#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr3 n SER 2 N 0.00 0.07 -0.29 1.61 7.64 -1.26 -4.80 113.62 116.59 2cr3 n SER 2 Ca 0.00 -1.11 -0.05 0.00 1.01 0.00 0.00 58.87 58.72 2cr3 n SER 2 Cb 0.00 -1.37 0.07 0.00 -1.01 0.00 0.00 64.21 61.89 2cr3 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2cr3 h SER 3 N -1.50 0.98 0.00 6.43 0.87 -2.11 -3.47 113.55 114.76 2cr3 h SER 3 Ca -0.58 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2cr3 h SER 3 Cb 1.21 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2cr3 h SER 3 CO 0.59 0.80 0.00 0.61 -0.53 0.00 0.00 176.83 178.29 2cr3 n GLY 4 N -1.10 0.31 3.29 5.77 0.00 -1.26 -5.14 105.19 107.06 2cr3 n GLY 4 Ca 0.07 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 2cr3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr3 s SER 5 N 1.76 3.47 -0.62 1.61 0.01 -1.26 -5.08 113.70 113.59 2cr3 s SER 5 Ca 0.00 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.68 2cr3 s SER 5 Cb 0.00 -1.37 0.16 0.00 0.21 0.00 0.00 66.02 65.01 2cr3 s SER 5 CO 0.00 0.18 0.54 -0.55 0.41 0.00 0.00 173.24 173.83 2cr3 s SER 6 N 0.21 6.19 -0.30 2.44 0.15 -1.26 -4.94 113.70 116.20 2cr3 s SER 6 Ca -0.12 -2.16 -0.14 0.00 0.70 0.00 0.00 55.95 54.23 2cr3 s SER 6 Cb -0.16 -2.14 0.18 0.00 -1.71 0.00 0.00 66.02 62.18 2cr3 s SER 6 CO 0.07 -0.71 1.11 -0.83 1.20 0.00 0.00 173.24 174.08 2cr3 s GLY 7 N 2.78 -0.73 0.36 9.45 0.00 -1.26 -5.18 107.32 112.74 2cr3 s GLY 7 Ca 0.09 2.40 0.05 0.00 0.00 0.00 0.00 44.72 47.26 2cr3 s GLY 7 CO -0.02 4.10 0.04 -1.34 0.00 0.00 0.00 173.10 175.88 2cr3 s VAL 8 N 2.97 1.45 -0.36 1.40 -7.23 -1.26 -5.12 120.40 112.26 2cr3 s VAL 8 Ca 0.21 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 2cr3 s VAL 8 Cb -0.03 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 2cr3 s VAL 8 CO -0.19 0.00 0.45 -1.83 -0.31 0.00 0.00 175.10 173.22 2cr3 s GLU 9 N -3.83 3.53 -0.60 4.82 -1.05 -1.26 -5.02 118.70 115.29 2cr3 s GLU 9 Ca 0.35 -0.33 -0.05 0.00 -0.15 0.00 0.00 54.97 54.80 2cr3 s GLU 9 Cb 0.09 -3.83 0.16 0.00 -0.44 0.00 0.00 34.13 30.11 2cr3 s GLU 9 CO 0.16 -0.63 0.43 0.08 0.95 0.00 0.00 175.26 176.25 2cr3 s VAL 10 N 2.23 3.92 -0.08 1.83 1.01 -1.26 -3.42 120.40 124.63 2cr3 s VAL 10 Ca 0.15 -2.64 -0.29 0.00 0.00 0.00 0.00 61.98 59.20 2cr3 s VAL 10 Cb -0.16 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2cr3 s VAL 10 CO 0.13 -0.86 2.09 1.21 0.00 0.00 0.00 175.10 177.67 2cr3 n GLU 11 N 3.86 2.43 -3.08 2.72 2.13 -0.92 -4.58 120.64 123.20 2cr3 n GLU 11 Ca 0.05 0.81 -0.33 0.00 0.66 0.00 0.00 57.16 58.35 2cr3 n GLU 11 Cb 0.40 -3.10 -0.06 0.00 0.27 0.00 0.00 31.44 28.94 2cr3 n GLU 11 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2cr3 s SER 12 N 6.22 6.83 0.19 4.31 0.15 -1.26 1.00 113.70 131.13 2cr3 s SER 12 Ca 0.95 1.36 -0.03 0.00 0.70 0.00 0.00 55.95 58.93 2cr3 s SER 12 Cb -0.40 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.47 2cr3 s SER 12 CO 0.39 -0.21 0.16 -0.36 1.20 0.00 0.00 173.24 174.43 2cr3 s PHE 13 N -1.98 0.94 -0.23 3.44 0.40 0.52 -4.85 117.98 116.23 2cr3 s PHE 13 Ca 0.54 -1.22 -0.12 0.00 -0.60 0.00 0.00 56.93 55.53 2cr3 s PHE 13 Cb -0.11 -0.42 0.08 0.00 0.51 0.00 0.00 43.02 43.08 2cr3 s PHE 13 CO 0.17 -0.66 0.54 -1.17 0.70 0.00 0.00 175.22 174.81 2cr3 s LEU 14 N -3.10 -0.59 0.00 -0.37 1.98 -1.26 -3.53 118.68 111.81 2cr3 s LEU 14 Ca 0.32 1.21 -0.02 0.00 -2.89 0.00 0.00 54.13 52.75 2cr3 s LEU 14 Cb 0.06 1.85 0.01 0.00 0.66 0.00 0.00 46.19 48.77 2cr3 s LEU 14 CO 0.08 -0.22 0.28 1.33 -1.89 0.00 0.00 176.35 175.93 2cr3 n VAL 15 N 4.52 0.00 -4.37 1.68 0.24 0.73 -4.95 118.33 116.18 2cr3 n VAL 15 Ca -0.19 -0.86 -0.19 0.00 -2.04 0.00 0.00 64.34 61.06 2cr3 n VAL 15 Cb 0.56 0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 33.38 2cr3 n VAL 15 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2cr3 s HIS 16 N -4.18 1.71 -0.66 6.34 -3.43 -1.25 0.06 115.29 113.87 2cr3 s HIS 16 Ca 0.14 -1.10 -0.26 0.00 -0.80 0.00 0.00 55.06 53.04 2cr3 s HIS 16 Cb -0.01 -1.05 -0.03 0.00 -1.43 0.00 0.00 32.58 30.06 2cr3 s HIS 16 CO 0.10 -0.20 1.88 -1.25 -2.00 0.00 0.00 174.74 173.27 2cr3 s PRO 17 N -3.97 2.61 0.00 -0.38 0.04 -1.26 -2.29 135.00 129.75 2cr3 s PRO 17 Ca 0.37 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2cr3 s PRO 17 Cb 0.08 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2cr3 s PRO 17 CO 0.14 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.74 2cr3 n GLY 18 N 5.91 0.98 1.59 0.56 0.00 0.70 -4.92 105.19 110.01 2cr3 n GLY 18 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 2cr3 n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cr3 n ASP 19 N 0.00 0.22 -4.27 1.61 9.92 -0.97 -3.89 116.55 119.17 2cr3 n ASP 19 Ca 0.00 -1.29 -0.37 0.00 -0.53 0.00 0.00 54.79 52.59 2cr3 n ASP 19 Cb 0.00 -0.36 -0.13 0.00 -0.64 0.00 0.00 41.12 39.99 2cr3 n ASP 19 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2cr3 s LEU 20 N 0.00 4.25 -0.49 0.64 2.96 -1.26 -0.42 118.68 124.35 2cr3 s LEU 20 Ca 0.30 -1.13 -0.26 0.00 -0.22 0.00 0.00 54.13 52.82 2cr3 s LEU 20 Cb -0.01 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.86 2cr3 s LEU 20 CO 0.20 -0.31 0.99 -0.22 -1.32 0.00 0.00 176.35 175.69 2cr3 s LEU 21 N 1.39 3.91 -0.12 -0.68 2.96 -0.15 -4.89 118.68 121.11 2cr3 s LEU 21 Ca -0.02 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2cr3 s LEU 21 Cb -0.19 -3.17 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 2cr3 s LEU 21 CO 0.02 -1.16 -0.13 -1.10 -1.32 0.00 0.00 176.35 172.66 2cr3 s GLN 22 N 4.02 3.24 0.28 1.98 -0.21 -1.25 -0.46 119.66 127.25 2cr3 s GLN 22 Ca 0.38 -0.69 0.07 0.00 0.02 0.00 0.00 55.36 55.14 2cr3 s GLN 22 Cb -0.10 -2.58 -0.06 0.00 1.00 0.00 0.00 33.01 31.27 2cr3 s GLN 22 CO 0.26 0.28 -0.07 -0.51 -2.12 0.00 0.00 175.29 173.12 2cr3 s LEU 23 N 0.17 2.52 -0.03 2.90 1.43 0.98 -4.95 118.68 121.69 2cr3 s LEU 23 Ca -0.08 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 51.83 2cr3 s LEU 23 Cb -0.15 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.39 2cr3 s LEU 23 CO 0.05 -0.30 0.08 -0.60 0.23 0.00 0.00 176.35 175.81 2cr3 s ARG 24 N -3.70 0.08 -0.20 1.70 3.52 -1.26 -2.59 118.95 116.49 2cr3 s ARG 24 Ca 0.29 0.15 -0.03 0.00 -0.13 0.00 0.00 55.73 56.01 2cr3 s ARG 24 Cb 0.03 -0.01 -0.00 0.00 -1.56 0.00 0.00 34.95 33.40 2cr3 s ARG 24 CO 0.12 -0.05 -0.08 0.00 -0.81 0.00 0.00 175.30 174.49 2cr3 s ARG 26 N 1.32 3.50 0.41 0.00 1.70 -1.26 -4.90 118.95 119.72 2cr3 s ARG 26 Ca 0.04 1.82 0.06 0.00 -0.47 0.00 0.00 55.73 57.18 2cr3 s ARG 26 Cb -0.14 -4.20 0.07 0.00 -0.57 0.00 0.00 34.95 30.11 2cr3 s ARG 26 CO -0.04 -1.67 0.57 1.28 -1.08 0.00 0.00 175.30 174.36 2cr3 n LEU 27 N 9.87 0.00 0.00 -1.89 4.77 -1.26 -4.99 117.00 123.50 2cr3 n LEU 27 Ca 0.23 -1.70 -0.19 0.00 -0.03 0.00 0.00 56.01 54.32 2cr3 n LEU 27 Cb 0.45 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2cr3 n LEU 27 CO 0.67 -0.67 -0.10 0.54 -1.33 0.00 0.00 177.39 176.50 2cr3 n ARG 28 N -1.92 0.43 0.00 3.23 1.74 -1.26 -5.03 116.66 113.85 2cr3 n ARG 28 Ca 0.11 -3.08 0.14 0.00 -0.77 0.00 0.00 57.85 54.25 2cr3 n ARG 28 Cb 0.41 2.33 0.59 0.00 -1.02 0.00 0.00 32.46 34.77 2cr3 n ARG 28 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2cr3 n ASP 29 N -1.74 0.86 -0.03 0.55 9.92 -1.26 -3.81 116.55 121.03 2cr3 n ASP 29 Ca 0.04 -1.01 -0.02 0.00 -0.53 0.00 0.00 54.79 53.27 2cr3 n ASP 29 Cb 0.56 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.98 2cr3 n ASP 29 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2cr3 n ASP 30 N -0.52 3.28 -3.15 -2.24 8.00 -1.26 -5.05 116.55 115.60 2cr3 n ASP 30 Ca 0.17 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.35 2cr3 n ASP 30 Cb 0.29 0.77 -0.01 0.00 -0.02 0.00 0.00 41.12 42.16 2cr3 n ASP 30 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2cr3 n VAL 31 N -2.18 0.69 -0.01 2.53 0.31 -1.25 -4.49 118.33 113.93 2cr3 n VAL 31 Ca -0.10 -0.37 -0.01 0.00 -0.01 0.00 0.00 64.34 63.86 2cr3 n VAL 31 Cb 0.65 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.57 2cr3 n VAL 31 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cr3 n GLN 32 N 0.92 2.25 -4.01 5.55 1.13 0.22 -4.94 117.38 118.50 2cr3 n GLN 32 Ca 0.09 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.03 2cr3 n GLN 32 Cb 0.27 -1.03 -0.02 0.00 0.11 0.00 0.00 30.24 29.56 2cr3 n GLN 32 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2cr3 s SER 33 N -3.57 0.67 -0.01 1.08 0.15 -1.19 -4.97 113.70 105.86 2cr3 s SER 33 Ca -0.01 -1.39 -0.01 0.00 0.70 0.00 0.00 55.95 55.23 2cr3 s SER 33 Cb 0.00 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2cr3 s SER 33 CO 0.05 -1.41 0.03 -0.63 1.20 0.00 0.00 173.24 172.47 2cr3 s ILE 34 N -2.83 -0.00 -0.25 6.45 1.01 -1.26 -2.27 121.20 122.04 2cr3 s ILE 34 Ca 0.26 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.94 2cr3 s ILE 34 Cb -0.02 -0.06 0.06 0.00 0.01 0.00 0.00 42.46 42.46 2cr3 s ILE 34 CO 0.18 0.01 -0.04 0.21 0.00 0.00 0.00 174.94 175.29 2cr3 s ASN 35 N 0.08 4.00 0.16 3.58 2.47 0.29 -4.92 114.94 120.60 2cr3 s ASN 35 Ca -0.01 -1.30 -0.26 0.00 0.42 0.00 0.00 52.86 51.72 2cr3 s ASN 35 Cb -0.01 -1.24 -0.08 0.00 -1.45 0.00 0.00 41.25 38.47 2cr3 s ASN 35 CO -0.00 -0.25 0.81 0.26 -3.72 0.00 0.00 177.10 174.19 2cr3 s TRP 36 N 1.34 3.90 0.15 0.43 0.52 -1.26 -0.06 118.94 123.96 2cr3 s TRP 36 Ca -0.04 1.66 0.00 0.00 0.02 0.00 0.00 56.10 57.75 2cr3 s TRP 36 Cb -0.19 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 2cr3 s TRP 36 CO -0.07 0.47 0.03 -0.51 0.02 0.00 0.00 176.95 176.89 2cr3 s LEU 37 N -0.98 1.95 -0.22 2.99 1.43 0.21 -1.12 118.68 122.93 2cr3 s LEU 37 Ca 0.37 -1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 2cr3 s LEU 37 Cb -0.23 0.12 0.11 0.00 0.03 0.00 0.00 46.19 46.22 2cr3 s LEU 37 CO 0.27 -0.65 0.43 -0.60 0.23 0.00 0.00 176.35 176.03 2cr3 s ARG 38 N -3.98 0.36 -1.93 1.70 3.52 0.18 -1.32 118.95 117.49 2cr3 s ARG 38 Ca 0.24 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 2cr3 s ARG 38 Cb 0.07 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 2cr3 s ARG 38 CO 0.03 -0.39 0.00 -3.47 -0.81 0.00 0.00 175.30 170.66 2cr3 n ASP 39 N 5.39 -5.72 -0.54 -2.12 2.03 -0.53 -2.40 116.55 112.65 2cr3 n ASP 39 Ca -0.07 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2cr3 n ASP 39 Cb 0.50 -4.84 0.00 0.00 -0.72 0.00 0.00 41.12 36.05 2cr3 n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cr3 n GLY 40 N -0.79 0.78 3.56 0.27 0.00 -1.26 -5.05 105.19 102.69 2cr3 n GLY 40 Ca -0.23 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 2cr3 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr3 s VAL 41 N -2.72 0.00 0.13 1.61 0.11 -1.01 -5.13 120.40 113.38 2cr3 s VAL 41 Ca 0.00 0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 58.71 2cr3 s VAL 41 Cb 0.00 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.71 2cr3 s VAL 41 CO 0.00 0.00 1.59 1.67 -3.33 0.00 0.00 175.10 175.03 2cr3 n GLN 42 N 1.53 2.07 -2.84 1.54 -0.06 -1.26 0.52 117.38 118.87 2cr3 n GLN 42 Ca -0.17 0.75 -0.34 0.00 -2.00 0.00 0.00 57.00 55.24 2cr3 n GLN 42 Cb 0.56 -2.51 -0.07 0.00 -4.06 0.00 0.00 30.24 24.16 2cr3 n GLN 42 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2cr3 s LEU 43 N 1.20 4.08 0.08 1.69 2.96 -0.27 -4.75 118.68 123.67 2cr3 s LEU 43 Ca 0.81 1.69 0.06 0.00 -0.22 0.00 0.00 54.13 56.47 2cr3 s LEU 43 Cb -0.70 -4.32 -0.03 0.00 0.50 0.00 0.00 46.19 41.63 2cr3 s LEU 43 CO 0.40 -0.25 -0.16 0.00 -1.32 0.00 0.00 176.35 175.02 2cr3 s ALA 44 N -1.98 1.34 0.27 5.97 0.00 -1.26 -4.91 121.76 121.19 2cr3 s ALA 44 Ca 0.57 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2cr3 s ALA 44 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2cr3 s ALA 44 CO 0.17 0.21 0.48 -1.21 0.00 0.00 0.00 175.76 175.41 2cr3 s GLU 45 N -1.81 3.53 0.34 0.00 2.02 -1.26 -4.90 118.70 116.61 2cr3 s GLU 45 Ca 0.00 -0.28 -0.08 0.00 0.02 0.00 0.00 54.97 54.63 2cr3 s GLU 45 Cb -0.10 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.41 2cr3 s GLU 45 CO 0.03 0.27 0.56 0.45 0.02 0.00 0.00 175.26 176.60 2cr3 s SER 46 N -3.50 0.49 0.56 -0.19 0.15 -0.27 -4.92 113.70 106.02 2cr3 s SER 46 Ca 0.40 -1.29 0.47 0.00 0.70 0.00 0.00 55.95 56.22 2cr3 s SER 46 Cb -0.10 0.70 1.63 0.00 -1.71 0.00 0.00 66.02 66.54 2cr3 s SER 46 CO 0.32 -1.38 1.56 -0.55 1.20 0.00 0.00 173.24 174.38 2cr3 h ASN 47 N 2.10 0.00 0.00 5.45 -1.07 -2.00 -1.93 115.58 118.13 2cr3 h ASN 47 Ca -0.29 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 55.97 2cr3 h ASN 47 Cb 1.24 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.48 2cr3 h ASN 47 CO 0.38 0.00 -1.33 0.54 0.07 0.00 0.00 177.43 177.09 2cr3 n ARG 48 N -3.87 0.51 -2.15 4.14 1.74 -1.26 -4.87 116.66 110.90 2cr3 n ARG 48 Ca 0.40 0.21 -0.40 0.00 -0.77 0.00 0.00 57.85 57.29 2cr3 n ARG 48 Cb 1.90 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 2cr3 n ARG 48 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2cr3 s THR 49 N -2.75 2.80 -0.15 0.55 2.01 -0.73 -2.04 115.64 115.33 2cr3 s THR 49 Ca -0.30 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 62.43 2cr3 s THR 49 Cb 0.06 -3.47 0.07 0.00 0.01 0.00 0.00 72.50 69.17 2cr3 s THR 49 CO 0.42 0.15 0.18 -0.60 -0.69 0.00 0.00 174.62 174.08 2cr3 s ARG 50 N -1.95 0.11 -0.45 4.92 6.06 0.44 -1.12 118.95 126.97 2cr3 s ARG 50 Ca 0.52 0.32 -0.15 0.00 -2.50 0.00 0.00 55.73 53.92 2cr3 s ARG 50 Cb -0.38 -0.89 0.06 0.00 0.06 0.00 0.00 34.95 33.80 2cr3 s ARG 50 CO 0.49 -0.51 0.35 0.42 -2.50 0.00 0.00 175.30 173.56 2cr3 s ILE 51 N 2.29 5.15 -1.31 4.11 1.01 -1.26 -0.29 121.20 130.90 2cr3 s ILE 51 Ca 0.04 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 59.82 2cr3 s ILE 51 Cb -0.14 -4.02 0.39 0.00 0.01 0.00 0.00 42.46 38.70 2cr3 s ILE 51 CO -0.09 -0.49 1.23 0.35 0.00 0.00 0.00 174.94 175.94 2cr3 n THR 52 N 5.17 0.99 0.00 2.92 -2.24 -0.14 -4.94 114.28 116.03 2cr3 n THR 52 Ca -0.12 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2cr3 n THR 52 Cb 0.45 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2cr3 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cr3 n GLY 53 N 0.73 2.11 0.28 3.38 0.00 -1.26 -4.55 105.19 105.88 2cr3 n GLY 53 Ca 0.14 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.48 2cr3 n GLY 53 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr3 n GLU 54 N 0.00 0.26 -4.10 1.61 0.28 -1.26 -4.79 120.64 112.63 2cr3 n GLU 54 Ca 0.00 -1.00 -0.21 0.00 -0.16 0.00 0.00 57.16 55.79 2cr3 n GLU 54 Cb 0.00 -1.13 -0.17 0.00 1.43 0.00 0.00 31.44 31.57 2cr3 n GLU 54 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2cr3 s GLU 55 N -0.60 0.88 -0.15 3.44 2.02 -1.26 0.13 118.70 123.16 2cr3 s GLU 55 Ca 0.08 -0.09 -0.04 0.00 0.02 0.00 0.00 54.97 54.94 2cr3 s GLU 55 Cb 0.06 -0.94 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 2cr3 s GLU 55 CO 0.08 -0.13 -0.04 0.08 0.02 0.00 0.00 175.26 175.28 2cr3 s VAL 56 N 1.14 3.90 -0.12 2.63 1.01 -1.07 -0.97 120.40 126.92 2cr3 s VAL 56 Ca -0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2cr3 s VAL 56 Cb -0.14 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2cr3 s VAL 56 CO -0.01 0.50 -0.10 -0.70 0.00 0.00 0.00 175.10 174.79 2cr3 s GLU 57 N 0.33 1.77 -0.21 2.72 2.12 0.61 -0.01 118.70 126.01 2cr3 s GLU 57 Ca -0.04 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 54.96 2cr3 s GLU 57 Cb -0.14 -1.74 0.04 0.00 0.26 0.00 0.00 34.13 32.55 2cr3 s GLU 57 CO 0.03 -0.24 -0.14 0.08 -0.54 0.00 0.00 175.26 174.44 2cr3 s VAL 58 N 1.60 1.99 0.40 3.70 1.01 0.39 0.17 120.40 129.65 2cr3 s VAL 58 Ca 0.04 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.59 2cr3 s VAL 58 Cb -0.13 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 34.19 2cr3 s VAL 58 CO -0.08 0.25 1.00 -1.10 0.00 0.00 0.00 175.10 175.17 2cr3 s GLN 59 N 1.25 4.23 -1.52 2.72 -0.21 -0.87 -0.98 119.66 124.29 2cr3 s GLN 59 Ca -0.01 1.35 -0.09 0.00 0.02 0.00 0.00 55.36 56.63 2cr3 s GLN 59 Cb -0.16 -2.46 0.07 0.00 1.00 0.00 0.00 33.01 31.46 2cr3 s GLN 59 CO -0.09 -0.05 0.72 -3.47 -2.12 0.00 0.00 175.29 170.28 2cr3 n ASP 60 N -0.18 -2.57 -4.02 5.90 2.03 -0.38 -4.77 116.55 112.57 2cr3 n ASP 60 Ca 0.05 -0.92 -0.36 0.00 0.52 0.00 0.00 54.79 54.08 2cr3 n ASP 60 Cb 0.51 -3.34 0.04 0.00 -0.72 0.00 0.00 41.12 37.62 2cr3 n ASP 60 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2cr3 n SER 61 N -2.86 -5.37 -3.94 1.67 3.41 0.44 -3.82 113.62 103.15 2cr3 n SER 61 Ca -0.10 0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 2cr3 n SER 61 Cb 0.58 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 2cr3 n SER 61 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2cr3 s VAL 62 N -2.02 0.14 -2.00 -3.33 -7.23 -1.26 -0.21 120.40 104.49 2cr3 s VAL 62 Ca 0.40 -1.39 0.13 0.00 -1.81 0.00 0.00 61.98 59.32 2cr3 s VAL 62 Cb -0.13 -1.53 0.38 0.00 0.56 0.00 0.00 36.38 35.65 2cr3 s VAL 62 CO 0.79 -0.62 1.21 -0.81 -0.31 0.00 0.00 175.10 175.36 2cr3 n PRO 63 N -0.07 0.49 -0.01 4.82 -0.04 -1.22 -1.94 135.00 137.04 2cr3 n PRO 63 Ca -0.12 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.43 2cr3 n PRO 63 Cb 0.62 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 2cr3 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cr3 n ALA 64 N -0.92 3.35 0.01 0.55 0.00 -1.26 -4.35 120.51 117.89 2cr3 n ALA 64 Ca 0.10 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.05 2cr3 n ALA 64 Cb 0.05 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 2cr3 n ALA 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2cr3 n ASP 65 N -1.92 0.62 -3.86 0.00 8.00 -0.82 -4.96 116.55 113.61 2cr3 n ASP 65 Ca -0.01 0.27 -0.23 0.00 0.71 0.00 0.00 54.79 55.53 2cr3 n ASP 65 Cb 0.44 0.54 0.12 0.00 -0.02 0.00 0.00 41.12 42.19 2cr3 n ASP 65 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2cr3 n SER 66 N -2.77 -2.73 0.00 -2.24 7.64 -1.19 -4.92 113.62 107.41 2cr3 n SER 66 Ca -0.12 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2cr3 n SER 66 Cb 0.83 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2cr3 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr3 n GLY 67 N 2.59 0.47 2.98 0.23 0.00 -1.18 -5.01 105.19 105.27 2cr3 n GLY 67 Ca 0.02 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 2cr3 n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cr3 s LEU 68 N 0.00 4.39 0.16 0.99 2.96 -1.26 -1.58 118.68 124.33 2cr3 s LEU 68 Ca 0.00 -2.08 -0.28 0.00 -0.22 0.00 0.00 54.13 51.55 2cr3 s LEU 68 Cb 0.00 -1.51 -0.07 0.00 0.50 0.00 0.00 46.19 45.10 2cr3 s LEU 68 CO 0.00 -0.38 0.87 -0.31 -1.32 0.00 0.00 176.35 175.20 2cr3 s TYR 69 N 1.01 3.89 -0.10 5.38 1.51 -0.55 -1.46 117.35 127.03 2cr3 s TYR 69 Ca 0.11 1.74 -0.02 0.00 -1.01 0.00 0.00 57.07 57.89 2cr3 s TYR 69 Cb -0.19 -2.91 0.03 0.00 -0.11 0.00 0.00 41.96 38.79 2cr3 s TYR 69 CO -0.11 0.39 0.01 0.00 -1.11 0.00 0.00 175.55 174.74 2cr3 s ALA 70 N -0.73 0.75 -0.22 3.71 0.00 -0.43 0.82 121.76 125.65 2cr3 s ALA 70 Ca 0.40 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 2cr3 s ALA 70 Cb -0.24 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 2cr3 s ALA 70 CO 0.28 -0.61 0.20 0.00 0.00 0.00 0.00 175.76 175.63 2cr3 s VAL 72 N 0.88 2.80 -0.19 0.00 1.01 0.92 -1.08 120.40 124.75 2cr3 s VAL 72 Ca 0.10 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 2cr3 s VAL 72 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2cr3 s VAL 72 CO 0.03 0.27 0.08 0.42 0.00 0.00 0.00 175.10 175.90 2cr3 s THR 73 N 1.33 4.91 -0.21 3.92 -4.23 -1.13 0.10 115.64 120.33 2cr3 s THR 73 Ca 0.01 0.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.34 2cr3 s THR 73 Cb -0.16 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 2cr3 s THR 73 CO -0.06 0.45 0.55 -0.55 -0.54 0.00 0.00 174.62 174.47 2cr3 s SER 74 N 0.40 6.57 0.07 3.99 0.15 -0.96 -1.90 113.70 122.01 2cr3 s SER 74 Ca 0.04 0.69 0.04 0.00 0.70 0.00 0.00 55.95 57.41 2cr3 s SER 74 Cb -0.12 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.85 2cr3 s SER 74 CO -0.00 -0.23 -0.11 -0.94 1.20 0.00 0.00 173.24 173.16 2cr3 s SER 75 N 1.24 1.31 0.00 5.45 1.04 -1.26 0.72 113.70 122.19 2cr3 s SER 75 Ca 0.25 -0.64 0.15 0.00 0.48 0.00 0.00 55.95 56.18 2cr3 s SER 75 Cb -0.16 -0.00 0.87 0.00 0.10 0.00 0.00 66.02 66.84 2cr3 s SER 75 CO 0.10 -0.17 1.29 -0.81 0.98 0.00 0.00 173.24 174.63 2cr3 n PRO 76 N 1.18 0.49 0.00 4.02 -0.04 -1.26 -1.85 135.00 137.53 2cr3 n PRO 76 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2cr3 n PRO 76 Cb 0.55 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2cr3 n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr3 n SER 77 N -0.97 0.58 0.00 3.54 2.88 -1.26 -5.07 113.62 113.31 2cr3 n SER 77 Ca 0.11 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2cr3 n SER 77 Cb 0.05 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2cr3 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr3 n GLY 78 N 0.44 3.82 3.79 0.46 0.00 -0.77 -5.13 105.19 107.80 2cr3 n GLY 78 Ca 0.00 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 2cr3 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr3 s SER 79 N 0.00 5.40 0.50 1.61 1.04 -1.26 -4.29 113.70 116.69 2cr3 s SER 79 Ca 0.00 1.90 0.01 0.00 0.48 0.00 0.00 55.95 58.35 2cr3 s SER 79 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2cr3 s SER 79 CO 0.00 -1.43 0.04 -0.62 0.98 0.00 0.00 173.24 172.21 2cr3 s ASP 80 N -2.73 3.84 -0.17 7.02 2.15 -0.80 -4.97 116.67 121.01 2cr3 s ASP 80 Ca 0.65 -1.71 -0.10 0.00 0.43 0.00 0.00 52.55 51.82 2cr3 s ASP 80 Cb -0.18 0.65 0.06 0.00 -0.30 0.00 0.00 42.92 43.14 2cr3 s ASP 80 CO 0.40 -0.93 0.42 -0.89 -0.17 0.00 0.00 175.17 174.00 2cr3 s THR 81 N -2.97 -0.02 -0.17 1.71 2.01 -1.26 -2.86 115.64 112.08 2cr3 s THR 81 Ca 0.07 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2cr3 s THR 81 Cb 0.01 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.93 2cr3 s THR 81 CO 0.04 0.03 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.03 2cr3 s THR 82 N 1.32 1.40 0.42 -0.82 2.01 -0.24 -4.89 115.64 114.85 2cr3 s THR 82 Ca -0.09 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 2cr3 s THR 82 Cb -0.08 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 2cr3 s THR 82 CO -0.12 0.21 0.73 -0.31 -0.69 0.00 0.00 174.62 174.43 2cr3 s TYR 83 N 1.51 3.52 -0.24 4.92 1.51 -1.22 -0.88 117.35 126.47 2cr3 s TYR 83 Ca 0.01 0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 56.85 2cr3 s TYR 83 Cb -0.15 -2.27 0.13 0.00 -0.11 0.00 0.00 41.96 39.55 2cr3 s TYR 83 CO -0.08 -0.13 0.34 -0.06 -1.11 0.00 0.00 175.55 174.50 2cr3 s PHE 84 N -2.51 -0.68 -0.46 2.71 0.40 0.24 -2.17 117.98 115.51 2cr3 s PHE 84 Ca 0.47 0.59 -0.28 0.00 -0.60 0.00 0.00 56.93 57.12 2cr3 s PHE 84 Cb -0.10 -0.11 0.03 0.00 0.51 0.00 0.00 43.02 43.34 2cr3 s PHE 84 CO 0.38 -0.72 1.05 0.45 0.70 0.00 0.00 175.22 177.08 2cr3 s SER 85 N 2.48 6.60 0.07 1.36 0.15 0.28 -1.49 113.70 123.14 2cr3 s SER 85 Ca 0.11 0.36 0.04 0.00 0.70 0.00 0.00 55.95 57.16 2cr3 s SER 85 Cb -0.15 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2cr3 s SER 85 CO -0.17 -1.15 0.02 -0.69 1.20 0.00 0.00 173.24 172.45 2cr3 s VAL 86 N 4.13 4.17 -0.25 4.45 1.01 -0.62 0.20 120.40 133.49 2cr3 s VAL 86 Ca 0.43 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2cr3 s VAL 86 Cb -0.09 -2.96 0.12 0.00 0.00 0.00 0.00 36.38 33.45 2cr3 s VAL 86 CO 0.29 0.18 0.28 0.21 0.00 0.00 0.00 175.10 176.06 2cr3 s ASN 87 N -2.14 1.37 -0.33 3.32 2.47 -1.23 -3.08 114.94 115.32 2cr3 s ASN 87 Ca 0.25 -0.41 -0.12 0.00 0.42 0.00 0.00 52.86 53.00 2cr3 s ASN 87 Cb -0.12 0.54 -0.01 0.00 -1.45 0.00 0.00 41.25 40.21 2cr3 s ASN 87 CO 0.17 -0.35 0.21 -0.69 -3.72 0.00 0.00 177.10 172.72 2cr3 s VAL 88 N 2.37 5.07 -0.24 -5.21 1.01 -1.26 -0.19 120.40 121.96 2cr3 s VAL 88 Ca 0.09 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 2cr3 s VAL 88 Cb -0.15 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.70 2cr3 s VAL 88 CO -0.22 0.01 0.68 -0.55 0.00 0.00 0.00 175.10 175.02 2cr3 s SER 89 N 1.69 -0.70 0.38 3.32 0.15 0.11 -3.42 113.70 115.22 2cr3 s SER 89 Ca 0.06 1.31 0.23 0.00 0.70 0.00 0.00 55.95 58.25 2cr3 s SER 89 Cb -0.17 1.32 1.25 0.00 -1.71 0.00 0.00 66.02 66.71 2cr3 s SER 89 CO 0.09 -0.27 1.68 -2.24 1.20 0.00 0.00 173.24 173.71 2cr3 h ASP 90 N 4.89 0.00 -3.28 5.45 2.03 -1.91 -3.33 116.42 120.26 2cr3 h ASP 90 Ca -0.29 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.45 2cr3 h ASP 90 Cb 1.16 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.61 2cr3 h ASP 90 CO 0.10 0.00 1.04 0.00 -1.03 0.00 0.00 179.24 179.35 2cr3 s ALA 91 N -3.60 3.12 0.03 4.15 0.00 -1.26 -4.99 121.76 119.21 2cr3 s ALA 91 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2cr3 s ALA 91 Cb 0.07 -3.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 2cr3 s ALA 91 CO 0.21 -2.26 -0.06 -0.51 0.00 0.00 0.00 175.76 173.14 2cr3 s LEU 92 N 5.16 2.26 0.47 0.00 1.43 -1.26 -4.97 118.68 121.77 2cr3 s LEU 92 Ca 0.59 -0.55 0.26 0.00 -1.03 0.00 0.00 54.13 53.40 2cr3 s LEU 92 Cb -0.14 -0.05 1.10 0.00 0.03 0.00 0.00 46.19 47.14 2cr3 s LEU 92 CO 0.31 -0.26 1.90 1.55 0.23 0.00 0.00 176.35 180.08 2cr3 h PRO 93 N 4.49 0.00 -6.06 1.29 0.13 -1.99 -3.42 132.00 126.43 2cr3 h PRO 93 Ca -0.34 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.23 2cr3 h PRO 93 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2cr3 h PRO 93 CO 0.42 0.18 1.40 0.45 -0.23 0.00 0.00 178.00 180.22 2cr3 s SER 94 N -6.12 5.49 0.00 1.44 0.15 -1.26 -4.69 113.70 108.71 2cr3 s SER 94 Ca -0.00 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2cr3 s SER 94 Cb 0.11 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2cr3 s SER 94 CO 0.61 -2.02 0.00 0.61 1.20 0.00 0.00 173.24 173.64 2cr3 n GLY 95 N 5.64 3.27 0.24 9.45 0.00 -1.26 -5.03 105.19 117.51 2cr3 n GLY 95 Ca 0.27 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2cr3 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr3 h PRO 96 N 0.00 0.73 -6.65 1.61 0.13 -1.99 -3.44 132.00 122.39 2cr3 h PRO 96 Ca 0.00 -0.38 -0.51 0.00 -0.87 0.00 0.00 66.00 64.24 2cr3 h PRO 96 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 2cr3 h PRO 96 CO 0.00 1.00 0.26 -1.12 -0.23 0.00 0.00 178.00 177.91 2cr3 s SER 97 N -6.85 7.48 -0.24 1.44 0.01 -1.26 -5.05 113.70 109.23 2cr3 s SER 97 Ca -0.09 1.78 -0.09 0.00 1.31 0.00 0.00 55.95 58.86 2cr3 s SER 97 Cb 0.12 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2cr3 s SER 97 CO 0.85 0.16 0.12 -0.55 0.41 0.00 0.00 173.24 174.23 2cr3 s SER 98 N -1.22 5.75 0.00 2.44 0.15 -1.26 -5.15 113.70 114.40 2cr3 s SER 98 Ca 0.39 0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2cr3 s SER 98 Cb -0.24 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2cr3 s SER 98 CO 0.28 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.38