#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 1.28 0.05 1.61 1.04 -1.26 -5.16 113.70 111.26 2yr3 s SER 2 Ca 0.00 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 55.72 2yr3 s SER 2 Cb 0.00 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2yr3 s SER 2 CO 0.00 -0.26 -0.03 -0.55 0.98 0.00 0.00 173.24 173.39 2yr3 s SER 3 N -2.23 4.89 0.00 7.02 0.15 -1.26 -4.79 113.70 117.48 2yr3 s SER 3 Ca 0.02 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2yr3 s SER 3 Cb -0.04 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 2yr3 s SER 3 CO -0.00 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2yr3 n GLY 4 N 1.01 2.21 3.31 9.45 0.00 -1.26 -4.99 105.19 114.92 2yr3 n GLY 4 Ca -0.13 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2yr3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yr3 s SER 5 N -3.35 0.94 -0.25 1.61 1.04 -1.26 -5.18 113.70 107.25 2yr3 s SER 5 Ca 0.00 -1.54 -0.27 0.00 0.48 0.00 0.00 55.95 54.62 2yr3 s SER 5 Cb 0.00 0.52 0.15 0.00 0.10 0.00 0.00 66.02 66.79 2yr3 s SER 5 CO 0.00 -1.03 1.16 -0.94 0.98 0.00 0.00 173.24 173.41 2yr3 s SER 6 N -3.26 -0.28 -0.10 7.02 1.04 -1.26 -4.91 113.70 111.95 2yr3 s SER 6 Ca 0.38 0.45 0.02 0.00 0.48 0.00 0.00 55.95 57.27 2yr3 s SER 6 Cb 0.03 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2yr3 s SER 6 CO 0.20 -0.16 -0.14 -0.83 0.98 0.00 0.00 173.24 173.29 2yr3 s GLY 7 N -0.35 0.99 -0.04 7.32 0.00 -1.26 -5.12 107.32 108.86 2yr3 s GLY 7 Ca 0.04 -0.67 -0.17 0.00 0.00 0.00 0.00 44.72 43.92 2yr3 s GLY 7 CO -0.07 0.24 0.47 -3.16 0.00 0.00 0.00 173.10 170.58 2yr3 s MET 8 N 0.97 4.16 1.20 2.90 0.00 -1.26 -5.07 119.30 122.20 2yr3 s MET 8 Ca -0.07 0.49 -0.17 0.00 0.00 0.00 0.00 55.69 55.94 2yr3 s MET 8 Cb -0.15 -3.32 0.24 0.00 0.00 0.00 0.00 34.83 31.60 2yr3 s MET 8 CO -0.01 0.45 0.58 0.39 0.00 0.00 0.00 175.02 176.42 2yr3 n GLU 9 N 2.62 -2.59 -4.21 3.16 4.71 -1.26 -5.05 120.64 118.02 2yr3 n GLU 9 Ca -0.10 -0.74 -0.12 0.00 -0.01 0.00 0.00 57.16 56.18 2yr3 n GLU 9 Cb 0.52 -1.91 -0.10 0.00 -1.01 0.00 0.00 31.44 28.94 2yr3 n GLU 9 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2yr3 s VAL 10 N -2.27 0.26 0.34 2.62 -7.23 -1.00 -4.97 120.40 108.15 2yr3 s VAL 10 Ca 0.62 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.74 2yr3 s VAL 10 Cb -0.17 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.43 2yr3 s VAL 10 CO 0.62 -0.27 0.66 0.00 -0.31 0.00 0.00 175.10 175.80 2yr3 s ALA 11 N -3.96 3.48 0.36 1.32 0.00 -1.26 -2.32 121.76 119.38 2yr3 s ALA 11 Ca 0.30 -0.34 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 2yr3 s ALA 11 Cb 0.07 -2.52 -0.09 0.00 0.00 0.00 0.00 23.12 20.58 2yr3 s ALA 11 CO 0.07 0.16 1.21 -1.25 0.00 0.00 0.00 175.76 175.94 2yr3 s PRO 12 N -3.59 4.24 0.19 0.00 0.04 -1.26 -4.07 135.00 130.55 2yr3 s PRO 12 Ca 0.48 1.97 -0.15 0.00 0.04 0.00 0.00 61.00 63.34 2yr3 s PRO 12 Cb -0.11 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.56 2yr3 s PRO 12 CO 0.29 -0.20 0.46 -1.12 0.04 0.00 0.00 177.00 176.47 2yr3 s SER 13 N -0.87 -0.16 -0.52 6.66 0.01 0.10 -4.67 113.70 114.26 2yr3 s SER 13 Ca 0.52 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 57.17 2yr3 s SER 13 Cb -0.34 0.54 0.13 0.00 0.21 0.00 0.00 66.02 66.56 2yr3 s SER 13 CO 0.44 -1.03 0.27 -0.36 0.41 0.00 0.00 173.24 172.97 2yr3 s PHE 14 N -3.92 3.27 0.26 2.43 0.08 -1.26 -0.29 117.98 118.55 2yr3 s PHE 14 Ca 0.13 -3.10 -0.02 0.00 0.12 0.00 0.00 56.93 54.07 2yr3 s PHE 14 Cb 0.00 -2.88 0.47 0.00 -0.57 0.00 0.00 43.02 40.04 2yr3 s PHE 14 CO -0.00 -0.77 1.81 1.03 -0.10 0.00 0.00 175.22 177.19 2yr3 h SER 15 N 6.67 0.76 -3.12 1.36 0.87 -1.52 -3.35 113.55 115.23 2yr3 h SER 15 Ca -0.07 0.05 -0.58 0.00 -1.23 0.00 0.00 61.79 59.97 2yr3 h SER 15 Cb 0.91 -0.09 -0.40 0.00 -0.44 0.00 0.00 62.40 62.38 2yr3 h SER 15 CO 0.68 0.41 -0.76 -0.44 -0.53 0.00 0.00 176.83 176.19 2yr3 s SER 16 N -5.62 3.91 0.97 6.23 0.01 -1.13 -4.94 113.70 113.14 2yr3 s SER 16 Ca -0.12 -1.70 -0.12 0.00 1.31 0.00 0.00 55.95 55.32 2yr3 s SER 16 Cb 0.21 -0.80 0.17 0.00 0.21 0.00 0.00 66.02 65.81 2yr3 s SER 16 CO 0.79 -0.40 1.08 0.68 0.41 0.00 0.00 173.24 175.80 2yr3 s VAL 17 N 1.55 2.35 0.55 3.43 -7.23 -1.26 -1.78 120.40 118.00 2yr3 s VAL 17 Ca 0.11 0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 60.21 2yr3 s VAL 17 Cb -0.18 -2.48 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 2yr3 s VAL 17 CO -0.24 -0.15 1.06 -0.76 -0.31 0.00 0.00 175.10 174.71 2yr3 s LEU 18 N -6.51 3.67 -0.05 1.32 1.43 -1.26 -4.88 118.68 112.40 2yr3 s LEU 18 Ca 0.65 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.69 2yr3 s LEU 18 Cb -0.20 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.48 2yr3 s LEU 18 CO 0.59 -1.03 -0.10 -0.54 0.23 0.00 0.00 176.35 175.49 2yr3 s LYS 19 N -3.63 1.31 0.70 1.70 -0.14 -1.26 -4.84 119.74 113.58 2yr3 s LYS 19 Ca 0.66 -0.35 -0.16 0.00 -1.36 0.00 0.00 55.97 54.77 2yr3 s LYS 19 Cb -0.17 -1.15 -0.14 0.00 -1.68 0.00 0.00 37.83 34.69 2yr3 s LYS 19 CO 0.29 0.07 -0.44 -0.40 -0.76 0.00 0.00 175.35 174.10 2yr3 n ASP 20 N 3.59 -4.48 -3.62 2.83 5.68 -1.26 -4.88 116.55 114.41 2yr3 n ASP 20 Ca -0.21 0.36 -0.15 0.00 -0.50 0.00 0.00 54.79 54.29 2yr3 n ASP 20 Cb 0.53 -0.73 -0.07 0.00 -1.14 0.00 0.00 41.12 39.71 2yr3 n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2yr3 s ALA 22 N -0.57 2.53 0.30 0.00 0.00 -1.26 -1.58 121.76 121.18 2yr3 s ALA 22 Ca -0.07 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 50.91 2yr3 s ALA 22 Cb -0.03 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 2yr3 s ALA 22 CO 0.05 -0.10 -0.11 0.54 0.00 0.00 0.00 175.76 176.14 2yr3 s VAL 23 N 0.93 2.07 0.02 0.00 0.11 -1.06 -4.99 120.40 117.47 2yr3 s VAL 23 Ca -0.03 -2.23 -0.17 0.00 -2.93 0.00 0.00 61.98 56.62 2yr3 s VAL 23 Cb -0.15 -2.44 -0.06 0.00 -1.53 0.00 0.00 36.38 32.20 2yr3 s VAL 23 CO -0.02 -0.32 0.49 -0.63 -3.33 0.00 0.00 175.10 171.29 2yr3 s ILE 24 N -2.74 4.92 -0.09 7.04 -1.09 -1.26 -0.41 121.20 127.58 2yr3 s ILE 24 Ca 0.30 1.02 -0.35 0.00 -2.23 0.00 0.00 60.65 59.38 2yr3 s ILE 24 Cb 0.01 -3.81 -0.13 0.00 -1.58 0.00 0.00 42.46 36.95 2yr3 s ILE 24 CO 0.14 0.54 1.80 1.21 -1.23 0.00 0.00 174.94 177.39 2yr3 n GLU 25 N 2.01 1.94 0.00 2.79 2.13 -1.26 -0.55 120.64 127.70 2yr3 n GLU 25 Ca -0.12 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.41 2yr3 n GLU 25 Cb 0.52 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 4.18 0.77 3.68 8.31 0.00 -1.11 -5.02 105.19 115.99 2yr3 n GLY 26 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 2yr3 n GLY 26 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yr3 n GLN 27 N -1.78 -0.30 -4.44 1.61 3.00 0.29 -4.51 117.38 111.25 2yr3 n GLN 27 Ca 0.00 -2.46 -0.25 0.00 -0.01 0.00 0.00 57.00 54.28 2yr3 n GLN 27 Cb 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 30.24 29.37 2yr3 n GLN 27 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 2yr3 s ASP 28 N -5.01 3.45 -0.26 1.08 -4.77 -1.26 -0.57 116.67 109.33 2yr3 s ASP 28 Ca 0.65 -0.95 -0.16 0.00 -3.30 0.00 0.00 52.55 48.78 2yr3 s ASP 28 Cb -0.03 -0.27 0.08 0.00 -1.09 0.00 0.00 42.92 41.60 2yr3 s ASP 28 CO 0.43 0.06 0.66 0.72 0.70 0.00 0.00 175.17 177.75 2yr3 s PHE 29 N -2.15 -0.97 -0.21 2.11 -0.12 -0.19 -4.99 117.98 111.46 2yr3 s PHE 29 Ca 0.25 2.00 0.00 0.00 -0.05 0.00 0.00 56.93 59.14 2yr3 s PHE 29 Cb -0.06 0.54 0.03 0.00 -0.63 0.00 0.00 43.02 42.90 2yr3 s PHE 29 CO 0.12 -0.48 -0.14 0.54 -0.05 0.00 0.00 175.22 175.21 2yr3 s VAL 30 N 1.42 2.37 0.43 -2.49 0.11 -1.26 -1.71 120.40 119.27 2yr3 s VAL 30 Ca -0.08 -1.03 -0.24 0.00 -2.93 0.00 0.00 61.98 57.70 2yr3 s VAL 30 Cb -0.05 -2.12 -0.08 0.00 -1.53 0.00 0.00 36.38 32.60 2yr3 s VAL 30 CO -0.16 0.36 1.11 -0.76 -3.33 0.00 0.00 175.10 172.32 2yr3 s LEU 31 N 1.28 4.09 -0.04 2.54 1.43 -0.76 -4.82 118.68 122.39 2yr3 s LEU 31 Ca 0.02 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.31 2yr3 s LEU 31 Cb -0.15 -4.20 0.02 0.00 0.03 0.00 0.00 46.19 41.90 2yr3 s LEU 31 CO -0.09 -0.70 -0.03 -1.58 0.23 0.00 0.00 176.35 174.19 2yr3 s GLN 32 N -2.57 0.68 0.01 1.70 0.74 -1.26 -1.69 119.66 117.26 2yr3 s GLN 32 Ca 0.60 -0.04 -0.06 0.00 0.05 0.00 0.00 55.36 55.91 2yr3 s GLN 32 Cb -0.26 -0.76 -0.00 0.00 1.10 0.00 0.00 33.01 33.09 2yr3 s GLN 32 CO 0.32 -0.11 0.10 0.00 -0.55 0.00 0.00 175.29 175.05 2yr3 s SER 34 N -1.57 6.24 -0.09 0.00 0.01 -0.74 -1.73 113.70 115.82 2yr3 s SER 34 Ca -0.13 0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.44 2yr3 s SER 34 Cb -0.07 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2yr3 s SER 34 CO -0.00 -0.12 -0.21 -0.69 0.41 0.00 0.00 173.24 172.63 2yr3 s VAL 35 N 1.79 1.83 0.35 3.43 1.01 0.80 -1.19 120.40 128.42 2yr3 s VAL 35 Ca 0.14 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.32 2yr3 s VAL 35 Cb -0.15 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 2yr3 s VAL 35 CO 0.09 0.51 -0.05 -0.13 0.00 0.00 0.00 175.10 175.52 2yr3 s ARG 36 N 0.41 1.92 0.00 2.72 0.52 0.60 -4.47 118.95 120.66 2yr3 s ARG 36 Ca -0.18 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.15 2yr3 s ARG 36 Cb -0.17 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2yr3 s ARG 36 CO 0.08 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.93 2yr3 n GLY 37 N -0.87 4.18 3.21 -3.53 0.00 -1.26 -0.72 105.19 106.20 2yr3 n GLY 37 Ca -0.05 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.40 1.24 2.61 2.01 -0.98 -4.02 115.64 114.09 2yr3 s THR 38 Ca 0.00 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 2yr3 s THR 38 Cb 0.00 -0.60 0.30 0.00 0.01 0.00 0.00 72.50 72.22 2yr3 s THR 38 CO 0.00 0.07 1.11 -2.16 -0.69 0.00 0.00 174.62 172.95 2yr3 s PRO 39 N 2.17 -1.52 -0.02 4.92 0.04 -1.26 -2.38 135.00 136.95 2yr3 s PRO 39 Ca -0.04 -0.17 -0.34 0.00 0.04 0.00 0.00 61.00 60.49 2yr3 s PRO 39 Cb -0.11 -1.57 -0.12 0.00 0.04 0.00 0.00 34.50 32.74 2yr3 s PRO 39 CO -0.12 -3.89 1.82 0.28 0.04 0.00 0.00 177.00 175.14 2yr3 n VAL 40 N -4.86 0.46 -1.50 -0.36 0.31 -1.26 -4.87 118.33 106.26 2yr3 n VAL 40 Ca 0.15 -0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 64.07 2yr3 n VAL 40 Cb 0.60 -1.83 0.07 0.00 -0.91 0.00 0.00 33.84 31.77 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 3.37 2.51 -0.06 5.55 0.04 -1.26 -4.91 135.00 140.24 2yr3 s PRO 41 Ca 0.89 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 2yr3 s PRO 41 Cb -0.67 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 2yr3 s PRO 41 CO 0.48 -1.46 1.28 1.03 0.04 0.00 0.00 177.00 178.37 2yr3 s ARG 42 N -4.51 4.31 -0.42 4.56 3.00 -0.22 -4.78 118.95 120.90 2yr3 s ARG 42 Ca 0.64 1.76 -0.16 0.00 0.00 0.00 0.00 55.73 57.97 2yr3 s ARG 42 Cb -0.19 -3.61 0.02 0.00 0.00 0.00 0.00 34.95 31.17 2yr3 s ARG 42 CO 0.49 -0.54 0.37 0.42 0.00 0.00 0.00 175.30 176.03 2yr3 s ILE 43 N 2.56 5.18 -0.07 1.52 -1.09 -1.25 -3.63 121.20 124.42 2yr3 s ILE 43 Ca 0.58 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 58.47 2yr3 s ILE 43 Cb -0.26 -3.99 0.02 0.00 -1.58 0.00 0.00 42.46 36.65 2yr3 s ILE 43 CO 0.22 -0.38 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.58 2yr3 s THR 44 N 1.88 0.88 -0.12 2.92 2.01 -1.12 -4.99 115.64 117.10 2yr3 s THR 44 Ca 0.08 -0.30 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 2yr3 s THR 44 Cb -0.18 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 2yr3 s THR 44 CO 0.11 0.31 0.02 0.26 -0.69 0.00 0.00 174.62 174.63 2yr3 s TRP 45 N 0.97 3.19 0.03 4.92 0.52 -1.26 -1.82 118.94 125.49 2yr3 s TRP 45 Ca -0.10 0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.12 2yr3 s TRP 45 Cb -0.15 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.25 2yr3 s TRP 45 CO 0.00 0.33 -0.01 -0.51 0.02 0.00 0.00 176.95 176.78 2yr3 s LEU 46 N -0.38 2.26 -0.88 2.99 1.02 -1.02 -1.04 118.68 121.63 2yr3 s LEU 46 Ca 0.08 -0.64 -0.14 0.00 0.02 0.00 0.00 54.13 53.45 2yr3 s LEU 46 Cb -0.12 0.19 0.21 0.00 0.02 0.00 0.00 46.19 46.49 2yr3 s LEU 46 CO 0.02 -0.41 0.87 -0.22 0.02 0.00 0.00 176.35 176.63 2yr3 s LEU 47 N -1.94 6.46 -1.35 1.79 2.96 -0.93 -1.10 118.68 124.56 2yr3 s LEU 47 Ca -0.08 -2.70 -0.13 0.00 -0.22 0.00 0.00 54.13 51.00 2yr3 s LEU 47 Cb -0.04 -2.24 0.13 0.00 0.50 0.00 0.00 46.19 44.54 2yr3 s LEU 47 CO -0.04 -0.61 0.32 -0.46 -1.32 0.00 0.00 176.35 174.24 2yr3 n ASN 48 N 4.23 -0.77 0.00 3.68 0.23 -0.50 -4.18 115.26 117.95 2yr3 n ASN 48 Ca 0.17 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 53.27 2yr3 n ASN 48 Cb 0.46 -1.21 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 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 -1.29 -1.18 3.87 4.83 0.00 -1.26 -5.06 105.19 105.09 2yr3 n GLY 49 Ca -0.01 0.62 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 2yr3 n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yr3 s GLN 50 N 0.00 3.84 1.03 1.61 -2.07 -1.26 -4.96 119.66 117.85 2yr3 s GLN 50 Ca 0.00 0.44 -0.13 0.00 -1.82 0.00 0.00 55.36 53.85 2yr3 s GLN 50 Cb 0.00 -2.48 0.20 0.00 -1.09 0.00 0.00 33.01 29.64 2yr3 s GLN 50 CO 0.00 0.13 1.09 -1.25 -1.32 0.00 0.00 175.29 173.94 2yr3 s PRO 51 N -3.32 0.19 0.06 9.60 0.04 -1.26 -2.18 135.00 138.12 2yr3 s PRO 51 Ca 0.51 0.44 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 2yr3 s PRO 51 Cb -0.10 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2yr3 s PRO 51 CO 0.24 -2.88 0.31 0.42 0.04 0.00 0.00 177.00 175.13 2yr3 s ILE 52 N -2.97 5.25 -0.23 0.56 1.01 -0.21 -4.82 121.20 119.79 2yr3 s ILE 52 Ca 0.66 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.27 2yr3 s ILE 52 Cb -0.18 -3.60 -0.12 0.00 0.01 0.00 0.00 42.46 38.57 2yr3 s ILE 52 CO 0.58 0.25 -0.20 0.00 0.00 0.00 0.00 174.94 175.57 2yr3 n GLN 53 N 0.76 0.56 -0.34 2.79 1.13 -1.26 -4.38 117.38 116.64 2yr3 n GLN 53 Ca -0.08 0.35 -0.06 0.00 -1.94 0.00 0.00 57.00 55.28 2yr3 n GLN 53 Cb 0.52 -1.56 0.04 0.00 0.11 0.00 0.00 30.24 29.35 2yr3 n GLN 53 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 2yr3 n TYR 54 N -4.37 0.70 -2.59 1.08 4.11 -1.26 -4.84 117.16 109.98 2yr3 n TYR 54 Ca -0.38 -0.91 -0.42 0.00 -0.00 0.00 0.00 57.90 56.19 2yr3 n TYR 54 Cb 0.72 -0.46 -0.03 0.00 -0.00 0.00 0.00 39.34 39.57 2yr3 n TYR 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2yr3 s ALA 55 N -0.76 2.96 -0.05 -3.48 0.00 -1.26 -4.89 121.76 114.28 2yr3 s ALA 55 Ca 0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2yr3 s ALA 55 Cb 0.11 -4.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 2yr3 s ALA 55 CO 0.02 -2.75 2.33 0.54 0.00 0.00 0.00 175.76 175.89 2yr3 n ARG 56 N 8.54 1.33 -1.65 0.00 1.74 -1.26 -4.94 116.66 120.41 2yr3 n ARG 56 Ca 0.07 -0.46 -0.37 0.00 -0.77 0.00 0.00 57.85 56.32 2yr3 n ARG 56 Cb 0.49 -1.30 0.06 0.00 -1.02 0.00 0.00 32.46 30.70 2yr3 n ARG 56 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2yr3 n SER 57 N 1.52 1.39 -3.68 0.55 7.64 -1.26 -4.39 113.62 115.39 2yr3 n SER 57 Ca 0.13 0.80 -0.15 0.00 1.01 0.00 0.00 58.87 60.66 2yr3 n SER 57 Cb 0.59 -1.47 -0.14 0.00 -1.01 0.00 0.00 64.21 62.17 2yr3 n SER 57 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2yr3 s THR 58 N -1.48 -0.27 -0.31 0.44 -4.23 0.47 -4.98 115.64 105.28 2yr3 s THR 58 Ca 0.80 0.29 0.03 0.00 -1.18 0.00 0.00 61.69 61.63 2yr3 s THR 58 Cb -0.39 -0.34 0.08 0.00 1.34 0.00 0.00 72.50 73.19 2yr3 s THR 58 CO 0.43 0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.64 2yr3 s GLU 60 N 1.01 2.51 -1.02 0.00 4.04 -1.11 -4.70 118.70 119.42 2yr3 s GLU 60 Ca 0.03 -0.66 -0.03 0.00 0.04 0.00 0.00 54.97 54.35 2yr3 s GLU 60 Cb -0.20 -2.15 0.00 0.00 0.02 0.00 0.00 34.13 31.81 2yr3 s GLU 60 CO -0.06 -0.12 0.45 0.00 -1.84 0.00 0.00 175.26 173.70 2yr3 n ALA 61 N 4.38 -0.67 -1.14 -0.84 0.00 -1.26 -2.22 120.51 118.74 2yr3 n ALA 61 Ca -0.19 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 2yr3 n ALA 61 Cb 0.51 -2.91 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 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 -1.30 0.75 3.08 0.00 0.00 -1.26 -4.97 105.19 101.49 2yr3 n GLY 62 Ca -0.07 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.07 3.73 0.20 1.61 1.01 -0.94 -0.14 120.40 123.80 2yr3 s VAL 63 Ca 0.00 -3.15 -0.30 0.00 0.00 0.00 0.00 61.98 58.53 2yr3 s VAL 63 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 2yr3 s VAL 63 CO 0.00 -0.91 1.07 0.00 0.00 0.00 0.00 175.10 175.26 2yr3 s ALA 64 N -0.31 3.37 0.02 5.51 0.00 -0.71 -2.75 121.76 126.89 2yr3 s ALA 64 Ca 0.19 0.79 -0.10 0.00 0.00 0.00 0.00 51.96 52.84 2yr3 s ALA 64 Cb -0.18 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.62 2yr3 s ALA 64 CO -0.05 -0.14 0.20 -1.21 0.00 0.00 0.00 175.76 174.56 2yr3 s GLU 65 N -0.68 0.63 -0.21 0.00 2.02 0.08 -1.29 118.70 119.26 2yr3 s GLU 65 Ca 0.47 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 2yr3 s GLU 65 Cb -0.29 0.26 0.06 0.00 0.10 0.00 0.00 34.13 34.26 2yr3 s GLU 65 CO 0.36 -0.17 0.01 -1.17 0.02 0.00 0.00 175.26 174.30 2yr3 s LEU 66 N -1.76 1.57 -0.15 1.80 2.96 -0.68 -0.39 118.68 122.03 2yr3 s LEU 66 Ca -0.09 -0.93 -0.28 0.00 -0.22 0.00 0.00 54.13 52.62 2yr3 s LEU 66 Cb -0.04 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 2yr3 s LEU 66 CO -0.01 -0.29 0.94 -1.00 -1.32 0.00 0.00 176.35 174.67 2yr3 s HIS 67 N 1.73 3.45 -0.17 5.38 3.76 -1.26 -1.83 115.29 126.35 2yr3 s HIS 67 Ca -0.02 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 2yr3 s HIS 67 Cb -0.18 -3.12 0.04 0.00 1.11 0.00 0.00 32.58 30.43 2yr3 s HIS 67 CO -0.07 -0.26 -0.10 0.42 -0.85 0.00 0.00 174.74 173.88 2yr3 s ILE 68 N 2.21 1.46 0.28 0.60 -1.09 -0.69 -4.63 121.20 119.34 2yr3 s ILE 68 Ca 0.43 -0.78 0.07 0.00 -2.23 0.00 0.00 60.65 58.14 2yr3 s ILE 68 Cb -0.17 -1.51 -0.03 0.00 -1.58 0.00 0.00 42.46 39.17 2yr3 s ILE 68 CO 0.14 0.24 0.28 0.00 -1.23 0.00 0.00 174.94 174.38 2yr3 s GLN 69 N 1.49 3.00 -1.36 2.79 -2.07 -1.26 -1.02 119.66 121.22 2yr3 s GLN 69 Ca 0.01 -1.05 -0.06 0.00 -1.82 0.00 0.00 55.36 52.44 2yr3 s GLN 69 Cb -0.15 -2.63 0.03 0.00 -1.09 0.00 0.00 33.01 29.16 2yr3 s GLN 69 CO -0.09 0.29 0.93 -3.47 -1.32 0.00 0.00 175.29 171.63 2yr3 n ASP 70 N -1.33 -3.34 -4.52 12.60 2.03 -1.19 -4.71 116.55 116.09 2yr3 n ASP 70 Ca -0.06 -0.72 -0.28 0.00 0.52 0.00 0.00 54.79 54.25 2yr3 n ASP 70 Cb 0.58 -4.38 -0.16 0.00 -0.72 0.00 0.00 41.12 36.45 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 -4.51 0.70 -2.12 -1.67 0.00 0.26 -4.75 120.51 108.43 2yr3 n ALA 71 Ca -0.14 -0.75 -0.31 0.00 0.00 0.00 0.00 53.44 52.24 2yr3 n ALA 71 Cb 0.61 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 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 6.64 3.80 0.00 0.00 1.43 -1.26 -2.75 118.68 126.55 2yr3 s LEU 72 Ca 1.23 1.22 0.15 0.00 -1.03 0.00 0.00 54.13 55.70 2yr3 s LEU 72 Cb -0.79 -4.10 0.76 0.00 0.03 0.00 0.00 46.19 42.09 2yr3 s LEU 72 CO 0.43 -0.43 1.40 -0.81 0.23 0.00 0.00 176.35 177.18 2yr3 n PRO 73 N -1.31 0.23 0.00 1.29 -0.04 -1.26 -1.89 135.00 132.02 2yr3 n PRO 73 Ca 0.03 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 2yr3 n PRO 73 Cb 0.54 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 2yr3 n PRO 73 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2yr3 n GLU 74 N -1.26 1.92 -0.04 0.54 0.28 -1.26 -4.09 120.64 116.73 2yr3 n GLU 74 Ca 0.07 -1.46 -0.05 0.00 -0.16 0.00 0.00 57.16 55.56 2yr3 n GLU 74 Cb 0.11 -1.47 -0.14 0.00 1.43 0.00 0.00 31.44 31.37 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 0.74 0.38 -4.50 -1.84 2.03 -0.79 -4.90 116.55 107.67 2yr3 n ASP 75 Ca 0.15 0.18 -0.37 0.00 0.52 0.00 0.00 54.79 55.26 2yr3 n ASP 75 Cb 0.50 0.68 -0.16 0.00 -0.72 0.00 0.00 41.12 41.42 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 -2.79 0.46 -1.24 -0.67 -0.00 -1.25 -4.71 115.22 105.01 2yr3 n HIS 76 Ca -0.21 0.30 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2yr3 n HIS 76 Cb 1.00 -2.01 0.00 0.00 -0.00 0.00 0.00 29.99 28.98 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 6.30 4.42 2.93 1.57 0.00 -1.19 -5.00 105.19 114.21 2yr3 n GLY 77 Ca 0.66 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 0.11 1.60 -0.01 2.61 2.01 -1.26 -2.52 115.64 118.18 2yr3 s THR 78 Ca 0.00 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 2yr3 s THR 78 Cb 0.00 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2yr3 s THR 78 CO 0.00 -0.24 1.06 -0.31 -0.69 0.00 0.00 174.62 174.43 2yr3 s TYR 79 N 1.33 3.53 -0.25 4.92 1.51 -0.32 -1.41 117.35 126.66 2yr3 s TYR 79 Ca -0.02 1.54 -0.02 0.00 -1.01 0.00 0.00 57.07 57.56 2yr3 s TYR 79 Cb -0.19 -3.23 0.02 0.00 -0.11 0.00 0.00 41.96 38.45 2yr3 s TYR 79 CO -0.09 -0.48 -0.05 0.99 -1.11 0.00 0.00 175.55 174.82 2yr3 s THR 80 N 1.35 2.96 -0.63 -0.71 2.01 -0.26 -0.28 115.64 120.08 2yr3 s THR 80 Ca 0.53 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 2yr3 s THR 80 Cb -0.23 -2.50 0.15 0.00 0.01 0.00 0.00 72.50 69.93 2yr3 s THR 80 CO 0.26 0.19 0.60 0.00 -0.69 0.00 0.00 174.62 174.98 2yr3 s LEU 82 N 1.34 4.33 -0.26 0.00 2.96 -0.76 -2.75 118.68 123.55 2yr3 s LEU 82 Ca 0.08 1.39 -0.02 0.00 -0.22 0.00 0.00 54.13 55.36 2yr3 s LEU 82 Cb -0.24 -3.30 0.08 0.00 0.50 0.00 0.00 46.19 43.24 2yr3 s LEU 82 CO -0.00 -0.19 0.08 0.00 -1.32 0.00 0.00 176.35 174.91 2yr3 s ALA 83 N 0.97 1.11 0.09 5.97 0.00 0.28 -2.79 121.76 127.39 2yr3 s ALA 83 Ca 0.44 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2yr3 s ALA 83 Cb -0.19 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2yr3 s ALA 83 CO 0.22 -1.45 -0.08 -1.83 0.00 0.00 0.00 175.76 172.62 2yr3 s GLU 84 N 1.83 0.81 0.18 0.00 -1.05 -1.25 -0.91 118.70 118.32 2yr3 s GLU 84 Ca 0.05 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 2yr3 s GLU 84 Cb -0.17 -0.34 -0.00 0.00 -0.44 0.00 0.00 34.13 33.18 2yr3 s GLU 84 CO -0.20 0.03 0.23 0.27 0.95 0.00 0.00 175.26 176.53 2yr3 n ASN 85 N 0.31 -0.62 0.07 0.83 0.23 -0.05 -1.05 115.26 114.97 2yr3 n ASN 85 Ca -0.14 -2.03 0.06 0.00 -0.53 0.00 0.00 54.58 51.93 2yr3 n ASN 85 Cb 0.59 1.20 0.29 0.00 -2.08 0.00 0.00 39.78 39.78 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 -1.80 1.18 -0.50 -2.53 0.00 -1.26 -3.59 120.51 112.01 2yr3 n ALA 86 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2yr3 n ALA 86 Cb 0.31 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.83 0.45 0.00 0.00 7.99 -1.26 -5.09 117.00 117.26 2yr3 n LEU 87 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 2yr3 n LEU 87 Cb 0.06 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 2yr3 n LEU 87 CO 0.07 -0.25 0.00 0.61 -1.51 0.00 0.00 177.39 176.31 2yr3 n GLY 88 N 2.07 6.49 3.60 -0.72 0.00 -1.24 -5.00 105.19 110.40 2yr3 n GLY 88 Ca 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.00 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 0.16 0.62 0.12 1.61 1.03 -1.26 -0.87 119.66 121.06 2yr3 s GLN 89 Ca 0.00 1.28 0.01 0.00 0.04 0.00 0.00 55.36 56.69 2yr3 s GLN 89 Cb 0.00 0.43 -0.04 0.00 0.03 0.00 0.00 33.01 33.42 2yr3 s GLN 89 CO 0.00 -0.18 -0.04 0.14 -2.54 0.00 0.00 175.29 172.68 2yr3 s VAL 90 N 2.16 0.61 -0.08 3.63 -7.23 -0.08 -4.97 120.40 114.45 2yr3 s VAL 90 Ca -0.08 -1.94 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 2yr3 s VAL 90 Cb -0.08 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 35.08 2yr3 s VAL 90 CO -0.19 -0.75 0.42 -0.94 -0.31 0.00 0.00 175.10 173.33 2yr3 s SER 91 N -3.07 -0.37 0.07 4.85 1.04 -1.26 -0.56 113.70 114.41 2yr3 s SER 91 Ca 0.16 0.49 0.01 0.00 0.48 0.00 0.00 55.95 57.09 2yr3 s SER 91 Cb 0.06 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 2yr3 s SER 91 CO -0.02 -0.36 -0.06 0.00 0.98 0.00 0.00 173.24 173.78 2yr3 s SER 93 N -2.67 1.84 -0.00 0.00 1.04 -1.26 -0.92 113.70 111.72 2yr3 s SER 93 Ca 0.05 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.85 2yr3 s SER 93 Cb 0.02 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 2yr3 s SER 93 CO -0.05 -0.06 -0.05 0.00 0.98 0.00 0.00 173.24 174.06 2yr3 s ALA 94 N -1.34 0.40 -0.48 5.32 0.00 0.61 -4.73 121.76 121.54 2yr3 s ALA 94 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 2yr3 s ALA 94 Cb -0.09 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.00 2yr3 s ALA 94 CO 0.03 0.09 0.40 -0.46 0.00 0.00 0.00 175.76 175.82 2yr3 s TRP 95 N -0.09 3.25 -0.20 0.00 -0.11 -1.26 -1.17 118.94 119.36 2yr3 s TRP 95 Ca 0.02 -1.01 -0.07 0.00 1.22 0.00 0.00 56.10 56.25 2yr3 s TRP 95 Cb -0.02 -3.22 -0.04 0.00 -1.50 0.00 0.00 33.47 28.69 2yr3 s TRP 95 CO -0.00 -0.82 0.06 0.08 -4.62 0.00 0.00 176.95 171.64 2yr3 s VAL 96 N 1.62 4.53 -0.05 5.86 1.01 -1.05 -3.36 120.40 128.96 2yr3 s VAL 96 Ca 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2yr3 s VAL 96 Cb -0.25 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2yr3 s VAL 96 CO 0.06 0.42 -0.04 -0.89 0.00 0.00 0.00 175.10 174.64 2yr3 s THR 97 N 0.84 3.91 -0.20 3.92 2.01 -0.61 -3.20 115.64 122.30 2yr3 s THR 97 Ca 0.03 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.56 2yr3 s THR 97 Cb -0.14 -2.65 0.03 0.00 0.01 0.00 0.00 72.50 69.76 2yr3 s THR 97 CO 0.02 0.53 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.63 2yr3 s VAL 98 N -0.90 2.11 -1.64 3.82 1.01 -1.26 -2.56 120.40 120.97 2yr3 s VAL 98 Ca 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2yr3 s VAL 98 Cb -0.11 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2yr3 s VAL 98 CO 0.04 0.37 0.41 1.41 0.00 0.00 0.00 175.10 177.33