 0.92 116.57 121.21 1ujs h LYS 71 Ca 0.38 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 1ujs h LYS 71 Cb -0.12 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1ujs h LYS 71 CO -0.09 0.78 -0.19 0.00 -3.45 0.00 0.00 179.45 176.50 1ujs h ARG 72 N 0.18 0.00 0.00 1.90 3.08 -0.10 0.13 114.38 119.57 1ujs h ARG 72 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ujs h ARG 72 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1ujs h ARG 72 CO 0.04 0.19 -1.45 0.09 -1.07 0.00 0.00 179.97 177.77 1ujs n ASN 73 N -4.05 0.43 0.04 7.04 3.02 -0.03 -3.93 115.26 117.78 1ujs n ASN 73 Ca -0.02 -0.12 -0.22 0.00 -0.03 0.00 0.00 54.58 54.19 1ujs n ASN 73 Cb 0.26 1.29 -0.14 0.00 -0.61 0.00 0.00 39.78 40.58 1ujs n ASN 73 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ujs h GLU 74 N 0.00 0.32 0.49 3.52 4.81 0.14 -3.28 114.58 120.58 1ujs h GLU 74 Ca 0.00 -0.54 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 1ujs h GLU 74 Cb 0.87 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1ujs h GLU 74 CO 0.00 1.26 -0.24 -0.07 -0.73 0.00 0.00 179.01 179.23 1ujs h LEU 75 N -0.12 -0.56 -1.09 1.64 3.38 -0.96 -2.76 115.31 114.84 1ujs h LEU 75 Ca -0.32 -0.02 0.23 0.00 0.09 0.00 0.00 57.88 57.86 1ujs h LEU 75 Cb 1.91 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.70 1ujs h LEU 75 CO 0.12 -0.34 0.61 0.11 0.09 0.00 0.00 178.44 179.04 1ujs h LYS 76 N -0.75 0.59 -0.37 1.13 1.57 -1.75 0.46 116.57 117.45 1ujs h LYS 76 Ca -0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1ujs h LYS 76 Cb 0.55 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1ujs h LYS 76 CO 0.11 0.39 0.16 0.87 -0.57 0.00 0.00 179.45 180.41 1ujs h LYS 77 N 0.61 0.51 0.00 3.15 1.57 -1.56 0.31 116.57 121.17 1ujs h LYS 77 Ca 0.61 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.31 1ujs h LYS 77 Cb 1.15 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1ujs h LYS 77 CO -0.40 0.42 -0.42 1.96 -0.57 0.00 0.00 179.45 180.43 1ujs h GLN 78 N 0.51 0.00 -0.65 3.15 4.20 0.08 -3.23 115.11 119.18 1ujs h GLN 78 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1ujs h GLN 78 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1ujs h GLN 78 CO -0.01 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 1ujs n ALA 79 N -2.15 2.39 -2.66 3.87 0.00 -0.05 -4.93 120.51 116.98 1ujs n ALA 79 Ca 0.02 -1.19 -0.20 0.00 0.00 0.00 0.00 53.44 52.07 1ujs n ALA 79 Cb 0.57 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1ujs n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ujs n ARG 80 N 1.54 -2.81 -0.11 0.00 1.74 -0.14 -4.74 116.66 112.13 1ujs n ARG 80 Ca 0.23 0.86 0.05 0.00 -0.77 0.00 0.00 57.85 58.22 1ujs n ARG 80 Cb 0.59 -5.57 0.11 0.00 -1.02 0.00 0.00 32.46 26.57 1ujs n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ujs n LEU 81 N -3.31 2.53 -4.51 0.55 4.77 0.92 0.26 117.00 118.21 1ujs n LEU 81 Ca -0.17 -2.47 -0.31 0.00 -0.03 0.00 0.00 56.01 53.02 1ujs n LEU 81 Cb 0.64 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 1ujs n LEU 81 CO 0.33 0.63 -0.45 0.12 -1.33 0.00 0.00 177.39 176.69 1ujs s PHE 82 N -1.83 2.67 0.00 -1.77 2.19 -1.09 -4.36 117.98 113.79 1ujs s PHE 82 Ca 0.20 -0.19 0.00 0.00 0.33 0.00 0.00 56.93 57.27 1ujs s PHE 82 Cb 0.15 -1.49 0.00 0.00 -1.31 0.00 0.00 43.02 40.38 1ujs s PHE 82 CO 0.05 0.32 0.00 0.45 1.83 0.00 0.00 175.22 177.87 1ujs n SER 83 N 1.36 1.25 0.00 6.13 2.88 -1.19 -4.88 113.62 119.18 1ujs n SER 83 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1ujs n SER 83 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1ujs n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujs n GLY 84 N 2.18 1.60 3.57 0.46 0.00 -1.26 -4.96 105.19 106.78 1ujs n GLY 84 Ca 0.00 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1ujs n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujs s PRO 85 N -4.03 2.93 -0.01 1.61 0.04 -1.26 -4.96 135.00 129.32 1ujs s PRO 85 Ca 0.00 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1ujs s PRO 85 Cb 0.00 -4.30 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 1ujs s PRO 85 CO 0.00 -2.36 1.18 -1.12 0.04 0.00 0.00 177.00 174.74 1ujs s SER 86 N 7.10 7.09 -0.29 6.66 0.01 -1.26 -5.01 113.70 128.00 1ujs s SER 86 Ca 0.70 1.87 0.01 0.00 1.31 0.00 0.00 55.95 59.84 1ujs s SER 86 Cb -0.16 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.59 1ujs s SER 86 CO 0.26 -0.51 0.03 -0.44 0.41 0.00 0.00 173.24 172.98 1ujs s SER 87 N 1.29 4.13 0.00 2.44 0.01 -1.26 -5.27 113.70 115.04 1ujs s SER 87 Ca 0.56 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1ujs s SER 87 Cb -0.26 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 64.80 1ujs s SER 87 CO 0.25 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.17