#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr3 s SER 2 N 0.00 -0.18 0.62 1.61 0.01 -1.26 -5.16 113.70 109.35 2cr3 s SER 2 Ca 0.00 0.66 -0.07 0.00 1.31 0.00 0.00 55.95 57.86 2cr3 s SER 2 Cb 0.00 1.36 0.02 0.00 0.21 0.00 0.00 66.02 67.61 2cr3 s SER 2 CO 0.00 -0.26 0.95 -0.44 0.41 0.00 0.00 173.24 173.89 2cr3 s SER 3 N 2.62 5.44 -0.11 2.44 0.01 -1.26 -5.09 113.70 117.75 2cr3 s SER 3 Ca 0.07 0.72 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2cr3 s SER 3 Cb -0.14 -1.63 0.02 0.00 0.21 0.00 0.00 66.02 64.49 2cr3 s SER 3 CO -0.15 -1.19 -0.09 -0.83 0.41 0.00 0.00 173.24 171.39 2cr3 s GLY 4 N -4.35 0.85 -0.14 3.44 0.00 -1.26 -5.11 107.32 100.75 2cr3 s GLY 4 Ca 0.55 -0.56 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 2cr3 s GLY 4 CO 0.46 0.68 1.29 -0.56 0.00 0.00 0.00 173.10 174.97 2cr3 s SER 5 N 1.53 6.93 -0.20 1.64 0.01 -1.26 -5.01 113.70 117.34 2cr3 s SER 5 Ca 0.02 1.75 -0.06 0.00 1.31 0.00 0.00 55.95 58.97 2cr3 s SER 5 Cb -0.13 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 2cr3 s SER 5 CO -0.07 -0.76 0.02 -0.44 0.41 0.00 0.00 173.24 172.40 2cr3 s SER 6 N 2.03 4.97 -0.04 2.44 0.01 -1.26 -5.10 113.70 116.75 2cr3 s SER 6 Ca 0.56 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.50 2cr3 s SER 6 Cb -0.23 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 2cr3 s SER 6 CO 0.17 0.07 0.44 -0.83 0.41 0.00 0.00 173.24 173.49 2cr3 s GLY 7 N 0.98 2.46 0.15 3.44 0.00 -1.26 -5.07 107.32 108.02 2cr3 s GLY 7 Ca 0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 44.72 44.38 2cr3 s GLY 7 CO 0.02 0.38 0.45 -1.34 0.00 0.00 0.00 173.10 172.61 2cr3 s VAL 8 N -0.50 0.05 -0.46 1.40 -7.23 -1.26 -5.12 120.40 107.28 2cr3 s VAL 8 Ca 0.24 -0.65 -0.28 0.00 -1.81 0.00 0.00 61.98 59.49 2cr3 s VAL 8 Cb -0.16 -1.33 0.03 0.00 0.56 0.00 0.00 36.38 35.47 2cr3 s VAL 8 CO 0.12 -0.22 1.05 -1.83 -0.31 0.00 0.00 175.10 173.91 2cr3 s GLU 9 N -3.83 3.69 -0.51 4.82 -1.05 -1.26 -4.99 118.70 115.57 2cr3 s GLU 9 Ca 0.06 0.47 -0.04 0.00 -0.15 0.00 0.00 54.97 55.30 2cr3 s GLU 9 Cb 0.01 -3.90 0.13 0.00 -0.44 0.00 0.00 34.13 29.93 2cr3 s GLU 9 CO -0.08 -1.27 0.33 0.08 0.95 0.00 0.00 175.26 175.27 2cr3 s VAL 10 N 4.11 3.69 -0.00 1.83 1.01 -1.26 -3.51 120.40 126.27 2cr3 s VAL 10 Ca 0.44 -2.34 -0.30 0.00 0.00 0.00 0.00 61.98 59.78 2cr3 s VAL 10 Cb -0.09 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 2cr3 s VAL 10 CO 0.28 -0.78 1.88 -0.70 0.00 0.00 0.00 175.10 175.77 2cr3 s GLU 11 N 0.73 4.11 0.19 2.72 2.12 -0.84 -4.65 118.70 123.08 2cr3 s GLU 11 Ca 0.11 2.45 -0.14 0.00 0.36 0.00 0.00 54.97 57.75 2cr3 s GLU 11 Cb -0.22 -4.12 -0.07 0.00 0.26 0.00 0.00 34.13 29.98 2cr3 s GLU 11 CO -0.03 -0.97 0.59 0.45 -0.54 0.00 0.00 175.26 174.76 2cr3 s SER 12 N 4.24 6.82 0.16 -1.70 0.15 -1.26 0.11 113.70 122.22 2cr3 s SER 12 Ca 0.84 1.12 -0.01 0.00 0.70 0.00 0.00 55.95 58.59 2cr3 s SER 12 Cb -0.39 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2cr3 s SER 12 CO 0.37 0.03 0.10 -0.36 1.20 0.00 0.00 173.24 174.58 2cr3 s PHE 13 N -1.59 0.98 -0.25 3.44 0.40 0.32 -4.87 117.98 116.41 2cr3 s PHE 13 Ca 0.42 -1.29 -0.10 0.00 -0.60 0.00 0.00 56.93 55.36 2cr3 s PHE 13 Cb -0.14 -0.50 0.10 0.00 0.51 0.00 0.00 43.02 42.99 2cr3 s PHE 13 CO 0.20 -0.58 0.57 -1.17 0.70 0.00 0.00 175.22 174.93 2cr3 s LEU 14 N -3.10 -0.86 0.00 -0.37 1.98 -1.26 -3.57 118.68 111.51 2cr3 s LEU 14 Ca 0.31 1.33 0.02 0.00 -2.89 0.00 0.00 54.13 52.90 2cr3 s LEU 14 Cb 0.07 1.96 -0.01 0.00 0.66 0.00 0.00 46.19 48.87 2cr3 s LEU 14 CO 0.06 -0.22 0.19 1.33 -1.89 0.00 0.00 176.35 175.82 2cr3 n VAL 15 N 5.08 0.00 -4.37 1.68 0.24 0.45 -4.97 118.33 116.44 2cr3 n VAL 15 Ca -0.14 -1.12 -0.19 0.00 -2.04 0.00 0.00 64.34 60.85 2cr3 n VAL 15 Cb 0.52 0.60 -0.10 0.00 -1.47 0.00 0.00 33.84 33.39 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 -3.15 1.72 -0.64 6.34 -3.43 -1.24 0.14 115.29 115.02 2cr3 s HIS 16 Ca 0.18 -1.07 -0.26 0.00 -0.80 0.00 0.00 55.06 53.11 2cr3 s HIS 16 Cb 0.00 -1.06 -0.02 0.00 -1.43 0.00 0.00 32.58 30.07 2cr3 s HIS 16 CO 0.13 -0.17 1.87 -1.25 -2.00 0.00 0.00 174.74 173.32 2cr3 s PRO 17 N -3.96 2.62 0.00 -0.38 0.04 -1.26 -2.32 135.00 129.74 2cr3 s PRO 17 Ca 0.37 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2cr3 s PRO 17 Cb 0.08 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2cr3 s PRO 17 CO 0.14 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 174.79 2cr3 n GLY 18 N 5.82 0.88 1.63 0.56 0.00 0.33 -4.93 105.19 109.47 2cr3 n GLY 18 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.30 -4.21 1.61 9.92 -0.98 -4.01 116.55 119.18 2cr3 n ASP 19 Ca 0.00 -1.34 -0.37 0.00 -0.53 0.00 0.00 54.79 52.55 2cr3 n ASP 19 Cb 0.00 -0.35 -0.12 0.00 -0.64 0.00 0.00 41.12 40.01 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 4.58 -0.47 0.64 2.96 -1.26 -0.75 118.68 124.37 2cr3 s LEU 20 Ca 0.30 -1.45 -0.29 0.00 -0.22 0.00 0.00 54.13 52.47 2cr3 s LEU 20 Cb -0.01 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2cr3 s LEU 20 CO 0.20 -0.40 1.21 -0.22 -1.32 0.00 0.00 176.35 175.83 2cr3 s LEU 21 N 1.30 3.60 -0.09 -0.68 2.96 -0.15 -4.87 118.68 120.75 2cr3 s LEU 21 Ca 0.01 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 2cr3 s LEU 21 Cb -0.21 -3.51 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2cr3 s LEU 21 CO -0.00 -1.33 -0.14 -1.10 -1.32 0.00 0.00 176.35 172.46 2cr3 s GLN 22 N 4.65 2.96 0.38 1.98 -0.21 -1.26 -0.57 119.66 127.59 2cr3 s GLN 22 Ca 0.51 -0.70 0.04 0.00 0.02 0.00 0.00 55.36 55.22 2cr3 s GLN 22 Cb -0.09 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 2cr3 s GLN 22 CO 0.31 0.40 0.08 -0.51 -2.12 0.00 0.00 175.29 173.45 2cr3 s LEU 23 N -0.14 2.16 -0.17 2.90 1.43 0.36 -4.96 118.68 120.25 2cr3 s LEU 23 Ca -0.01 -1.52 -0.16 0.00 -1.03 0.00 0.00 54.13 51.41 2cr3 s LEU 23 Cb -0.14 -0.34 0.04 0.00 0.03 0.00 0.00 46.19 45.79 2cr3 s LEU 23 CO 0.03 -0.75 0.46 -0.60 0.23 0.00 0.00 176.35 175.73 2cr3 s ARG 24 N -3.82 0.54 -0.22 1.70 3.52 -1.26 -3.13 118.95 116.28 2cr3 s ARG 24 Ca 0.28 0.64 -0.00 0.00 -0.13 0.00 0.00 55.73 56.52 2cr3 s ARG 24 Cb 0.06 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.73 2cr3 s ARG 24 CO 0.14 -0.06 -0.12 0.00 -0.81 0.00 0.00 175.30 174.44 2cr3 s ARG 26 N 1.29 3.43 0.63 0.00 0.52 -1.26 -4.88 118.95 118.68 2cr3 s ARG 26 Ca 0.01 2.12 0.04 0.00 -0.52 0.00 0.00 55.73 57.39 2cr3 s ARG 26 Cb -0.15 -4.29 0.10 0.00 0.52 0.00 0.00 34.95 31.12 2cr3 s ARG 26 CO -0.08 -1.77 0.87 -0.51 0.02 0.00 0.00 175.30 173.83 2cr3 s LEU 27 N 7.12 3.10 0.14 2.53 1.43 -1.26 -5.00 118.68 126.73 2cr3 s LEU 27 Ca 0.95 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2cr3 s LEU 27 Cb -0.34 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2cr3 s LEU 27 CO 0.36 -1.52 -0.05 -0.13 0.23 0.00 0.00 176.35 175.24 2cr3 s ARG 28 N -4.86 0.99 0.00 1.70 0.52 -1.26 -5.01 118.95 111.02 2cr3 s ARG 28 Ca 0.63 -1.43 0.09 0.00 -0.52 0.00 0.00 55.73 54.50 2cr3 s ARG 28 Cb -0.06 -0.32 0.40 0.00 0.52 0.00 0.00 34.95 35.49 2cr3 s ARG 28 CO 0.41 -0.04 1.29 -3.47 0.02 0.00 0.00 175.30 173.52 2cr3 n ASP 29 N -0.15 0.00 -0.08 0.23 -0.08 -1.26 -2.24 116.55 112.97 2cr3 n ASP 29 Ca -0.10 0.48 -0.08 0.00 -1.51 0.00 0.00 54.79 53.58 2cr3 n ASP 29 Cb 0.62 -0.49 -0.11 0.00 2.34 0.00 0.00 41.12 43.48 2cr3 n ASP 29 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2cr3 n ASP 30 N -1.49 1.58 -3.12 1.67 8.00 -1.26 -5.02 116.55 116.90 2cr3 n ASP 30 Ca 0.02 -0.02 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 2cr3 n ASP 30 Cb 0.11 0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.65 1.02 -0.01 2.53 0.31 -0.95 -4.52 118.33 114.06 2cr3 n VAL 31 Ca -0.26 -0.36 -0.01 0.00 -0.01 0.00 0.00 64.34 63.71 2cr3 n VAL 31 Cb 0.96 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.88 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 0.82 3.54 -3.91 5.55 6.02 -0.19 -4.93 117.38 124.28 2cr3 n GLN 32 Ca 0.11 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.00 2cr3 n GLN 32 Cb 0.22 -1.04 -0.01 0.00 1.02 0.00 0.00 30.24 30.44 2cr3 n GLN 32 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2cr3 s SER 33 N -3.13 0.21 0.00 1.08 0.01 -1.20 -4.98 113.70 105.70 2cr3 s SER 33 Ca -0.01 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2cr3 s SER 33 Cb 0.00 0.76 -0.00 0.00 0.21 0.00 0.00 66.02 66.99 2cr3 s SER 33 CO 0.06 -1.49 -0.01 -0.63 0.41 0.00 0.00 173.24 171.58 2cr3 s ILE 34 N -2.87 0.04 -0.26 1.44 1.01 -1.26 -2.03 121.20 117.27 2cr3 s ILE 34 Ca 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2cr3 s ILE 34 Cb -0.04 -0.08 0.07 0.00 0.01 0.00 0.00 42.46 42.43 2cr3 s ILE 34 CO 0.13 -0.12 -0.01 0.21 0.00 0.00 0.00 174.94 175.15 2cr3 s ASN 35 N -0.36 3.99 0.10 3.58 2.47 0.36 -4.92 114.94 120.16 2cr3 s ASN 35 Ca -0.04 -1.39 -0.29 0.00 0.42 0.00 0.00 52.86 51.56 2cr3 s ASN 35 Cb -0.02 -1.18 -0.06 0.00 -1.45 0.00 0.00 41.25 38.54 2cr3 s ASN 35 CO -0.00 -0.29 0.93 0.26 -3.72 0.00 0.00 177.10 174.28 2cr3 s TRP 36 N 1.37 3.80 0.12 0.43 0.52 -1.26 -0.10 118.94 123.81 2cr3 s TRP 36 Ca -0.01 1.75 0.04 0.00 0.02 0.00 0.00 56.10 57.90 2cr3 s TRP 36 Cb -0.19 -3.02 -0.04 0.00 -1.15 0.00 0.00 33.47 29.07 2cr3 s TRP 36 CO -0.10 0.21 -0.10 -0.51 0.02 0.00 0.00 176.95 176.47 2cr3 s LEU 37 N 0.02 2.46 -0.18 2.99 1.43 0.15 -0.69 118.68 124.86 2cr3 s LEU 37 Ca 0.46 -0.90 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2cr3 s LEU 37 Cb -0.23 -0.33 0.09 0.00 0.03 0.00 0.00 46.19 45.75 2cr3 s LEU 37 CO 0.29 -0.29 0.26 -0.60 0.23 0.00 0.00 176.35 176.24 2cr3 s ARG 38 N -3.21 0.19 -1.69 1.70 3.52 0.15 -0.38 118.95 119.23 2cr3 s ARG 38 Ca 0.10 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 2cr3 s ARG 38 Cb -0.00 -0.61 0.00 0.00 -1.56 0.00 0.00 34.95 32.78 2cr3 s ARG 38 CO 0.00 -0.50 0.00 -0.25 -0.81 0.00 0.00 175.30 173.74 2cr3 n ASP 39 N 5.34 -5.18 -0.81 -2.12 9.92 -0.85 -3.00 116.55 119.86 2cr3 n ASP 39 Ca -0.05 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 2cr3 n ASP 39 Cb 0.50 -4.25 0.00 0.00 -0.64 0.00 0.00 41.12 36.73 2cr3 n ASP 39 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cr3 n GLY 40 N -0.91 0.48 3.59 0.44 0.00 -1.26 -5.05 105.19 102.47 2cr3 n GLY 40 Ca -0.20 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.58 0.00 0.15 1.61 0.11 -1.16 -5.14 120.40 113.39 2cr3 s VAL 41 Ca 0.00 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 58.72 2cr3 s VAL 41 Cb 0.00 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.72 2cr3 s VAL 41 CO 0.00 0.00 1.63 1.67 -3.33 0.00 0.00 175.10 175.07 2cr3 n GLN 42 N 0.91 2.29 -2.04 1.54 -0.06 -1.26 0.31 117.38 119.07 2cr3 n GLN 42 Ca -0.09 0.83 -0.32 0.00 -2.00 0.00 0.00 57.00 55.42 2cr3 n GLN 42 Cb 0.58 -2.62 -0.00 0.00 -4.06 0.00 0.00 30.24 24.14 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 1.21 3.39 0.07 1.69 2.96 0.13 -4.76 118.68 123.36 2cr3 s LEU 43 Ca 0.79 1.54 0.03 0.00 -0.22 0.00 0.00 54.13 56.27 2cr3 s LEU 43 Cb -0.64 -4.49 -0.03 0.00 0.50 0.00 0.00 46.19 41.53 2cr3 s LEU 43 CO 0.38 -0.87 -0.09 0.00 -1.32 0.00 0.00 176.35 174.45 2cr3 s ALA 44 N -2.89 0.82 0.30 5.97 0.00 -1.26 -4.94 121.76 119.77 2cr3 s ALA 44 Ca 0.58 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2cr3 s ALA 44 Cb -0.11 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2cr3 s ALA 44 CO 0.44 -0.05 0.46 -1.21 0.00 0.00 0.00 175.76 175.40 2cr3 s GLU 45 N -2.29 3.42 0.32 0.00 2.02 -1.26 -4.88 118.70 116.02 2cr3 s GLU 45 Ca -0.02 -0.59 -0.10 0.00 0.02 0.00 0.00 54.97 54.29 2cr3 s GLU 45 Cb -0.05 -2.78 0.04 0.00 0.10 0.00 0.00 34.13 31.44 2cr3 s GLU 45 CO -0.01 0.26 0.59 0.45 0.02 0.00 0.00 175.26 176.57 2cr3 n SER 46 N -1.61 -1.71 0.10 -0.19 2.88 -0.07 -4.91 113.62 108.10 2cr3 n SER 46 Ca -0.06 -2.38 0.18 0.00 -1.33 0.00 0.00 58.87 55.28 2cr3 n SER 46 Cb 0.57 2.91 0.54 0.00 -0.75 0.00 0.00 64.21 67.48 2cr3 n SER 46 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2cr3 h ASN 47 N 1.64 0.00 0.00 -3.46 4.21 -2.00 -2.81 115.58 113.16 2cr3 h ASN 47 Ca -0.27 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.20 2cr3 h ASN 47 Cb 1.01 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.21 2cr3 h ASN 47 CO 0.34 0.00 -0.79 0.54 -1.29 0.00 0.00 177.43 176.23 2cr3 n ARG 48 N -3.19 0.30 -2.02 0.81 1.74 -1.26 -4.86 116.66 108.19 2cr3 n ARG 48 Ca 0.09 0.12 -0.41 0.00 -0.77 0.00 0.00 57.85 56.88 2cr3 n ARG 48 Cb 0.90 -1.03 -0.02 0.00 -1.02 0.00 0.00 32.46 31.29 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 -2.47 2.64 -0.18 0.55 2.01 -1.06 -2.00 115.64 115.13 2cr3 s THR 49 Ca -0.17 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 2cr3 s THR 49 Cb 0.03 -3.35 0.06 0.00 0.01 0.00 0.00 72.50 69.25 2cr3 s THR 49 CO 0.25 0.10 0.07 -0.60 -0.69 0.00 0.00 174.62 173.74 2cr3 s ARG 50 N -0.68 0.29 -0.50 4.92 6.06 0.58 -0.89 118.95 128.72 2cr3 s ARG 50 Ca 0.57 -0.21 -0.16 0.00 -2.50 0.00 0.00 55.73 53.44 2cr3 s ARG 50 Cb -0.42 -1.93 0.09 0.00 0.06 0.00 0.00 34.95 32.76 2cr3 s ARG 50 CO 0.46 -0.66 0.44 0.42 -2.50 0.00 0.00 175.30 173.46 2cr3 s ILE 51 N 2.03 5.22 -0.69 4.11 1.01 -1.26 0.30 121.20 131.92 2cr3 s ILE 51 Ca 0.01 -1.21 0.07 0.00 0.00 0.00 0.00 60.65 59.51 2cr3 s ILE 51 Cb -0.16 -4.21 0.38 0.00 0.01 0.00 0.00 42.46 38.48 2cr3 s ILE 51 CO -0.09 -0.70 1.09 0.35 0.00 0.00 0.00 174.94 175.60 2cr3 n THR 52 N 5.23 1.26 0.00 2.92 -2.24 0.02 -4.92 114.28 116.55 2cr3 n THR 52 Ca -0.13 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2cr3 n THR 52 Cb 0.42 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.31 2.11 0.15 3.38 0.00 -1.26 -4.44 105.19 105.45 2cr3 n GLY 53 Ca 0.13 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 0.69 -3.84 1.61 0.28 -1.26 -4.76 120.64 113.35 2cr3 n GLU 54 Ca 0.00 -0.64 -0.25 0.00 -0.16 0.00 0.00 57.16 56.11 2cr3 n GLU 54 Cb 0.00 -1.02 -0.17 0.00 1.43 0.00 0.00 31.44 31.68 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 -0.56 1.09 -0.09 3.44 2.02 -1.26 0.13 118.70 123.46 2cr3 s GLU 55 Ca 0.05 -0.09 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 2cr3 s GLU 55 Cb 0.04 -1.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.92 2cr3 s GLU 55 CO 0.08 -0.29 0.10 0.08 0.02 0.00 0.00 175.26 175.24 2cr3 s VAL 56 N 1.83 5.08 -0.11 2.63 1.01 -1.18 -0.80 120.40 128.85 2cr3 s VAL 56 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2cr3 s VAL 56 Cb -0.12 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.09 2cr3 s VAL 56 CO -0.07 0.58 0.06 -0.70 0.00 0.00 0.00 175.10 174.97 2cr3 s GLU 57 N -1.10 0.10 -0.25 2.72 2.12 0.15 -0.49 118.70 121.95 2cr3 s GLU 57 Ca 0.16 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.60 2cr3 s GLU 57 Cb -0.12 -1.21 0.04 0.00 0.26 0.00 0.00 34.13 33.10 2cr3 s GLU 57 CO 0.05 -0.49 -0.09 0.08 -0.54 0.00 0.00 175.26 174.27 2cr3 s VAL 58 N 2.12 2.55 0.38 3.70 1.01 0.27 0.21 120.40 130.64 2cr3 s VAL 58 Ca 0.03 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.54 2cr3 s VAL 58 Cb -0.14 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.80 2cr3 s VAL 58 CO -0.06 0.15 0.98 -1.10 0.00 0.00 0.00 175.10 175.07 2cr3 s GLN 59 N 1.25 4.34 -1.50 2.72 -0.21 -0.85 -0.98 119.66 124.43 2cr3 s GLN 59 Ca -0.02 1.33 -0.13 0.00 0.02 0.00 0.00 55.36 56.56 2cr3 s GLN 59 Cb -0.17 -2.53 0.07 0.00 1.00 0.00 0.00 33.01 31.37 2cr3 s GLN 59 CO -0.06 0.05 0.98 -3.47 -2.12 0.00 0.00 175.29 170.67 2cr3 n ASP 60 N -0.00 -5.09 -3.82 5.90 2.03 -0.39 -4.75 116.55 110.44 2cr3 n ASP 60 Ca 0.04 -0.71 -0.34 0.00 0.52 0.00 0.00 54.79 54.30 2cr3 n ASP 60 Cb 0.51 -4.06 0.04 0.00 -0.72 0.00 0.00 41.12 36.89 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 -2.82 -5.71 -3.99 1.67 3.41 0.07 -3.87 113.62 102.37 2cr3 n SER 61 Ca 0.03 0.18 -0.09 0.00 -0.26 0.00 0.00 58.87 58.74 2cr3 n SER 61 Cb 0.53 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.91 0.15 -2.00 -3.33 -7.23 -1.26 -0.52 120.40 104.30 2cr3 s VAL 62 Ca 0.39 -1.52 0.10 0.00 -1.81 0.00 0.00 61.98 59.13 2cr3 s VAL 62 Cb -0.18 -1.60 0.29 0.00 0.56 0.00 0.00 36.38 35.46 2cr3 s VAL 62 CO 0.79 -0.66 1.05 -0.81 -0.31 0.00 0.00 175.10 175.15 2cr3 n PRO 63 N -0.04 0.49 -0.01 4.82 -0.04 -1.24 -1.99 135.00 136.99 2cr3 n PRO 63 Ca -0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.44 2cr3 n PRO 63 Cb 0.62 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.83 2.79 0.05 0.55 0.00 -1.26 -4.38 120.51 117.43 2cr3 n ALA 64 Ca 0.08 -0.45 0.01 0.00 0.00 0.00 0.00 53.44 53.07 2cr3 n ALA 64 Cb 0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 2cr3 n ALA 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2cr3 h ASP 65 N 0.00 0.00 -1.64 0.00 5.19 -1.80 -3.48 116.42 114.69 2cr3 h ASP 65 Ca 0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 2cr3 h ASP 65 Cb 0.83 0.00 0.25 0.00 0.18 0.00 0.00 39.33 40.59 2cr3 h ASP 65 CO 0.00 0.56 -1.96 -1.20 -3.12 0.00 0.00 179.24 173.51 2cr3 n SER 66 N -2.93 -2.83 0.00 6.45 7.64 -1.21 -4.94 113.62 115.81 2cr3 n SER 66 Ca -0.08 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2cr3 n SER 66 Cb 0.82 -0.72 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 2.83 0.23 3.19 0.23 0.00 -1.15 -5.01 105.19 105.51 2cr3 n GLY 67 Ca -0.01 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 5.72 0.20 0.99 2.96 -1.26 -1.37 118.68 125.92 2cr3 s LEU 68 Ca 0.00 -2.35 -0.30 0.00 -0.22 0.00 0.00 54.13 51.26 2cr3 s LEU 68 Cb 0.00 -1.99 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 2cr3 s LEU 68 CO 0.00 -0.56 1.01 -0.31 -1.32 0.00 0.00 176.35 175.17 2cr3 s TYR 69 N 0.69 3.77 -0.07 5.38 1.51 -0.61 -2.00 117.35 126.02 2cr3 s TYR 69 Ca 0.12 1.77 -0.01 0.00 -1.01 0.00 0.00 57.07 57.94 2cr3 s TYR 69 Cb -0.21 -3.13 0.03 0.00 -0.11 0.00 0.00 41.96 38.54 2cr3 s TYR 69 CO -0.03 -0.05 -0.01 0.00 -1.11 0.00 0.00 175.55 174.34 2cr3 s ALA 70 N -0.64 0.77 -0.23 3.71 0.00 0.48 0.76 121.76 126.61 2cr3 s ALA 70 Ca 0.45 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 2cr3 s ALA 70 Cb -0.27 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 2cr3 s ALA 70 CO 0.34 -0.39 0.12 0.00 0.00 0.00 0.00 175.76 175.83 2cr3 s VAL 72 N 1.02 2.91 -0.21 0.00 1.01 0.85 -1.10 120.40 124.89 2cr3 s VAL 72 Ca 0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 2cr3 s VAL 72 Cb -0.14 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2cr3 s VAL 72 CO 0.04 0.28 0.12 0.42 0.00 0.00 0.00 175.10 175.96 2cr3 s THR 73 N 1.36 5.23 -0.51 3.92 -4.23 -1.21 0.14 115.64 120.34 2cr3 s THR 73 Ca 0.02 0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 2cr3 s THR 73 Cb -0.16 -3.40 0.04 0.00 1.34 0.00 0.00 72.50 70.33 2cr3 s THR 73 CO -0.05 0.42 0.83 -0.44 -0.54 0.00 0.00 174.62 174.84 2cr3 s SER 74 N 0.57 6.34 0.15 3.99 0.01 -0.86 -2.57 113.70 121.32 2cr3 s SER 74 Ca 0.07 -0.39 0.09 0.00 1.31 0.00 0.00 55.95 57.03 2cr3 s SER 74 Cb -0.12 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2cr3 s SER 74 CO 0.00 -1.06 -0.22 -0.94 0.41 0.00 0.00 173.24 171.43 2cr3 s SER 75 N 2.59 2.92 0.00 2.44 1.04 -1.26 -1.02 113.70 120.40 2cr3 s SER 75 Ca 0.27 -0.80 0.12 0.00 0.48 0.00 0.00 55.95 56.02 2cr3 s SER 75 Cb -0.14 -0.18 0.71 0.00 0.10 0.00 0.00 66.02 66.51 2cr3 s SER 75 CO 0.19 0.06 1.14 -0.81 0.98 0.00 0.00 173.24 174.80 2cr3 n PRO 76 N 0.60 0.49 0.00 4.02 -0.04 -1.26 -1.81 135.00 137.00 2cr3 n PRO 76 Ca -0.16 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.33 2cr3 n PRO 76 Cb 0.55 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 2cr3 n PRO 76 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cr3 n SER 77 N -0.88 0.38 0.00 3.54 7.64 -1.26 -5.07 113.62 117.96 2cr3 n SER 77 Ca 0.09 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.28 2cr3 n SER 77 Cb 0.04 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 2cr3 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr3 n GLY 78 N 1.03 4.26 3.65 0.23 0.00 -0.75 -5.08 105.19 108.53 2cr3 n GLY 78 Ca 0.01 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 6.74 0.76 1.61 1.04 -1.26 -4.20 113.70 118.39 2cr3 s SER 79 Ca 0.00 1.65 -0.04 0.00 0.48 0.00 0.00 55.95 58.04 2cr3 s SER 79 Cb 0.00 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.72 2cr3 s SER 79 CO 0.00 -0.95 0.86 -0.67 0.98 0.00 0.00 173.24 173.47 2cr3 n ASP 80 N 7.25 0.77 -3.65 7.02 2.03 -1.06 -4.91 116.55 124.00 2cr3 n ASP 80 Ca 0.15 -1.74 -0.08 0.00 0.52 0.00 0.00 54.79 53.65 2cr3 n ASP 80 Cb 0.45 -0.60 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 2cr3 n ASP 80 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2cr3 s THR 81 N -2.65 -0.02 -0.17 5.18 2.01 -1.26 -3.28 115.64 115.46 2cr3 s THR 81 Ca 0.54 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.56 2cr3 s THR 81 Cb -0.03 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.58 2cr3 s THR 81 CO 0.37 0.01 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.29 2cr3 s THR 82 N 1.61 1.58 0.36 -0.82 2.01 -0.26 -4.91 115.64 115.21 2cr3 s THR 82 Ca -0.10 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 2cr3 s THR 82 Cb -0.06 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 2cr3 s THR 82 CO -0.19 0.35 0.66 -0.31 -0.69 0.00 0.00 174.62 174.44 2cr3 s TYR 83 N 1.46 3.49 -0.23 4.92 1.51 -1.23 -0.84 117.35 126.43 2cr3 s TYR 83 Ca 0.03 0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 56.85 2cr3 s TYR 83 Cb -0.14 -2.24 0.11 0.00 -0.11 0.00 0.00 41.96 39.59 2cr3 s TYR 83 CO -0.10 0.02 0.29 -0.06 -1.11 0.00 0.00 175.55 174.59 2cr3 s PHE 84 N -2.27 -0.50 -0.55 2.71 0.40 0.23 -1.98 117.98 116.02 2cr3 s PHE 84 Ca 0.47 0.35 -0.28 0.00 -0.60 0.00 0.00 56.93 56.86 2cr3 s PHE 84 Cb -0.10 -0.25 0.03 0.00 0.51 0.00 0.00 43.02 43.20 2cr3 s PHE 84 CO 0.32 -0.70 1.18 0.45 0.70 0.00 0.00 175.22 177.17 2cr3 s SER 85 N 2.41 6.50 0.01 1.36 0.15 0.30 -1.58 113.70 122.84 2cr3 s SER 85 Ca 0.09 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2cr3 s SER 85 Cb -0.15 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 2cr3 s SER 85 CO -0.17 -1.42 0.08 -0.69 1.20 0.00 0.00 173.24 172.24 2cr3 s VAL 86 N 4.83 4.70 -0.25 4.45 1.01 -0.47 0.12 120.40 134.79 2cr3 s VAL 86 Ca 0.45 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2cr3 s VAL 86 Cb -0.07 -3.16 0.12 0.00 0.00 0.00 0.00 36.38 33.26 2cr3 s VAL 86 CO 0.27 0.32 0.27 0.21 0.00 0.00 0.00 175.10 176.17 2cr3 s ASN 87 N -1.83 1.44 -0.27 3.32 2.47 -1.23 -2.96 114.94 115.88 2cr3 s ASN 87 Ca 0.24 -0.42 -0.11 0.00 0.42 0.00 0.00 52.86 52.99 2cr3 s ASN 87 Cb -0.12 0.49 -0.05 0.00 -1.45 0.00 0.00 41.25 40.12 2cr3 s ASN 87 CO 0.15 -0.35 0.19 -0.69 -3.72 0.00 0.00 177.10 172.68 2cr3 s VAL 88 N 2.36 5.32 -0.19 -5.21 1.01 -1.26 -0.41 120.40 122.01 2cr3 s VAL 88 Ca 0.09 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 2cr3 s VAL 88 Cb -0.15 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 32.80 2cr3 s VAL 88 CO -0.22 0.26 0.87 -0.55 0.00 0.00 0.00 175.10 175.46 2cr3 s SER 89 N 1.66 -0.54 0.45 3.32 0.15 0.12 -3.65 113.70 115.21 2cr3 s SER 89 Ca 0.07 0.84 0.31 0.00 0.70 0.00 0.00 55.95 57.86 2cr3 s SER 89 Cb -0.16 0.77 1.62 0.00 -1.71 0.00 0.00 66.02 66.54 2cr3 s SER 89 CO 0.10 -0.33 1.93 -0.78 1.20 0.00 0.00 173.24 175.36 2cr3 h ASP 90 N 3.65 0.00 -3.07 5.45 3.58 -1.91 -3.30 116.42 120.82 2cr3 h ASP 90 Ca -0.25 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.63 2cr3 h ASP 90 Cb 1.16 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 2cr3 h ASP 90 CO 0.22 0.00 1.09 0.00 -2.88 0.00 0.00 179.24 177.67 2cr3 s ALA 91 N -3.75 3.12 0.03 -0.78 0.00 -1.26 -4.99 121.76 114.14 2cr3 s ALA 91 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2cr3 s ALA 91 Cb 0.09 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 2cr3 s ALA 91 CO 0.30 -2.22 -0.04 -0.51 0.00 0.00 0.00 175.76 173.29 2cr3 s LEU 92 N 5.40 2.30 0.00 0.00 1.43 -1.26 -4.96 118.68 121.58 2cr3 s LEU 92 Ca 0.65 -0.61 0.14 0.00 -1.03 0.00 0.00 54.13 53.28 2cr3 s LEU 92 Cb -0.18 0.05 0.65 0.00 0.03 0.00 0.00 46.19 46.74 2cr3 s LEU 92 CO 0.30 -0.33 1.44 -0.81 0.23 0.00 0.00 176.35 177.17 2cr3 n PRO 93 N 1.26 0.07 -1.02 1.29 -0.04 -1.26 -4.81 135.00 130.48 2cr3 n PRO 93 Ca -0.22 0.22 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2cr3 n PRO 93 Cb 0.56 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.65 2cr3 n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cr3 s SER 94 N -2.86 3.73 0.00 3.54 0.01 -1.26 -4.95 113.70 111.92 2cr3 s SER 94 Ca 0.09 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2cr3 s SER 94 Cb 0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2cr3 s SER 94 CO 0.25 -2.56 0.00 0.61 0.41 0.00 0.00 173.24 171.95 2cr3 n GLY 95 N -0.36 2.23 2.64 3.44 0.00 -1.26 -5.16 105.19 106.73 2cr3 n GLY 95 Ca 0.11 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 2cr3 n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr3 n PRO 96 N 0.00 -2.63 -1.97 1.61 -0.04 -1.26 -4.93 135.00 125.79 2cr3 n PRO 96 Ca 0.00 -1.32 -0.42 0.00 -0.04 0.00 0.00 63.50 61.72 2cr3 n PRO 96 Cb 0.00 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 2cr3 n PRO 96 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cr3 s SER 97 N -3.73 6.64 -0.24 3.54 0.01 -1.26 -4.90 113.70 113.77 2cr3 s SER 97 Ca 0.54 2.35 -0.16 0.00 1.31 0.00 0.00 55.95 59.99 2cr3 s SER 97 Cb -0.05 -2.55 -0.13 0.00 0.21 0.00 0.00 66.02 63.51 2cr3 s SER 97 CO 0.41 -0.91 -0.19 -1.54 0.41 0.00 0.00 173.24 171.43 2cr3 n SER 98 N 6.46 1.92 0.00 2.44 3.41 -1.26 -5.36 113.62 121.23 2cr3 n SER 98 Ca 0.17 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2cr3 n SER 98 Cb 0.42 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2cr3 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49