#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 3.65 0.28 1.61 1.04 -1.26 -5.03 113.70 113.99 2yr3 s SER 2 Ca 0.00 -1.12 0.02 0.00 0.48 0.00 0.00 55.95 55.33 2yr3 s SER 2 Cb 0.00 -0.32 0.69 0.00 0.10 0.00 0.00 66.02 66.49 2yr3 s SER 2 CO 0.00 -0.10 1.68 -1.28 0.98 0.00 0.00 173.24 174.53 2yr3 h SER 3 N 2.14 0.22 0.00 7.02 0.87 -2.13 -3.44 113.55 118.23 2yr3 h SER 3 Ca -0.41 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2yr3 h SER 3 Cb 1.25 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2yr3 h SER 3 CO 0.66 -0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.53 2yr3 n GLY 4 N -1.35 0.21 3.62 5.77 0.00 -1.26 -5.10 105.19 107.09 2yr3 n GLY 4 Ca 0.21 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2yr3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yr3 s SER 5 N 0.00 6.60 0.22 1.61 0.01 -1.26 -5.00 113.70 115.88 2yr3 s SER 5 Ca 0.00 0.97 0.02 0.00 1.31 0.00 0.00 55.95 58.25 2yr3 s SER 5 Cb 0.00 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 2yr3 s SER 5 CO 0.00 -1.19 0.03 -0.94 0.41 0.00 0.00 173.24 171.56 2yr3 s SER 6 N 2.95 1.43 0.61 2.44 1.04 -1.26 -5.13 113.70 115.79 2yr3 s SER 6 Ca 0.55 -1.26 -0.18 0.00 0.48 0.00 0.00 55.95 55.54 2yr3 s SER 6 Cb -0.14 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.03 2yr3 s SER 6 CO 0.26 -0.61 0.88 0.61 0.98 0.00 0.00 173.24 175.36 2yr3 n GLY 7 N -0.39 -0.56 3.21 7.32 0.00 -1.26 -5.02 105.19 108.49 2yr3 n GLY 7 Ca -0.04 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2yr3 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yr3 s MET 8 N -2.71 0.93 1.03 1.61 0.00 -1.26 -5.14 119.30 113.76 2yr3 s MET 8 Ca 0.75 -1.11 -0.16 0.00 0.00 0.00 0.00 55.69 55.17 2yr3 s MET 8 Cb -0.41 -0.86 0.10 0.00 0.00 0.00 0.00 34.83 33.66 2yr3 s MET 8 CO 0.48 0.18 -0.00 0.39 0.00 0.00 0.00 175.02 176.07 2yr3 n GLU 9 N 0.88 -1.76 -3.91 3.16 4.71 -1.26 -5.04 120.64 117.42 2yr3 n GLU 9 Ca -0.18 -0.51 -0.10 0.00 -0.01 0.00 0.00 57.16 56.35 2yr3 n GLU 9 Cb 0.56 -1.48 -0.10 0.00 -1.01 0.00 0.00 31.44 29.41 2yr3 n GLU 9 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2yr3 s VAL 10 N -2.11 0.10 0.52 2.62 1.01 -0.60 -4.96 120.40 116.97 2yr3 s VAL 10 Ca 0.41 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2yr3 s VAL 10 Cb -0.06 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 2yr3 s VAL 10 CO 0.47 -0.44 0.80 0.00 0.00 0.00 0.00 175.10 175.92 2yr3 s ALA 11 N -1.54 3.48 0.58 5.51 0.00 -1.26 -2.37 121.76 126.17 2yr3 s ALA 11 Ca -0.14 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 2yr3 s ALA 11 Cb -0.08 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2yr3 s ALA 11 CO 0.00 -0.57 1.12 -1.25 0.00 0.00 0.00 175.76 175.07 2yr3 s PRO 12 N -4.79 3.19 0.10 0.00 0.04 -1.26 -4.39 135.00 127.88 2yr3 s PRO 12 Ca 0.51 1.54 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 2yr3 s PRO 12 Cb -0.10 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.53 2yr3 s PRO 12 CO 0.42 -0.97 0.79 0.45 0.04 0.00 0.00 177.00 177.73 2yr3 s SER 13 N -2.02 -0.40 -0.51 6.66 0.15 -0.92 -4.75 113.70 111.91 2yr3 s SER 13 Ca 0.71 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 57.29 2yr3 s SER 13 Cb -0.23 0.50 0.13 0.00 -1.71 0.00 0.00 66.02 64.71 2yr3 s SER 13 CO 0.31 -0.84 0.25 -0.36 1.20 0.00 0.00 173.24 173.80 2yr3 s PHE 14 N -3.43 3.21 0.60 3.44 0.08 -1.26 -2.54 117.98 118.09 2yr3 s PHE 14 Ca 0.05 -3.17 0.29 0.00 0.12 0.00 0.00 56.93 54.22 2yr3 s PHE 14 Cb -0.01 -2.82 1.52 0.00 -0.57 0.00 0.00 43.02 41.13 2yr3 s PHE 14 CO -0.07 -0.75 1.92 1.03 -0.10 0.00 0.00 175.22 177.24 2yr3 h SER 15 N 6.55 0.00 -1.55 1.36 0.87 -1.82 -3.36 113.55 115.60 2yr3 h SER 15 Ca -0.08 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.40 2yr3 h SER 15 Cb 0.90 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.59 2yr3 h SER 15 CO 0.68 0.00 -0.43 -0.55 -0.53 0.00 0.00 176.83 176.00 2yr3 s SER 16 N -5.11 -0.30 0.70 6.23 0.15 -1.21 -4.94 113.70 109.21 2yr3 s SER 16 Ca -0.04 0.27 -0.11 0.00 0.70 0.00 0.00 55.95 56.77 2yr3 s SER 16 Cb 0.14 1.46 0.01 0.00 -1.71 0.00 0.00 66.02 65.92 2yr3 s SER 16 CO 0.49 -0.30 1.06 0.68 1.20 0.00 0.00 173.24 176.38 2yr3 s VAL 17 N 2.65 3.93 0.57 4.45 -7.23 -1.26 -2.39 120.40 121.12 2yr3 s VAL 17 Ca 0.14 0.63 -0.17 0.00 -1.81 0.00 0.00 61.98 60.76 2yr3 s VAL 17 Cb -0.14 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 2yr3 s VAL 17 CO -0.21 -0.82 1.08 -0.76 -0.31 0.00 0.00 175.10 174.08 2yr3 s LEU 18 N -5.49 3.61 0.07 1.32 1.43 -1.26 -4.95 118.68 113.40 2yr3 s LEU 18 Ca 0.58 1.96 0.05 0.00 -1.03 0.00 0.00 54.13 55.69 2yr3 s LEU 18 Cb -0.13 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.51 2yr3 s LEU 18 CO 0.54 -1.18 -0.15 -1.59 0.23 0.00 0.00 176.35 174.20 2yr3 s LYS 19 N -3.72 0.87 0.34 1.70 0.00 -1.26 -4.77 119.74 112.89 2yr3 s LYS 19 Ca 0.67 -0.94 -0.24 0.00 0.00 0.00 0.00 55.97 55.45 2yr3 s LYS 19 Cb -0.19 -0.90 -0.15 0.00 0.00 0.00 0.00 37.83 36.59 2yr3 s LYS 19 CO 0.32 0.21 0.45 -0.40 0.00 0.00 0.00 175.35 175.93 2yr3 n ASP 20 N 1.36 -1.35 -3.74 0.03 5.68 -1.26 -4.85 116.55 112.43 2yr3 n ASP 20 Ca -0.21 0.97 -0.10 0.00 -0.50 0.00 0.00 54.79 54.96 2yr3 n ASP 20 Cb 0.54 -1.02 -0.06 0.00 -1.14 0.00 0.00 41.12 39.44 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 -3.66 1.55 -0.01 0.00 0.00 -1.26 -2.45 121.76 115.94 2yr3 s ALA 22 Ca 0.03 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 2yr3 s ALA 22 Cb 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2yr3 s ALA 22 CO -0.10 0.34 0.11 0.54 0.00 0.00 0.00 175.76 176.65 2yr3 s VAL 23 N -0.77 0.07 0.18 0.00 0.11 -1.05 -5.01 120.40 113.92 2yr3 s VAL 23 Ca 0.06 -0.56 -0.26 0.00 -2.93 0.00 0.00 61.98 58.29 2yr3 s VAL 23 Cb -0.08 -0.35 -0.08 0.00 -1.53 0.00 0.00 36.38 34.34 2yr3 s VAL 23 CO 0.01 -0.31 0.81 -0.63 -3.33 0.00 0.00 175.10 171.66 2yr3 s ILE 24 N -1.04 4.32 -0.53 7.04 -1.09 -1.26 0.21 121.20 128.85 2yr3 s ILE 24 Ca -0.11 1.78 -0.29 0.00 -2.23 0.00 0.00 60.65 59.80 2yr3 s ILE 24 Cb -0.06 -4.18 -0.10 0.00 -1.58 0.00 0.00 42.46 36.53 2yr3 s ILE 24 CO 0.01 0.51 2.41 1.21 -1.23 0.00 0.00 174.94 177.85 2yr3 n GLU 25 N 1.63 0.95 0.00 2.79 2.13 -0.85 -0.10 120.64 127.19 2yr3 n GLU 25 Ca -0.05 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2yr3 n GLU 25 Cb 0.48 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.32 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 6.18 1.31 3.95 8.31 0.00 -0.99 -5.01 105.19 118.93 2yr3 n GLY 26 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.03 2.39 -0.10 1.61 -1.52 0.86 -4.55 119.66 118.32 2yr3 s GLN 27 Ca 0.00 -0.56 -0.02 0.00 -1.95 0.00 0.00 55.36 52.84 2yr3 s GLN 27 Cb 0.00 -2.35 -0.03 0.00 -0.22 0.00 0.00 33.01 30.41 2yr3 s GLN 27 CO 0.00 -0.95 -0.03 0.16 -0.25 0.00 0.00 175.29 174.22 2yr3 s ASP 28 N -4.47 4.91 -0.06 5.90 1.47 -1.26 -1.91 116.67 121.25 2yr3 s ASP 28 Ca 0.59 0.00 -0.03 0.00 1.18 0.00 0.00 52.55 54.29 2yr3 s ASP 28 Cb -0.10 -1.48 0.03 0.00 -0.34 0.00 0.00 42.92 41.03 2yr3 s ASP 28 CO 0.41 0.30 0.13 0.72 0.68 0.00 0.00 175.17 177.42 2yr3 s PHE 29 N -0.44 -0.14 -0.30 2.11 -0.12 -0.84 -5.04 117.98 113.21 2yr3 s PHE 29 Ca 0.07 0.42 0.03 0.00 -0.05 0.00 0.00 56.93 57.40 2yr3 s PHE 29 Cb -0.12 -0.07 0.08 0.00 -0.63 0.00 0.00 43.02 42.28 2yr3 s PHE 29 CO 0.02 -0.14 -0.01 0.54 -0.05 0.00 0.00 175.22 175.59 2yr3 s VAL 30 N 0.91 1.97 -0.43 -2.49 0.11 -1.26 -1.96 120.40 117.26 2yr3 s VAL 30 Ca -0.07 -1.85 -0.27 0.00 -2.93 0.00 0.00 61.98 56.86 2yr3 s VAL 30 Cb -0.09 -2.31 -0.04 0.00 -1.53 0.00 0.00 36.38 32.41 2yr3 s VAL 30 CO -0.04 -0.36 2.06 -0.76 -3.33 0.00 0.00 175.10 172.67 2yr3 s LEU 31 N 1.12 3.41 -0.11 2.54 1.43 -1.17 -4.72 118.68 121.17 2yr3 s LEU 31 Ca 0.02 1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 54.18 2yr3 s LEU 31 Cb -0.19 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2yr3 s LEU 31 CO -0.09 -2.26 0.07 -1.58 0.23 0.00 0.00 176.35 172.73 2yr3 s GLN 32 N 6.87 3.33 0.30 1.70 -0.44 -1.26 -2.37 119.66 127.79 2yr3 s GLN 32 Ca 0.85 -0.28 0.01 0.00 -2.50 0.00 0.00 55.36 53.44 2yr3 s GLN 32 Cb -0.20 -3.02 -0.00 0.00 -1.64 0.00 0.00 33.01 28.14 2yr3 s GLN 32 CO 0.28 0.67 0.38 0.00 0.50 0.00 0.00 175.29 177.13 2yr3 s SER 34 N -2.95 3.24 -0.13 0.00 0.01 -1.01 -2.81 113.70 110.06 2yr3 s SER 34 Ca 0.28 -0.54 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 2yr3 s SER 34 Cb -0.00 -1.46 0.06 0.00 0.21 0.00 0.00 66.02 64.84 2yr3 s SER 34 CO 0.20 0.13 0.27 0.54 0.41 0.00 0.00 173.24 174.79 2yr3 s VAL 35 N 0.53 -0.41 0.29 3.43 0.11 0.39 -2.15 120.40 122.60 2yr3 s VAL 35 Ca -0.13 0.27 0.07 0.00 -2.93 0.00 0.00 61.98 59.26 2yr3 s VAL 35 Cb -0.17 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.17 2yr3 s VAL 35 CO 0.04 0.11 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.73 2yr3 s ARG 36 N 2.36 1.61 0.00 1.54 0.52 -1.05 -4.29 118.95 119.64 2yr3 s ARG 36 Ca 0.00 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.39 2yr3 s ARG 36 Cb -0.12 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.09 2yr3 s ARG 36 CO -0.09 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.69 2yr3 n GLY 37 N -0.63 4.03 3.13 -3.53 0.00 -1.26 -2.16 105.19 104.77 2yr3 n GLY 37 Ca -0.05 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.20 1.94 0.34 2.61 2.01 -1.00 -2.87 115.64 117.47 2yr3 s THR 38 Ca 0.00 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 2yr3 s THR 38 Cb 0.00 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 70.86 2yr3 s THR 38 CO 0.00 0.52 0.30 -0.81 -0.69 0.00 0.00 174.62 173.94 2yr3 n PRO 39 N 4.28 -1.61 -2.00 4.92 -0.04 -1.26 -1.55 135.00 137.74 2yr3 n PRO 39 Ca -0.20 -0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 62.36 2yr3 n PRO 39 Cb 0.51 -0.45 -0.03 0.00 -0.04 0.00 0.00 33.50 33.49 2yr3 n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2yr3 s VAL 40 N -1.54 3.41 0.72 0.52 1.01 -1.14 -4.92 120.40 118.47 2yr3 s VAL 40 Ca 0.19 0.67 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 2yr3 s VAL 40 Cb -0.02 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.96 2yr3 s VAL 40 CO 0.15 -0.03 1.10 -2.16 0.00 0.00 0.00 175.10 174.15 2yr3 s PRO 41 N 3.42 2.50 -0.18 2.72 0.04 -1.26 -4.92 135.00 137.32 2yr3 s PRO 41 Ca 0.73 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 2yr3 s PRO 41 Cb -0.35 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 2yr3 s PRO 41 CO 0.30 -1.47 0.97 1.03 0.04 0.00 0.00 177.00 177.87 2yr3 s ARG 42 N -4.54 4.32 -0.48 4.56 3.00 -1.00 -4.85 118.95 119.95 2yr3 s ARG 42 Ca 0.64 1.26 -0.20 0.00 0.00 0.00 0.00 55.73 57.43 2yr3 s ARG 42 Cb -0.19 -3.59 0.04 0.00 0.00 0.00 0.00 34.95 31.21 2yr3 s ARG 42 CO 0.50 -0.45 0.62 0.42 0.00 0.00 0.00 175.30 176.39 2yr3 s ILE 43 N 2.54 4.87 -0.11 1.52 -1.09 -1.26 -3.68 121.20 124.00 2yr3 s ILE 43 Ca 0.43 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.58 2yr3 s ILE 43 Cb -0.16 -4.25 0.02 0.00 -1.58 0.00 0.00 42.46 36.48 2yr3 s ILE 43 CO 0.11 -0.71 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.11 2yr3 s THR 44 N 2.67 1.26 -0.22 2.92 2.01 -1.13 -4.99 115.64 118.16 2yr3 s THR 44 Ca 0.17 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 2yr3 s THR 44 Cb -0.17 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 2yr3 s THR 44 CO 0.14 0.40 0.23 0.26 -0.69 0.00 0.00 174.62 174.96 2yr3 s TRP 45 N 1.32 3.34 -0.09 4.92 0.52 -1.26 -1.43 118.94 126.25 2yr3 s TRP 45 Ca -0.01 0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.47 2yr3 s TRP 45 Cb -0.14 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 2yr3 s TRP 45 CO -0.05 0.07 -0.10 -0.51 0.02 0.00 0.00 176.95 176.37 2yr3 s LEU 46 N 1.06 2.93 -0.32 2.99 1.43 -0.55 -2.26 118.68 123.95 2yr3 s LEU 46 Ca 0.11 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2yr3 s LEU 46 Cb -0.14 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.52 2yr3 s LEU 46 CO 0.05 0.28 0.04 -0.22 0.23 0.00 0.00 176.35 176.72 2yr3 s LEU 47 N -0.30 4.29 -0.42 1.79 2.96 0.24 -1.36 118.68 125.87 2yr3 s LEU 47 Ca 0.03 -1.64 -0.03 0.00 -0.22 0.00 0.00 54.13 52.28 2yr3 s LEU 47 Cb -0.13 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2yr3 s LEU 47 CO 0.03 -0.33 0.34 0.59 -1.32 0.00 0.00 176.35 175.65 2yr3 n ASN 48 N 4.51 -3.28 0.00 3.68 3.02 -1.21 -3.35 115.26 118.62 2yr3 n ASN 48 Ca -0.07 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2yr3 n ASN 48 Cb 0.42 -1.88 0.00 0.00 -0.61 0.00 0.00 39.78 37.72 2yr3 n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yr3 n GLY 49 N -0.96 1.99 3.86 7.41 0.00 -1.26 -4.98 105.19 111.24 2yr3 n GLY 49 Ca -0.00 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 3.93 0.73 1.61 -2.07 -1.21 -4.98 119.66 117.66 2yr3 s GLN 50 Ca 0.00 0.46 -0.12 0.00 -1.82 0.00 0.00 55.36 53.88 2yr3 s GLN 50 Cb 0.00 -2.70 0.04 0.00 -1.09 0.00 0.00 33.01 29.26 2yr3 s GLN 50 CO 0.00 0.34 1.10 -1.25 -1.32 0.00 0.00 175.29 174.15 2yr3 s PRO 51 N -2.55 2.46 0.12 9.60 0.04 -1.26 0.81 135.00 144.22 2yr3 s PRO 51 Ca 0.46 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 2yr3 s PRO 51 Cb -0.12 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2yr3 s PRO 51 CO 0.20 -1.49 0.33 0.42 0.04 0.00 0.00 177.00 176.50 2yr3 s ILE 52 N -2.69 5.22 -0.19 0.56 1.01 -0.96 -4.66 121.20 119.49 2yr3 s ILE 52 Ca 0.63 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.18 2yr3 s ILE 52 Cb -0.18 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 2yr3 s ILE 52 CO 0.51 0.08 -0.21 0.00 0.00 0.00 0.00 174.94 175.31 2yr3 n GLN 53 N 0.19 0.43 -1.22 2.79 10.64 -1.26 -4.59 117.38 124.35 2yr3 n GLN 53 Ca -0.03 0.15 -0.25 0.00 -1.83 0.00 0.00 57.00 55.03 2yr3 n GLN 53 Cb 0.52 -1.26 0.02 0.00 -0.86 0.00 0.00 30.24 28.66 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 -3.53 2.03 -3.30 2.61 4.11 -1.26 -4.90 117.16 112.93 2yr3 n TYR 54 Ca -0.36 -2.22 -0.43 0.00 -0.00 0.00 0.00 57.90 54.90 2yr3 n TYR 54 Cb 0.80 -1.19 -0.09 0.00 -0.00 0.00 0.00 39.34 38.86 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 -2.40 3.42 -1.16 -3.48 0.00 -1.26 -4.98 121.76 111.89 2yr3 s ALA 55 Ca 0.47 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 2yr3 s ALA 55 Cb 0.35 -3.07 0.24 0.00 0.00 0.00 0.00 23.12 20.64 2yr3 s ALA 55 CO -0.10 -1.59 1.86 0.54 0.00 0.00 0.00 175.76 176.47 2yr3 n ARG 56 N 5.65 4.58 -2.66 0.00 1.74 -1.26 -5.00 116.66 119.70 2yr3 n ARG 56 Ca -0.07 -4.12 -0.32 0.00 -0.77 0.00 0.00 57.85 52.57 2yr3 n ARG 56 Cb 0.47 -2.62 -0.04 0.00 -1.02 0.00 0.00 32.46 29.26 2yr3 n ARG 56 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yr3 s SER 57 N -0.63 6.63 -0.12 0.55 0.15 -1.26 -3.63 113.70 115.39 2yr3 s SER 57 Ca 0.40 1.40 -0.04 0.00 0.70 0.00 0.00 55.95 58.41 2yr3 s SER 57 Cb 0.13 -2.43 0.06 0.00 -1.71 0.00 0.00 66.02 62.06 2yr3 s SER 57 CO -0.02 -0.47 0.16 0.42 1.20 0.00 0.00 173.24 174.54 2yr3 s THR 58 N -2.44 -0.25 -0.24 6.45 -4.23 -0.17 -4.98 115.64 109.77 2yr3 s THR 58 Ca 0.56 0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 61.14 2yr3 s THR 58 Cb -0.10 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.29 2yr3 s THR 58 CO 0.28 0.03 0.28 0.00 -0.54 0.00 0.00 174.62 174.68 2yr3 s GLU 60 N 1.50 1.37 -1.47 0.00 2.02 -1.01 -4.79 118.70 116.31 2yr3 s GLU 60 Ca 0.12 -0.27 -0.15 0.00 0.02 0.00 0.00 54.97 54.69 2yr3 s GLU 60 Cb -0.15 -1.26 0.13 0.00 0.10 0.00 0.00 34.13 32.95 2yr3 s GLU 60 CO 0.08 -0.07 0.62 0.00 0.02 0.00 0.00 175.26 175.90 2yr3 n ALA 61 N 4.15 -1.16 -2.23 5.21 0.00 -1.26 0.42 120.51 125.64 2yr3 n ALA 61 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 2yr3 n ALA 61 Cb 0.51 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 17.00 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 -1.22 0.31 2.85 0.00 0.00 -1.26 -4.96 105.19 100.91 2yr3 n GLY 62 Ca 0.05 -0.66 -0.30 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 -2.41 1.96 0.28 1.61 1.01 0.17 -0.46 120.40 122.55 2yr3 s VAL 63 Ca 0.03 -2.78 -0.29 0.00 0.00 0.00 0.00 61.98 58.93 2yr3 s VAL 63 Cb -0.01 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.89 2yr3 s VAL 63 CO 0.03 -0.81 1.24 0.00 0.00 0.00 0.00 175.10 175.56 2yr3 s ALA 64 N 0.22 3.47 -0.04 5.51 0.00 -1.12 -2.41 121.76 127.39 2yr3 s ALA 64 Ca 0.16 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 2yr3 s ALA 64 Cb -0.24 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.47 2yr3 s ALA 64 CO -0.02 -0.46 0.29 -1.21 0.00 0.00 0.00 175.76 174.36 2yr3 s GLU 65 N -1.22 0.58 -0.36 0.00 2.02 -1.12 -1.02 118.70 117.57 2yr3 s GLU 65 Ca 0.49 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.44 2yr3 s GLU 65 Cb -0.36 0.26 0.11 0.00 0.10 0.00 0.00 34.13 34.24 2yr3 s GLU 65 CO 0.45 -0.14 0.14 -1.17 0.02 0.00 0.00 175.26 174.56 2yr3 s LEU 66 N -0.97 2.93 -0.51 1.80 2.96 -1.00 -1.00 118.68 122.88 2yr3 s LEU 66 Ca -0.10 -2.10 -0.28 0.00 -0.22 0.00 0.00 54.13 51.43 2yr3 s LEU 66 Cb -0.05 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 2yr3 s LEU 66 CO 0.03 -0.36 1.64 -1.00 -1.32 0.00 0.00 176.35 175.34 2yr3 s HIS 67 N 1.02 1.99 -0.26 5.38 3.76 -1.24 -3.04 115.29 122.91 2yr3 s HIS 67 Ca 0.13 0.61 -0.04 0.00 -0.15 0.00 0.00 55.06 55.61 2yr3 s HIS 67 Cb -0.20 -4.23 0.01 0.00 1.11 0.00 0.00 32.58 29.27 2yr3 s HIS 67 CO -0.13 -2.31 -0.00 0.42 -0.85 0.00 0.00 174.74 171.87 2yr3 s ILE 68 N 7.11 3.40 0.29 0.60 -1.09 -0.83 -4.61 121.20 126.07 2yr3 s ILE 68 Ca 0.64 -0.79 0.06 0.00 -2.23 0.00 0.00 60.65 58.33 2yr3 s ILE 68 Cb -0.14 -2.70 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 2yr3 s ILE 68 CO 0.26 0.20 0.40 0.00 -1.23 0.00 0.00 174.94 174.57 2yr3 s GLN 69 N 1.42 3.24 -1.49 2.79 0.00 -1.26 -1.99 119.66 122.37 2yr3 s GLN 69 Ca 0.02 -0.91 -0.11 0.00 -0.00 0.00 0.00 55.36 54.36 2yr3 s GLN 69 Cb -0.16 -2.83 0.07 0.00 0.00 0.00 0.00 33.01 30.09 2yr3 s GLN 69 CO -0.02 0.24 0.95 -0.25 0.00 0.00 0.00 175.29 176.22 2yr3 n ASP 70 N -1.51 -4.34 -4.51 12.60 8.00 -1.25 -4.71 116.55 120.83 2yr3 n ASP 70 Ca -0.04 -0.77 -0.36 0.00 0.71 0.00 0.00 54.79 54.32 2yr3 n ASP 70 Cb 0.58 -3.97 -0.14 0.00 -0.02 0.00 0.00 41.12 37.57 2yr3 n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yr3 n ALA 71 N -4.65 0.52 -2.50 2.24 0.00 -0.80 -4.68 120.51 110.64 2yr3 n ALA 71 Ca -0.01 -0.54 -0.27 0.00 0.00 0.00 0.00 53.44 52.61 2yr3 n ALA 71 Cb 0.55 -2.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 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 8.45 3.95 0.00 0.00 1.43 -1.26 -2.36 118.68 128.89 2yr3 s LEU 72 Ca 1.26 0.70 0.15 0.00 -1.03 0.00 0.00 54.13 55.21 2yr3 s LEU 72 Cb -0.94 -3.56 0.79 0.00 0.03 0.00 0.00 46.19 42.51 2yr3 s LEU 72 CO 0.44 -0.31 1.40 -0.81 0.23 0.00 0.00 176.35 177.30 2yr3 n PRO 73 N -1.44 0.27 0.01 1.29 -0.04 -1.26 -1.94 135.00 131.88 2yr3 n PRO 73 Ca -0.02 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2yr3 n PRO 73 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.22 0.30 0.05 0.54 0.28 -1.26 -4.24 120.64 115.09 2yr3 n GLU 74 Ca 0.08 -0.06 -0.13 0.00 -0.16 0.00 0.00 57.16 56.89 2yr3 n GLU 74 Cb 0.10 -1.54 -0.14 0.00 1.43 0.00 0.00 31.44 31.30 2yr3 n GLU 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2yr3 h ASP 75 N 0.00 0.25 -1.71 -1.84 5.19 -1.79 -3.47 116.42 113.06 2yr3 h ASP 75 Ca 0.00 -0.33 -0.63 0.00 -0.62 0.00 0.00 57.03 55.44 2yr3 h ASP 75 Cb 0.73 -0.08 0.13 0.00 0.18 0.00 0.00 39.33 40.29 2yr3 h ASP 75 CO 0.00 1.28 -0.55 0.00 -3.12 0.00 0.00 179.24 176.85 2yr3 n HIS 76 N -3.38 -0.78 0.00 4.55 1.44 -1.23 -4.83 115.22 110.98 2yr3 n HIS 76 Ca -0.12 0.74 0.00 0.00 -2.01 0.00 0.00 57.72 56.33 2yr3 n HIS 76 Cb 1.02 -1.94 0.00 0.00 0.12 0.00 0.00 29.99 29.18 2yr3 n HIS 76 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2yr3 n GLY 77 N 1.96 -0.54 2.67 -1.39 0.00 -1.25 -5.03 105.19 101.61 2yr3 n GLY 77 Ca 0.13 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.62 -0.24 2.61 2.01 -1.26 -3.50 115.64 115.88 2yr3 s THR 78 Ca 0.00 -1.27 -0.29 0.00 0.31 0.00 0.00 61.69 60.44 2yr3 s THR 78 Cb 0.00 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 71.03 2yr3 s THR 78 CO 0.00 -0.71 1.20 -0.31 -0.69 0.00 0.00 174.62 174.11 2yr3 s TYR 79 N 1.69 2.95 -0.30 4.92 2.02 -1.20 -3.34 117.35 124.10 2yr3 s TYR 79 Ca 0.10 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 2yr3 s TYR 79 Cb -0.17 -3.60 0.06 0.00 -0.40 0.00 0.00 41.96 37.85 2yr3 s TYR 79 CO -0.27 -1.31 -0.02 0.99 -1.57 0.00 0.00 175.55 173.37 2yr3 s THR 80 N 3.70 2.67 -0.50 -0.71 2.01 -0.46 -2.57 115.64 119.78 2yr3 s THR 80 Ca 0.51 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.73 2yr3 s THR 80 Cb -0.17 -2.59 0.05 0.00 0.01 0.00 0.00 72.50 69.79 2yr3 s THR 80 CO 0.15 -0.15 0.70 0.00 -0.69 0.00 0.00 174.62 174.64 2yr3 s LEU 82 N 2.98 4.15 -0.32 0.00 2.96 -0.52 -3.00 118.68 124.93 2yr3 s LEU 82 Ca 0.20 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 2yr3 s LEU 82 Cb -0.16 -2.57 0.10 0.00 0.50 0.00 0.00 46.19 44.05 2yr3 s LEU 82 CO 0.15 -0.32 0.05 0.00 -1.32 0.00 0.00 176.35 174.91 2yr3 s ALA 83 N 2.27 2.42 0.10 5.97 0.00 -0.79 -2.85 121.76 128.88 2yr3 s ALA 83 Ca 0.19 -2.18 0.08 0.00 0.00 0.00 0.00 51.96 50.05 2yr3 s ALA 83 Cb -0.16 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2yr3 s ALA 83 CO 0.11 -1.63 -0.20 -1.83 0.00 0.00 0.00 175.76 172.21 2yr3 s GLU 84 N 1.15 1.07 0.18 0.00 -1.05 -1.25 -2.03 118.70 116.77 2yr3 s GLU 84 Ca 0.09 -1.13 0.04 0.00 -0.15 0.00 0.00 54.97 53.82 2yr3 s GLU 84 Cb -0.19 -1.28 -0.01 0.00 -0.44 0.00 0.00 34.13 32.21 2yr3 s GLU 84 CO -0.13 0.29 0.13 0.27 0.95 0.00 0.00 175.26 176.78 2yr3 n ASN 85 N 1.10 -0.07 0.29 0.83 0.23 -0.09 -2.37 115.26 115.19 2yr3 n ASN 85 Ca -0.20 -2.15 0.20 0.00 -0.53 0.00 0.00 54.58 51.90 2yr3 n ASN 85 Cb 0.54 0.81 0.97 0.00 -2.08 0.00 0.00 39.78 40.02 2yr3 n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yr3 h ALA 86 N 1.52 1.00 -1.29 -2.53 0.00 -1.91 -3.29 119.26 112.77 2yr3 h ALA 86 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2yr3 h ALA 86 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2yr3 h ALA 86 CO 0.20 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2yr3 n LEU 87 N -2.94 0.90 0.00 0.00 7.99 -1.26 -5.07 117.00 116.61 2yr3 n LEU 87 Ca -0.02 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 2yr3 n LEU 87 Cb 0.14 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 2yr3 n LEU 87 CO 0.21 -0.29 0.00 0.61 -1.51 0.00 0.00 177.39 176.41 2yr3 n GLY 88 N 2.13 6.47 3.59 -0.72 0.00 -1.24 -4.97 105.19 110.44 2yr3 n GLY 88 Ca 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 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 0.53 0.63 0.15 1.61 -2.07 -1.26 -0.91 119.66 118.35 2yr3 s GLN 89 Ca 0.00 1.23 0.04 0.00 -1.82 0.00 0.00 55.36 54.81 2yr3 s GLN 89 Cb 0.00 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 2yr3 s GLN 89 CO 0.00 -0.17 -0.09 0.14 -1.32 0.00 0.00 175.29 173.85 2yr3 s VAL 90 N 1.94 1.15 -0.14 3.63 -7.23 -0.86 -4.98 120.40 113.91 2yr3 s VAL 90 Ca -0.09 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 57.90 2yr3 s VAL 90 Cb -0.07 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 35.02 2yr3 s VAL 90 CO -0.19 -0.71 0.37 -0.94 -0.31 0.00 0.00 175.10 173.32 2yr3 s SER 91 N -3.18 -0.39 0.21 4.85 1.04 -1.26 -1.89 113.70 113.07 2yr3 s SER 91 Ca 0.18 0.75 0.03 0.00 0.48 0.00 0.00 55.95 57.39 2yr3 s SER 91 Cb 0.03 0.74 -0.05 0.00 0.10 0.00 0.00 66.02 66.84 2yr3 s SER 91 CO 0.01 -0.14 -0.02 0.00 0.98 0.00 0.00 173.24 174.08 2yr3 s SER 93 N -3.26 -0.12 -0.04 0.00 0.15 -1.26 -2.34 113.70 106.83 2yr3 s SER 93 Ca 0.26 -0.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.71 2yr3 s SER 93 Cb 0.05 0.33 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 2yr3 s SER 93 CO 0.07 -0.54 0.19 0.00 1.20 0.00 0.00 173.24 174.15 2yr3 s ALA 94 N -2.09 -0.46 -0.19 5.45 0.00 -1.06 -4.78 121.76 118.64 2yr3 s ALA 94 Ca -0.08 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.94 2yr3 s ALA 94 Cb -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2yr3 s ALA 94 CO -0.01 -0.16 0.47 -0.46 0.00 0.00 0.00 175.76 175.60 2yr3 s TRP 95 N -0.69 3.39 -0.04 0.00 -0.11 -1.26 -3.21 118.94 117.02 2yr3 s TRP 95 Ca -0.08 0.73 0.07 0.00 1.22 0.00 0.00 56.10 58.04 2yr3 s TRP 95 Cb -0.05 -2.60 -0.02 0.00 -1.50 0.00 0.00 33.47 29.31 2yr3 s TRP 95 CO 0.01 -0.03 -0.24 0.08 -4.62 0.00 0.00 176.95 172.15 2yr3 s VAL 96 N 1.38 2.19 -0.04 5.86 1.01 -1.23 -3.42 120.40 126.15 2yr3 s VAL 96 Ca 0.22 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2yr3 s VAL 96 Cb -0.15 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 2yr3 s VAL 96 CO 0.09 0.58 -0.15 -0.89 0.00 0.00 0.00 175.10 174.72 2yr3 s THR 97 N -0.47 1.31 -0.23 3.92 2.01 -1.02 -3.97 115.64 117.19 2yr3 s THR 97 Ca 0.06 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 2yr3 s THR 97 Cb -0.11 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 2yr3 s THR 97 CO 0.01 0.38 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 2yr3 s VAL 98 N 0.13 3.57 -2.00 3.82 1.01 -1.26 -2.52 120.40 123.15 2yr3 s VAL 98 Ca -0.05 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2yr3 s VAL 98 Cb -0.12 -2.65 0.12 0.00 0.00 0.00 0.00 36.38 33.73 2yr3 s VAL 98 CO 0.02 0.38 0.73 1.41 0.00 0.00 0.00 175.10 177.64