#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yr3 s SER 2 N 0.00 5.14 -0.80 1.61 1.04 -1.26 -4.85 113.70 114.58 2yr3 s SER 2 Ca 0.00 0.50 -0.36 0.00 0.48 0.00 0.00 55.95 56.57 2yr3 s SER 2 Cb 0.00 -2.52 -0.21 0.00 0.10 0.00 0.00 66.02 63.39 2yr3 s SER 2 CO 0.00 -2.45 2.48 -0.24 0.98 0.00 0.00 173.24 174.01 2yr3 n SER 3 N 13.24 0.47 0.00 7.02 2.88 -1.26 -4.64 113.62 131.34 2yr3 n SER 3 Ca 0.23 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2yr3 n SER 3 Cb 0.52 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2yr3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yr3 n GLY 4 N 6.89 2.92 4.49 0.46 0.00 -1.26 -4.99 105.19 113.70 2yr3 n GLY 4 Ca 0.62 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 46.27 2yr3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yr3 n SER 5 N 0.00 -1.51 -4.37 1.61 3.41 -1.26 -4.91 113.62 106.60 2yr3 n SER 5 Ca 0.00 -1.24 -0.27 0.00 -0.26 0.00 0.00 58.87 57.10 2yr3 n SER 5 Cb 0.00 -1.67 -0.12 0.00 -0.26 0.00 0.00 64.21 62.15 2yr3 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yr3 s SER 6 N -3.42 3.11 -0.01 4.04 1.04 -1.26 -5.09 113.70 112.11 2yr3 s SER 6 Ca 0.71 -0.78 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 2yr3 s SER 6 Cb -0.41 -0.20 -0.07 0.00 0.10 0.00 0.00 66.02 65.44 2yr3 s SER 6 CO 1.02 0.12 1.73 -0.83 0.98 0.00 0.00 173.24 176.25 2yr3 s GLY 7 N -2.24 1.52 0.40 7.32 0.00 -1.26 -4.99 107.32 108.07 2yr3 s GLY 7 Ca 0.14 1.08 -0.01 0.00 0.00 0.00 0.00 44.72 45.93 2yr3 s GLY 7 CO 0.07 3.11 0.64 -3.16 0.00 0.00 0.00 173.10 173.76 2yr3 s MET 8 N 3.86 3.42 1.17 2.90 0.00 -1.26 -5.07 119.30 124.32 2yr3 s MET 8 Ca 0.77 -0.21 -0.17 0.00 0.00 0.00 0.00 55.69 56.08 2yr3 s MET 8 Cb -0.37 -2.56 0.19 0.00 0.00 0.00 0.00 34.83 32.10 2yr3 s MET 8 CO 0.33 -0.03 0.38 0.39 0.00 0.00 0.00 175.02 176.09 2yr3 n GLU 9 N -1.98 -2.31 -4.02 3.16 1.02 -1.26 -5.04 120.64 110.21 2yr3 n GLU 9 Ca -0.02 -0.66 -0.10 0.00 -0.02 0.00 0.00 57.16 56.36 2yr3 n GLU 9 Cb 0.56 -1.81 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 2yr3 n GLU 9 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2yr3 s VAL 10 N -2.24 0.00 0.28 2.62 -7.23 -0.34 -4.98 120.40 108.52 2yr3 s VAL 10 Ca 0.58 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2yr3 s VAL 10 Cb -0.15 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2yr3 s VAL 10 CO 0.61 0.00 0.48 0.00 -0.31 0.00 0.00 175.10 175.88 2yr3 s ALA 11 N -3.92 3.76 0.26 1.32 0.00 -1.26 -3.07 121.76 118.86 2yr3 s ALA 11 Ca 0.24 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 2yr3 s ALA 11 Cb -0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.99 2yr3 s ALA 11 CO 0.10 0.17 1.26 -1.25 0.00 0.00 0.00 175.76 176.04 2yr3 s PRO 12 N -3.91 4.44 -0.16 0.00 0.04 -1.26 -4.31 135.00 129.83 2yr3 s PRO 12 Ca 0.39 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 2yr3 s PRO 12 Cb -0.10 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.33 2yr3 s PRO 12 CO 0.32 -0.13 0.44 -1.54 0.04 0.00 0.00 177.00 176.14 2yr3 s SER 13 N -0.20 -0.45 -0.51 6.66 1.04 -0.22 -4.64 113.70 115.38 2yr3 s SER 13 Ca 0.51 0.87 -0.18 0.00 0.48 0.00 0.00 55.95 57.62 2yr3 s SER 13 Cb -0.36 0.88 0.07 0.00 0.10 0.00 0.00 66.02 66.70 2yr3 s SER 13 CO 0.44 -0.17 0.59 -0.36 0.98 0.00 0.00 173.24 174.72 2yr3 s PHE 14 N 0.18 3.08 0.14 5.02 0.08 -1.26 -0.44 117.98 124.77 2yr3 s PHE 14 Ca -0.00 -0.66 -0.11 0.00 0.12 0.00 0.00 56.93 56.27 2yr3 s PHE 14 Cb -0.03 -3.53 -0.05 0.00 -0.57 0.00 0.00 43.02 38.85 2yr3 s PHE 14 CO 0.01 -1.02 1.46 0.66 -0.10 0.00 0.00 175.22 176.23 2yr3 h SER 15 N 8.97 0.99 -2.60 1.36 4.64 -1.80 -3.38 113.55 121.73 2yr3 h SER 15 Ca -0.28 -0.47 -0.60 0.00 -0.47 0.00 0.00 61.79 59.97 2yr3 h SER 15 Cb 1.10 -0.28 -0.39 0.00 -0.31 0.00 0.00 62.40 62.51 2yr3 h SER 15 CO 0.97 1.27 -0.85 -0.44 -0.87 0.00 0.00 176.83 176.91 2yr3 s SER 16 N -6.87 2.47 1.08 4.97 0.01 -1.17 -5.01 113.70 109.18 2yr3 s SER 16 Ca -0.11 -3.26 -0.20 0.00 1.31 0.00 0.00 55.95 53.68 2yr3 s SER 16 Cb 0.11 -0.79 0.04 0.00 0.21 0.00 0.00 66.02 65.59 2yr3 s SER 16 CO 0.88 -0.15 -0.36 1.33 0.41 0.00 0.00 173.24 175.35 2yr3 n VAL 17 N 2.64 0.00 -1.73 3.43 0.24 -1.26 -2.93 118.33 118.72 2yr3 n VAL 17 Ca 0.26 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.34 62.05 2yr3 n VAL 17 Cb 0.44 -0.44 0.05 0.00 -1.47 0.00 0.00 33.84 32.42 2yr3 n VAL 17 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2yr3 s LEU 18 N 1.17 2.92 0.20 1.34 1.43 -1.26 -4.84 118.68 119.65 2yr3 s LEU 18 Ca 0.49 1.32 0.04 0.00 -1.03 0.00 0.00 54.13 54.95 2yr3 s LEU 18 Cb -0.05 -4.13 -0.05 0.00 0.03 0.00 0.00 46.19 41.98 2yr3 s LEU 18 CO 0.63 -1.45 -0.03 -0.54 0.23 0.00 0.00 176.35 175.19 2yr3 s LYS 19 N -5.21 1.24 0.29 1.70 3.01 -1.26 -4.94 119.74 114.57 2yr3 s LYS 19 Ca 0.58 -1.60 -0.29 0.00 -1.01 0.00 0.00 55.97 53.65 2yr3 s LYS 19 Cb -0.12 -0.57 -0.10 0.00 -1.01 0.00 0.00 37.83 36.03 2yr3 s LYS 19 CO 0.53 -0.06 1.14 -0.51 0.51 0.00 0.00 175.35 176.96 2yr3 s ASP 20 N -3.26 7.17 0.08 2.83 1.11 -1.26 -4.67 116.67 118.67 2yr3 s ASP 20 Ca 0.25 2.35 -0.15 0.00 0.18 0.00 0.00 52.55 55.18 2yr3 s ASP 20 Cb 0.05 -2.63 0.03 0.00 1.07 0.00 0.00 42.92 41.44 2yr3 s ASP 20 CO 0.06 -0.22 0.35 0.00 1.18 0.00 0.00 175.17 176.54 2yr3 s ALA 22 N -3.15 1.99 0.11 0.00 0.00 -1.26 -2.45 121.76 117.00 2yr3 s ALA 22 Ca -0.01 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 2yr3 s ALA 22 Cb 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2yr3 s ALA 22 CO -0.07 0.36 0.08 0.54 0.00 0.00 0.00 175.76 176.66 2yr3 s VAL 23 N -1.43 0.13 0.03 0.00 0.11 -0.82 -5.00 120.40 113.42 2yr3 s VAL 23 Ca 0.11 -1.75 -0.07 0.00 -2.93 0.00 0.00 61.98 57.34 2yr3 s VAL 23 Cb -0.09 -1.81 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 2yr3 s VAL 23 CO 0.06 -0.60 0.30 -0.63 -3.33 0.00 0.00 175.10 170.89 2yr3 s ILE 24 N -3.99 5.25 -0.14 7.04 1.09 -1.26 0.24 121.20 129.44 2yr3 s ILE 24 Ca 0.17 0.22 -0.31 0.00 -1.10 0.00 0.00 60.65 59.63 2yr3 s ILE 24 Cb 0.07 -3.59 -0.09 0.00 -1.06 0.00 0.00 42.46 37.79 2yr3 s ILE 24 CO -0.03 0.34 2.07 1.21 -0.10 0.00 0.00 174.94 178.42 2yr3 n GLU 25 N 1.03 2.12 0.00 2.79 2.13 -1.26 -0.88 120.64 126.57 2yr3 n GLU 25 Ca -0.10 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2yr3 n GLU 25 Cb 0.53 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.33 2yr3 n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yr3 n GLY 26 N 5.21 0.68 4.00 8.31 0.00 -1.24 -5.04 105.19 117.12 2yr3 n GLY 26 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 2yr3 n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yr3 s GLN 27 N -0.56 1.85 0.05 1.61 -1.52 -0.06 -4.70 119.66 116.33 2yr3 s GLN 27 Ca 0.00 -1.18 0.09 0.00 -1.95 0.00 0.00 55.36 52.33 2yr3 s GLN 27 Cb 0.00 -2.40 -0.03 0.00 -0.22 0.00 0.00 33.01 30.36 2yr3 s GLN 27 CO 0.00 -1.29 -0.26 0.16 -0.25 0.00 0.00 175.29 173.65 2yr3 s ASP 28 N -4.70 3.17 -0.12 5.90 -4.77 -1.26 -1.97 116.67 112.91 2yr3 s ASP 28 Ca 0.65 -0.61 -0.07 0.00 -3.30 0.00 0.00 52.55 49.22 2yr3 s ASP 28 Cb -0.06 -0.28 0.05 0.00 -1.09 0.00 0.00 42.92 41.54 2yr3 s ASP 28 CO 0.43 0.25 0.30 0.72 0.70 0.00 0.00 175.17 177.57 2yr3 s PHE 29 N -0.83 -0.40 -0.33 2.11 -0.12 -1.03 -5.03 117.98 112.34 2yr3 s PHE 29 Ca 0.12 0.91 0.03 0.00 -0.05 0.00 0.00 56.93 57.94 2yr3 s PHE 29 Cb -0.10 0.12 0.10 0.00 -0.63 0.00 0.00 43.02 42.51 2yr3 s PHE 29 CO 0.02 -0.24 0.06 0.54 -0.05 0.00 0.00 175.22 175.55 2yr3 s VAL 30 N 1.05 1.93 -0.06 -2.49 0.11 -1.26 -1.81 120.40 117.87 2yr3 s VAL 30 Ca -0.07 -2.09 -0.36 0.00 -2.93 0.00 0.00 61.98 56.53 2yr3 s VAL 30 Cb -0.08 -2.42 -0.14 0.00 -1.53 0.00 0.00 36.38 32.21 2yr3 s VAL 30 CO -0.08 -0.60 1.69 0.18 -3.33 0.00 0.00 175.10 172.97 2yr3 n LEU 31 N 4.41 2.81 -4.44 2.54 4.77 -1.10 -4.67 117.00 121.32 2yr3 n LEU 31 Ca 0.02 1.05 -0.34 0.00 -0.03 0.00 0.00 56.01 56.71 2yr3 n LEU 31 Cb 0.42 -1.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.09 2yr3 n LEU 31 CO 0.19 -0.36 -0.37 -1.58 -1.33 0.00 0.00 177.39 173.94 2yr3 s GLN 32 N 2.68 3.56 0.23 3.23 0.74 -1.26 -1.84 119.66 127.01 2yr3 s GLN 32 Ca 0.90 -0.57 -0.07 0.00 0.05 0.00 0.00 55.36 55.67 2yr3 s GLN 32 Cb -0.83 -2.89 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 2yr3 s GLN 32 CO 0.52 0.14 0.31 0.00 -0.55 0.00 0.00 175.29 175.70 2yr3 s SER 34 N -3.10 1.82 -0.14 0.00 0.01 -1.15 -1.40 113.70 109.74 2yr3 s SER 34 Ca 0.31 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.23 2yr3 s SER 34 Cb 0.03 -0.78 0.06 0.00 0.21 0.00 0.00 66.02 65.54 2yr3 s SER 34 CO 0.11 0.05 0.14 0.54 0.41 0.00 0.00 173.24 174.50 2yr3 s VAL 35 N 0.55 -0.21 0.44 3.43 0.11 -1.09 -2.08 120.40 121.54 2yr3 s VAL 35 Ca -0.13 0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2yr3 s VAL 35 Cb -0.15 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2yr3 s VAL 35 CO 0.04 -0.08 0.66 -0.13 -3.33 0.00 0.00 175.10 172.26 2yr3 s ARG 36 N 2.24 3.18 0.00 1.54 0.52 0.41 -4.76 118.95 122.09 2yr3 s ARG 36 Ca 0.04 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 2yr3 s ARG 36 Cb -0.14 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.77 2yr3 s ARG 36 CO -0.08 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.45 2yr3 n GLY 37 N -2.05 2.71 3.63 -3.53 0.00 -1.26 -1.05 105.19 103.64 2yr3 n GLY 37 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 2yr3 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yr3 s THR 38 N -2.00 -0.13 1.02 2.61 2.01 -1.17 -4.30 115.64 113.67 2yr3 s THR 38 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 2yr3 s THR 38 Cb 0.00 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.71 2yr3 s THR 38 CO 0.00 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.86 2yr3 s PRO 39 N 1.71 0.26 -0.30 4.92 0.04 -1.26 -1.20 135.00 139.17 2yr3 s PRO 39 Ca -0.09 0.46 -0.40 0.00 0.04 0.00 0.00 61.00 61.01 2yr3 s PRO 39 Cb -0.05 -1.72 -0.16 0.00 0.04 0.00 0.00 34.50 32.61 2yr3 s PRO 39 CO -0.18 -2.84 1.79 0.28 0.04 0.00 0.00 177.00 176.09 2yr3 n VAL 40 N -4.24 0.28 -1.28 -0.36 0.31 -1.26 -4.86 118.33 106.92 2yr3 n VAL 40 Ca 0.05 -0.07 -0.31 0.00 -0.01 0.00 0.00 64.34 64.00 2yr3 n VAL 40 Cb 0.57 -1.22 0.09 0.00 -0.91 0.00 0.00 33.84 32.38 2yr3 n VAL 40 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2yr3 s PRO 41 N 3.81 2.27 -0.10 5.55 0.04 -1.26 -4.91 135.00 140.40 2yr3 s PRO 41 Ca 1.00 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 2yr3 s PRO 41 Cb -1.08 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2yr3 s PRO 41 CO 0.65 -1.63 1.56 1.03 0.04 0.00 0.00 177.00 178.65 2yr3 s ARG 42 N -4.85 4.14 -0.52 4.56 3.00 0.05 -4.76 118.95 120.57 2yr3 s ARG 42 Ca 0.62 2.00 -0.19 0.00 0.00 0.00 0.00 55.73 58.16 2yr3 s ARG 42 Cb -0.17 -3.94 0.06 0.00 0.00 0.00 0.00 34.95 30.89 2yr3 s ARG 42 CO 0.55 -0.88 0.63 0.42 0.00 0.00 0.00 175.30 176.03 2yr3 s ILE 43 N 4.09 4.87 -0.07 1.52 -1.09 -1.26 -3.53 121.20 125.72 2yr3 s ILE 43 Ca 0.69 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 58.54 2yr3 s ILE 43 Cb -0.30 -4.32 0.03 0.00 -1.58 0.00 0.00 42.46 36.30 2yr3 s ILE 43 CO 0.26 -0.84 0.04 -0.89 -1.23 0.00 0.00 174.94 172.28 2yr3 s THR 44 N 2.63 0.12 0.18 2.92 2.01 -1.05 -5.01 115.64 117.43 2yr3 s THR 44 Ca 0.15 0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.31 2yr3 s THR 44 Cb -0.20 -0.37 -0.06 0.00 0.01 0.00 0.00 72.50 71.88 2yr3 s THR 44 CO 0.11 0.17 0.43 0.26 -0.69 0.00 0.00 174.62 174.90 2yr3 s TRP 45 N 2.07 3.46 0.12 4.92 0.52 -1.26 -2.02 118.94 126.76 2yr3 s TRP 45 Ca 0.05 0.62 0.10 0.00 0.02 0.00 0.00 56.10 56.89 2yr3 s TRP 45 Cb -0.13 -2.06 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 2yr3 s TRP 45 CO -0.05 0.37 -0.22 -0.51 0.02 0.00 0.00 176.95 176.57 2yr3 s LEU 46 N -2.81 2.55 -0.10 2.99 2.01 -0.97 -2.63 118.68 119.71 2yr3 s LEU 46 Ca 0.43 -0.63 0.00 0.00 0.01 0.00 0.00 54.13 53.94 2yr3 s LEU 46 Cb -0.12 -1.42 0.02 0.00 0.01 0.00 0.00 46.19 44.69 2yr3 s LEU 46 CO 0.25 0.18 -0.09 -0.22 1.01 0.00 0.00 176.35 177.47 2yr3 s LEU 47 N -2.09 1.35 -0.60 1.79 2.96 0.10 -3.10 118.68 119.09 2yr3 s LEU 47 Ca 0.16 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2yr3 s LEU 47 Cb -0.10 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.73 2yr3 s LEU 47 CO 0.08 -0.07 0.00 -0.46 -1.32 0.00 0.00 176.35 174.58 2yr3 n ASN 48 N 4.61 -2.20 -0.26 3.68 0.23 -1.25 0.13 115.26 120.19 2yr3 n ASN 48 Ca -0.16 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2yr3 n ASN 48 Cb 0.50 -2.07 0.00 0.00 -2.08 0.00 0.00 39.78 36.13 2yr3 n ASN 48 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yr3 n GLY 49 N -0.45 0.98 3.09 4.83 0.00 -1.26 -4.98 105.19 107.40 2yr3 n GLY 49 Ca -0.07 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2yr3 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yr3 s GLN 50 N -2.95 0.24 -0.33 1.61 -0.21 0.12 -5.12 119.66 113.03 2yr3 s GLN 50 Ca 0.00 0.45 -0.29 0.00 0.02 0.00 0.00 55.36 55.55 2yr3 s GLN 50 Cb 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 33.01 33.99 2yr3 s GLN 50 CO 0.00 -0.11 1.68 -1.25 -2.12 0.00 0.00 175.29 173.50 2yr3 s PRO 51 N 0.78 3.47 -0.04 2.91 0.04 -1.26 0.01 135.00 140.91 2yr3 s PRO 51 Ca -0.05 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 2yr3 s PRO 51 Cb -0.07 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.29 2yr3 s PRO 51 CO -0.05 -1.69 1.45 0.42 0.04 0.00 0.00 177.00 177.17 2yr3 s ILE 52 N 6.27 3.74 -0.09 0.56 1.01 -1.08 -4.90 121.20 126.72 2yr3 s ILE 52 Ca 0.74 1.05 0.15 0.00 0.00 0.00 0.00 60.65 62.60 2yr3 s ILE 52 Cb -0.21 -3.68 -0.19 0.00 0.01 0.00 0.00 42.46 38.39 2yr3 s ILE 52 CO 0.33 -0.04 0.66 0.00 0.00 0.00 0.00 174.94 175.89 2yr3 n GLN 53 N 6.00 0.63 -1.12 2.79 10.64 -1.26 -4.04 117.38 131.03 2yr3 n GLN 53 Ca 0.14 0.22 -0.14 0.00 -1.83 0.00 0.00 57.00 55.39 2yr3 n GLN 53 Cb 0.43 -1.76 0.25 0.00 -0.86 0.00 0.00 30.24 28.30 2yr3 n GLN 53 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 2yr3 n TYR 54 N -2.92 2.71 -2.50 2.61 0.18 -1.26 -4.91 117.16 111.07 2yr3 n TYR 54 Ca -0.15 -1.52 -0.41 0.00 1.88 0.00 0.00 57.90 57.70 2yr3 n TYR 54 Cb 0.96 -0.81 -0.03 0.00 -0.38 0.00 0.00 39.34 39.08 2yr3 n TYR 54 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2yr3 s ALA 55 N -3.15 2.69 -0.31 -3.48 0.00 -1.26 -4.88 121.76 111.37 2yr3 s ALA 55 Ca 0.56 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2yr3 s ALA 55 Cb 0.46 -4.29 -0.18 0.00 0.00 0.00 0.00 23.12 19.11 2yr3 s ALA 55 CO 0.12 -3.38 2.91 0.54 0.00 0.00 0.00 175.76 175.95 2yr3 n ARG 56 N 9.32 1.93 -2.00 0.00 1.74 -1.26 -4.91 116.66 121.48 2yr3 n ARG 56 Ca 0.07 -1.05 -0.42 0.00 -0.77 0.00 0.00 57.85 55.68 2yr3 n ARG 56 Cb 0.49 -2.08 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 2yr3 n ARG 56 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2yr3 s SER 57 N 2.32 6.66 -0.08 0.55 1.04 -1.26 -4.26 113.70 118.67 2yr3 s SER 57 Ca 0.54 2.44 0.03 0.00 0.48 0.00 0.00 55.95 59.45 2yr3 s SER 57 Cb 0.23 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.79 2yr3 s SER 57 CO -0.01 -0.82 -0.17 0.42 0.98 0.00 0.00 173.24 173.64 2yr3 s THR 58 N 2.03 1.52 -0.20 2.02 -4.23 0.15 -4.91 115.64 112.02 2yr3 s THR 58 Ca 0.70 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 2yr3 s THR 58 Cb -0.39 -1.35 -0.01 0.00 1.34 0.00 0.00 72.50 72.09 2yr3 s THR 58 CO 0.31 0.44 -0.08 0.00 -0.54 0.00 0.00 174.62 174.75 2yr3 s GLU 60 N 1.26 2.84 -0.66 0.00 2.02 -0.73 -4.49 118.70 118.94 2yr3 s GLU 60 Ca 0.03 -2.07 -0.02 0.00 0.02 0.00 0.00 54.97 52.94 2yr3 s GLU 60 Cb -0.14 -4.07 0.00 0.00 0.10 0.00 0.00 34.13 30.02 2yr3 s GLU 60 CO -0.03 -1.23 0.20 0.00 0.02 0.00 0.00 175.26 174.21 2yr3 n ALA 61 N 4.47 -0.37 0.00 5.21 0.00 -1.26 -3.01 120.51 125.55 2yr3 n ALA 61 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2yr3 n ALA 61 Cb 0.42 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2yr3 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yr3 n GLY 62 N -1.06 3.16 3.56 0.00 0.00 -1.26 -5.00 105.19 104.60 2yr3 n GLY 62 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2yr3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yr3 s VAL 63 N -2.96 3.70 0.52 1.61 1.01 -1.16 -2.68 120.40 120.43 2yr3 s VAL 63 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2yr3 s VAL 63 Cb 0.00 -4.57 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 2yr3 s VAL 63 CO 0.00 -1.47 1.28 0.00 0.00 0.00 0.00 175.10 174.91 2yr3 s ALA 64 N 7.43 2.87 -0.03 5.51 0.00 -0.49 -1.77 121.76 135.27 2yr3 s ALA 64 Ca 0.58 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 2yr3 s ALA 64 Cb -0.03 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2yr3 s ALA 64 CO -0.05 -1.10 0.25 -1.21 0.00 0.00 0.00 175.76 173.65 2yr3 s GLU 65 N -2.84 0.51 -0.37 0.00 2.02 0.13 -1.42 118.70 116.73 2yr3 s GLU 65 Ca 0.69 -0.09 0.02 0.00 0.02 0.00 0.00 54.97 55.61 2yr3 s GLU 65 Cb -0.36 0.23 0.11 0.00 0.10 0.00 0.00 34.13 34.21 2yr3 s GLU 65 CO 0.42 -0.12 0.12 -1.17 0.02 0.00 0.00 175.26 174.53 2yr3 s LEU 66 N -0.92 3.52 -0.20 1.80 2.96 -0.77 0.32 118.68 125.40 2yr3 s LEU 66 Ca -0.10 -2.16 -0.29 0.00 -0.22 0.00 0.00 54.13 51.36 2yr3 s LEU 66 Cb -0.05 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 2yr3 s LEU 66 CO 0.02 -0.36 1.40 -1.00 -1.32 0.00 0.00 176.35 175.10 2yr3 s HIS 67 N 0.92 2.52 -0.33 5.38 3.76 -1.26 -2.71 115.29 123.57 2yr3 s HIS 67 Ca 0.12 0.76 0.02 0.00 -0.15 0.00 0.00 55.06 55.81 2yr3 s HIS 67 Cb -0.20 -3.78 0.10 0.00 1.11 0.00 0.00 32.58 29.82 2yr3 s HIS 67 CO -0.12 -2.26 0.08 0.42 -0.85 0.00 0.00 174.74 172.02 2yr3 s ILE 68 N 4.19 1.56 0.46 0.60 -1.09 -0.75 -4.72 121.20 121.45 2yr3 s ILE 68 Ca 0.61 -1.91 -0.05 0.00 -2.23 0.00 0.00 60.65 57.08 2yr3 s ILE 68 Cb -0.22 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 2yr3 s ILE 68 CO 0.22 -0.65 0.75 0.00 -1.23 0.00 0.00 174.94 174.03 2yr3 s GLN 69 N 1.21 3.54 -1.18 2.79 -2.07 -1.26 -2.47 119.66 120.21 2yr3 s GLN 69 Ca 0.11 0.14 -0.03 0.00 -1.82 0.00 0.00 55.36 53.76 2yr3 s GLN 69 Cb -0.18 -2.41 -0.02 0.00 -1.09 0.00 0.00 33.01 29.31 2yr3 s GLN 69 CO -0.16 -0.15 0.90 -3.47 -1.32 0.00 0.00 175.29 171.09 2yr3 n ASP 70 N -2.17 -3.11 -4.54 12.60 2.03 -1.21 -4.76 116.55 115.39 2yr3 n ASP 70 Ca -0.00 -0.71 -0.24 0.00 0.52 0.00 0.00 54.79 54.37 2yr3 n ASP 70 Cb 0.55 -4.82 -0.11 0.00 -0.72 0.00 0.00 41.12 36.03 2yr3 n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yr3 n ALA 71 N -3.95 0.61 -1.80 -1.67 0.00 -0.83 -4.85 120.51 108.02 2yr3 n ALA 71 Ca -0.23 -1.03 -0.32 0.00 0.00 0.00 0.00 53.44 51.86 2yr3 n ALA 71 Cb 0.66 -2.94 -0.01 0.00 0.00 0.00 0.00 19.45 17.15 2yr3 n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yr3 s LEU 72 N 10.16 3.48 0.52 0.00 1.43 -1.26 -3.63 118.68 129.38 2yr3 s LEU 72 Ca 1.08 1.58 0.33 0.00 -1.03 0.00 0.00 54.13 56.10 2yr3 s LEU 72 Cb -0.44 -4.50 1.36 0.00 0.03 0.00 0.00 46.19 42.64 2yr3 s LEU 72 CO 0.28 -0.80 1.97 1.55 0.23 0.00 0.00 176.35 179.57 2yr3 h PRO 73 N 0.46 0.00 -0.01 1.29 0.13 -1.90 -2.31 132.00 129.65 2yr3 h PRO 73 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2yr3 h PRO 73 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yr3 h PRO 73 CO 0.61 0.00 -0.08 -0.85 -0.23 0.00 0.00 178.00 177.44 2yr3 n GLU 74 N -2.97 1.43 -0.02 0.86 0.28 -1.26 -3.87 120.64 115.09 2yr3 n GLU 74 Ca 0.01 -0.85 -0.12 0.00 -0.16 0.00 0.00 57.16 56.03 2yr3 n GLU 74 Cb 0.28 -1.48 -0.14 0.00 1.43 0.00 0.00 31.44 31.53 2yr3 n GLU 74 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2yr3 n ASP 75 N -0.04 1.21 -4.51 -1.84 2.03 -0.87 -4.85 116.55 107.67 2yr3 n ASP 75 Ca 0.17 0.33 -0.35 0.00 0.52 0.00 0.00 54.79 55.46 2yr3 n ASP 75 Cb 0.36 -0.25 -0.15 0.00 -0.72 0.00 0.00 41.12 40.36 2yr3 n ASP 75 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2yr3 n HIS 76 N -3.16 0.59 0.00 -0.67 -0.00 -1.24 -4.71 115.22 106.03 2yr3 n HIS 76 Ca -0.22 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2yr3 n HIS 76 Cb 1.05 -2.03 0.00 0.00 -0.00 0.00 0.00 29.99 29.01 2yr3 n HIS 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2yr3 n GLY 77 N 6.23 4.40 2.68 1.57 0.00 -1.25 -4.99 105.19 113.83 2yr3 n GLY 77 Ca 0.61 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2yr3 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yr3 s THR 78 N 3.88 0.61 -0.16 2.61 2.01 -1.26 -3.70 115.64 119.63 2yr3 s THR 78 Ca 0.00 -1.24 -0.29 0.00 0.31 0.00 0.00 61.69 60.47 2yr3 s THR 78 Cb 0.00 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 2yr3 s THR 78 CO 0.00 -0.70 1.08 -0.31 -0.69 0.00 0.00 174.62 174.00 2yr3 s TYR 79 N 1.73 3.32 -0.19 4.92 1.51 -0.83 -3.86 117.35 123.95 2yr3 s TYR 79 Ca 0.10 1.42 -0.00 0.00 -1.01 0.00 0.00 57.07 57.58 2yr3 s TYR 79 Cb -0.17 -3.29 0.05 0.00 -0.11 0.00 0.00 41.96 38.44 2yr3 s TYR 79 CO -0.28 -0.64 -0.05 0.99 -1.11 0.00 0.00 175.55 174.45 2yr3 s THR 80 N 2.73 1.27 -0.54 -0.71 2.01 -1.18 0.87 115.64 120.09 2yr3 s THR 80 Ca 0.48 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 2yr3 s THR 80 Cb -0.18 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 70.89 2yr3 s THR 80 CO 0.13 0.05 0.94 0.00 -0.69 0.00 0.00 174.62 175.04 2yr3 s LEU 82 N 3.91 4.21 -0.29 0.00 2.96 -0.86 -2.29 118.68 126.32 2yr3 s LEU 82 Ca 0.31 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 2yr3 s LEU 82 Cb -0.12 -2.38 0.09 0.00 0.50 0.00 0.00 46.19 44.28 2yr3 s LEU 82 CO 0.20 0.05 0.09 0.00 -1.32 0.00 0.00 176.35 175.37 2yr3 s ALA 83 N 0.75 1.41 -0.01 5.97 0.00 0.07 -2.53 121.76 127.43 2yr3 s ALA 83 Ca 0.16 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 50.68 2yr3 s ALA 83 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 2yr3 s ALA 83 CO 0.05 -1.59 -0.18 -1.83 0.00 0.00 0.00 175.76 172.20 2yr3 s GLU 84 N 1.68 1.48 0.19 0.00 -1.05 -1.23 -1.95 118.70 117.82 2yr3 s GLU 84 Ca 0.08 -0.67 0.01 0.00 -0.15 0.00 0.00 54.97 54.24 2yr3 s GLU 84 Cb -0.17 -1.44 -0.01 0.00 -0.44 0.00 0.00 34.13 32.07 2yr3 s GLU 84 CO -0.24 0.39 0.05 0.27 0.95 0.00 0.00 175.26 176.69 2yr3 n ASN 85 N 2.58 1.40 0.00 0.83 0.23 -0.44 -0.77 115.26 119.09 2yr3 n ASN 85 Ca -0.15 -1.97 0.06 0.00 -0.53 0.00 0.00 54.58 51.99 2yr3 n ASN 85 Cb 0.54 0.40 0.33 0.00 -2.08 0.00 0.00 39.78 38.96 2yr3 n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yr3 n ALA 86 N -2.17 1.84 -0.58 -2.53 0.00 -1.26 -3.85 120.51 111.96 2yr3 n ALA 86 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2yr3 n ALA 86 Cb 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2yr3 n ALA 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yr3 n LEU 87 N -1.13 0.00 0.00 0.00 4.32 -1.26 -5.11 117.00 113.81 2yr3 n LEU 87 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 2yr3 n LEU 87 Cb 0.06 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2yr3 n LEU 87 CO 0.08 -0.21 0.00 0.61 -1.22 0.00 0.00 177.39 176.65 2yr3 n GLY 88 N 2.53 5.56 3.61 -0.72 0.00 -1.25 -5.01 105.19 109.91 2yr3 n GLY 88 Ca 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 46.02 43.83 2yr3 n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yr3 s GLN 89 N -0.64 0.65 0.03 1.61 1.03 -1.26 -1.33 119.66 119.75 2yr3 s GLN 89 Ca 0.00 1.24 -0.00 0.00 0.04 0.00 0.00 55.36 56.64 2yr3 s GLN 89 Cb 0.00 0.30 -0.03 0.00 0.03 0.00 0.00 33.01 33.31 2yr3 s GLN 89 CO 0.00 -0.16 -0.03 0.14 -2.54 0.00 0.00 175.29 172.69 2yr3 s VAL 90 N 1.92 0.18 -0.09 3.63 -7.23 -0.82 -4.98 120.40 113.01 2yr3 s VAL 90 Ca -0.09 -1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2yr3 s VAL 90 Cb -0.07 -0.61 0.04 0.00 0.56 0.00 0.00 36.38 36.30 2yr3 s VAL 90 CO -0.19 -0.61 0.22 -0.94 -0.31 0.00 0.00 175.10 173.26 2yr3 s SER 91 N -1.84 -0.23 -0.10 4.85 1.04 -1.26 -0.75 113.70 115.41 2yr3 s SER 91 Ca -0.10 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.81 2yr3 s SER 91 Cb -0.06 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2yr3 s SER 91 CO -0.03 -0.13 -0.17 0.00 0.98 0.00 0.00 173.24 173.89 2yr3 s SER 93 N 0.77 6.32 0.11 0.00 1.04 -1.26 -0.54 113.70 120.15 2yr3 s SER 93 Ca -0.11 0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.48 2yr3 s SER 93 Cb -0.16 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 64.02 2yr3 s SER 93 CO 0.02 -0.15 0.27 0.00 0.98 0.00 0.00 173.24 174.36 2yr3 s ALA 94 N -2.08 -0.43 -0.16 5.32 0.00 0.25 -4.77 121.76 119.89 2yr3 s ALA 94 Ca 0.37 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.88 2yr3 s ALA 94 Cb -0.10 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.63 2yr3 s ALA 94 CO 0.32 -0.57 -0.19 -0.46 0.00 0.00 0.00 175.76 174.85 2yr3 s TRP 95 N -3.85 2.73 -0.17 0.00 -0.11 -1.26 -1.96 118.94 114.31 2yr3 s TRP 95 Ca 0.06 -1.33 0.01 0.00 1.22 0.00 0.00 56.10 56.05 2yr3 s TRP 95 Cb 0.04 -1.87 0.03 0.00 -1.50 0.00 0.00 33.47 30.16 2yr3 s TRP 95 CO -0.10 -0.63 -0.16 0.08 -4.62 0.00 0.00 176.95 171.53 2yr3 s VAL 96 N 0.96 1.78 -0.19 5.86 1.01 -1.24 -3.32 120.40 125.26 2yr3 s VAL 96 Ca -0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 2yr3 s VAL 96 Cb -0.15 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2yr3 s VAL 96 CO -0.04 0.43 0.06 -0.89 0.00 0.00 0.00 175.10 174.65 2yr3 s THR 97 N 1.39 4.72 -0.33 3.92 2.01 -1.03 -3.80 115.64 122.51 2yr3 s THR 97 Ca 0.04 -0.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 2yr3 s THR 97 Cb -0.14 -3.13 0.04 0.00 0.01 0.00 0.00 72.50 69.28 2yr3 s THR 97 CO -0.11 0.45 0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 2yr3 s VAL 98 N 0.45 3.83 -1.48 3.82 1.01 -1.26 -1.94 120.40 124.83 2yr3 s VAL 98 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2yr3 s VAL 98 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2yr3 s VAL 98 CO 0.01 -0.15 0.37 1.41 0.00 0.00 0.00 175.10 176.74