#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 1.82 -4.75 1.61 7.64 -1.26 -4.93 113.62 113.75 2cr3 n SER 2 Ca 0.00 0.58 -0.40 0.00 1.01 0.00 0.00 58.87 60.06 2cr3 n SER 2 Cb 0.00 -0.90 0.02 0.00 -1.01 0.00 0.00 64.21 62.32 2cr3 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cr3 n SER 3 N -4.57 3.22 -2.13 6.43 7.64 -1.26 -5.01 113.62 117.95 2cr3 n SER 3 Ca -0.14 1.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.77 2cr3 n SER 3 Cb 0.37 -1.59 -0.04 0.00 -1.01 0.00 0.00 64.21 61.95 2cr3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr3 n GLY 4 N 0.61 3.49 3.36 0.23 0.00 -1.26 -5.12 105.19 106.50 2cr3 n GLY 4 Ca 0.05 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2cr3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr3 n SER 5 N -2.32 -2.01 -4.02 1.61 2.88 -1.26 -4.97 113.62 103.52 2cr3 n SER 5 Ca 0.03 0.91 -0.25 0.00 -1.33 0.00 0.00 58.87 58.24 2cr3 n SER 5 Cb 0.30 -0.95 -0.17 0.00 -0.75 0.00 0.00 64.21 62.64 2cr3 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr3 s SER 6 N -0.98 1.77 0.00 -3.46 0.01 -1.26 -5.05 113.70 104.73 2cr3 s SER 6 Ca 0.61 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2cr3 s SER 6 Cb -0.70 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 64.71 2cr3 s SER 6 CO 0.60 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.90 2cr3 n GLY 7 N 3.81 2.77 3.14 3.44 0.00 -1.26 -5.17 105.19 111.91 2cr3 n GLY 7 Ca -0.23 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 2cr3 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cr3 s VAL 8 N 0.00 0.21 -0.62 1.61 -7.23 -1.26 -5.10 120.40 108.01 2cr3 s VAL 8 Ca 0.00 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 58.00 2cr3 s VAL 8 Cb 0.00 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 35.07 2cr3 s VAL 8 CO 0.00 -0.63 1.32 -1.83 -0.31 0.00 0.00 175.10 173.65 2cr3 s GLU 9 N -3.99 3.31 -0.53 4.82 -1.05 -1.26 -4.97 118.70 115.03 2cr3 s GLU 9 Ca 0.19 0.20 -0.12 0.00 -0.15 0.00 0.00 54.97 55.08 2cr3 s GLU 9 Cb 0.07 -4.11 0.13 0.00 -0.44 0.00 0.00 34.13 29.78 2cr3 s GLU 9 CO -0.01 -1.95 0.44 0.08 0.95 0.00 0.00 175.26 174.77 2cr3 s VAL 10 N 5.73 4.70 -0.11 1.83 1.01 -1.26 -3.68 120.40 128.63 2cr3 s VAL 10 Ca 0.45 -1.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 2cr3 s VAL 10 Cb -0.09 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2cr3 s VAL 10 CO 0.22 -0.83 1.87 -0.70 0.00 0.00 0.00 175.10 175.65 2cr3 s GLU 11 N 1.35 3.84 0.24 2.72 2.12 -0.87 -4.68 118.70 123.42 2cr3 s GLU 11 Ca 0.06 2.15 -0.19 0.00 0.36 0.00 0.00 54.97 57.34 2cr3 s GLU 11 Cb -0.27 -4.14 -0.08 0.00 0.26 0.00 0.00 34.13 29.90 2cr3 s GLU 11 CO 0.00 -1.28 0.73 0.45 -0.54 0.00 0.00 175.26 174.63 2cr3 s SER 12 N 5.01 7.03 0.12 -1.70 0.15 -1.26 0.79 113.70 123.84 2cr3 s SER 12 Ca 0.84 1.41 -0.01 0.00 0.70 0.00 0.00 55.95 58.89 2cr3 s SER 12 Cb -0.34 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 2cr3 s SER 12 CO 0.35 -0.00 0.04 -0.36 1.20 0.00 0.00 173.24 174.46 2cr3 s PHE 13 N -1.58 0.84 -0.20 3.44 0.40 0.25 -4.86 117.98 116.26 2cr3 s PHE 13 Ca 0.45 -1.19 -0.09 0.00 -0.60 0.00 0.00 56.93 55.49 2cr3 s PHE 13 Cb -0.16 -0.49 0.08 0.00 0.51 0.00 0.00 43.02 42.96 2cr3 s PHE 13 CO 0.21 -0.47 0.46 -1.17 0.70 0.00 0.00 175.22 174.94 2cr3 s LEU 14 N -3.04 -0.46 0.00 -0.37 1.98 -1.26 -3.46 118.68 112.07 2cr3 s LEU 14 Ca 0.22 1.04 -0.00 0.00 -2.89 0.00 0.00 54.13 52.49 2cr3 s LEU 14 Cb 0.07 1.52 0.00 0.00 0.66 0.00 0.00 46.19 48.44 2cr3 s LEU 14 CO 0.00 -0.21 0.25 1.33 -1.89 0.00 0.00 176.35 175.82 2cr3 n VAL 15 N 4.77 0.00 -4.35 1.68 0.24 0.63 -4.96 118.33 116.35 2cr3 n VAL 15 Ca -0.17 -0.97 -0.18 0.00 -2.04 0.00 0.00 64.34 60.99 2cr3 n VAL 15 Cb 0.53 0.58 -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 -3.80 1.65 -0.85 6.34 -3.43 -1.25 0.12 115.29 114.08 2cr3 s HIS 16 Ca 0.16 -1.13 -0.25 0.00 -0.80 0.00 0.00 55.06 53.04 2cr3 s HIS 16 Cb -0.00 -1.00 -0.04 0.00 -1.43 0.00 0.00 32.58 30.10 2cr3 s HIS 16 CO 0.11 -0.25 1.93 -1.25 -2.00 0.00 0.00 174.74 173.28 2cr3 s PRO 17 N -3.99 2.57 0.00 -0.38 0.04 -1.26 -2.28 135.00 129.70 2cr3 s PRO 17 Ca 0.37 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2cr3 s PRO 17 Cb 0.08 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.67 2cr3 s PRO 17 CO 0.14 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.33 2cr3 n GLY 18 N 6.65 0.66 1.74 0.56 0.00 -0.37 -4.91 105.19 109.53 2cr3 n GLY 18 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.15 -4.21 1.61 9.92 -0.97 -3.89 116.55 119.17 2cr3 n ASP 19 Ca 0.00 -1.27 -0.37 0.00 -0.53 0.00 0.00 54.79 52.61 2cr3 n ASP 19 Cb 0.00 -0.43 -0.12 0.00 -0.64 0.00 0.00 41.12 39.93 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 4.65 -0.63 0.64 2.96 -1.26 -1.05 118.68 123.98 2cr3 s LEU 20 Ca 0.33 -1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 52.50 2cr3 s LEU 20 Cb -0.01 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.85 2cr3 s LEU 20 CO 0.23 -0.41 1.29 -0.22 -1.32 0.00 0.00 176.35 175.92 2cr3 s LEU 21 N 1.31 3.33 -0.13 -0.68 2.96 -0.24 -4.87 118.68 120.36 2cr3 s LEU 21 Ca 0.01 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2cr3 s LEU 21 Cb -0.21 -2.91 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 2cr3 s LEU 21 CO 0.00 -1.68 -0.08 -1.10 -1.32 0.00 0.00 176.35 172.17 2cr3 s GLN 22 N 5.40 3.42 0.31 1.98 -0.21 -1.26 -0.66 119.66 128.65 2cr3 s GLN 22 Ca 0.43 -0.59 0.05 0.00 0.02 0.00 0.00 55.36 55.27 2cr3 s GLN 22 Cb -0.08 -2.76 -0.06 0.00 1.00 0.00 0.00 33.01 31.11 2cr3 s GLN 22 CO 0.22 0.30 0.00 -0.51 -2.12 0.00 0.00 175.29 173.18 2cr3 s LEU 23 N 0.17 2.38 -0.11 2.90 1.43 0.99 -4.96 118.68 121.48 2cr3 s LEU 23 Ca -0.04 -1.29 -0.10 0.00 -1.03 0.00 0.00 54.13 51.67 2cr3 s LEU 23 Cb -0.14 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 45.57 2cr3 s LEU 23 CO 0.04 -0.48 0.29 -0.60 0.23 0.00 0.00 176.35 175.83 2cr3 s ARG 24 N -3.81 0.34 -0.16 1.70 3.52 -1.26 -2.66 118.95 116.63 2cr3 s ARG 24 Ca 0.33 0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 56.30 2cr3 s ARG 24 Cb 0.07 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.59 2cr3 s ARG 24 CO 0.14 -0.04 -0.03 0.00 -0.81 0.00 0.00 175.30 174.55 2cr3 s ARG 26 N 0.44 3.75 0.27 0.00 0.52 -1.26 -4.94 118.95 117.73 2cr3 s ARG 26 Ca -0.03 1.71 0.02 0.00 -0.52 0.00 0.00 55.73 56.91 2cr3 s ARG 26 Cb -0.14 -4.07 0.02 0.00 0.52 0.00 0.00 34.95 31.28 2cr3 s ARG 26 CO 0.03 -1.36 0.21 1.28 0.02 0.00 0.00 175.30 175.48 2cr3 n LEU 27 N 8.69 0.00 0.00 2.53 4.77 -1.26 -4.98 117.00 126.75 2cr3 n LEU 27 Ca 0.20 -1.43 -0.12 0.00 -0.03 0.00 0.00 56.01 54.62 2cr3 n LEU 27 Cb 0.45 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2cr3 n LEU 27 CO 0.65 -0.42 0.33 -2.11 -1.33 0.00 0.00 177.39 174.51 2cr3 n ARG 28 N -1.15 0.91 0.00 3.23 1.85 -1.26 -5.01 116.66 115.23 2cr3 n ARG 28 Ca -0.01 -2.61 0.00 0.00 -1.00 0.00 0.00 57.85 54.23 2cr3 n ARG 28 Cb 0.31 2.79 0.00 0.00 -1.05 0.00 0.00 32.46 34.51 2cr3 n ARG 28 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2cr3 n ASP 29 N -1.58 0.15 -0.00 2.89 2.03 -1.26 -3.26 116.55 115.52 2cr3 n ASP 29 Ca -0.03 -1.93 -0.00 0.00 0.52 0.00 0.00 54.79 53.35 2cr3 n ASP 29 Cb 0.60 -0.07 -0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2cr3 n ASP 29 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2cr3 n ASP 30 N -0.42 4.47 -3.79 1.67 8.00 -1.26 -5.06 116.55 120.15 2cr3 n ASP 30 Ca 0.00 -0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2cr3 n ASP 30 Cb 0.04 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 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 -2.26 1.57 -0.02 2.53 0.31 -1.20 -4.57 118.33 114.68 2cr3 n VAL 31 Ca -0.00 -0.39 -0.02 0.00 -0.01 0.00 0.00 64.34 63.91 2cr3 n VAL 31 Cb 0.50 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.40 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 0.90 2.76 -3.99 5.55 6.02 0.28 -4.95 117.38 123.96 2cr3 n GLN 32 Ca 0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.03 2cr3 n GLN 32 Cb 0.20 -1.10 -0.02 0.00 1.02 0.00 0.00 30.24 30.34 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 -3.68 0.47 0.00 1.08 0.01 -1.20 -4.96 113.70 105.42 2cr3 s SER 33 Ca -0.03 -1.28 -0.01 0.00 1.31 0.00 0.00 55.95 55.94 2cr3 s SER 33 Cb 0.01 0.71 -0.00 0.00 0.21 0.00 0.00 66.02 66.95 2cr3 s SER 33 CO 0.16 -1.39 0.01 -0.63 0.41 0.00 0.00 173.24 171.79 2cr3 s ILE 34 N -3.00 0.03 -0.27 1.44 1.01 -1.26 -2.17 121.20 116.98 2cr3 s ILE 34 Ca 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 2cr3 s ILE 34 Cb -0.02 -0.11 0.08 0.00 0.01 0.00 0.00 42.46 42.42 2cr3 s ILE 34 CO 0.16 -0.15 0.04 0.21 0.00 0.00 0.00 174.94 175.20 2cr3 s ASN 35 N -0.43 3.82 0.26 3.58 2.47 0.46 -4.92 114.94 120.18 2cr3 s ASN 35 Ca -0.05 -1.40 -0.29 0.00 0.42 0.00 0.00 52.86 51.54 2cr3 s ASN 35 Cb -0.03 -0.96 -0.09 0.00 -1.45 0.00 0.00 41.25 38.71 2cr3 s ASN 35 CO -0.00 -0.34 0.94 0.26 -3.72 0.00 0.00 177.10 174.23 2cr3 s TRP 36 N 1.54 3.92 0.14 0.43 0.52 -1.26 -0.05 118.94 124.18 2cr3 s TRP 36 Ca 0.04 1.88 -0.01 0.00 0.02 0.00 0.00 56.10 58.03 2cr3 s TRP 36 Cb -0.18 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.14 2cr3 s TRP 36 CO -0.15 0.41 0.08 -0.51 0.02 0.00 0.00 176.95 176.79 2cr3 s LEU 37 N -1.37 1.64 -0.23 2.99 1.43 0.68 -1.41 118.68 122.41 2cr3 s LEU 37 Ca 0.43 -1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 52.25 2cr3 s LEU 37 Cb -0.24 0.36 0.11 0.00 0.03 0.00 0.00 46.19 46.44 2cr3 s LEU 37 CO 0.30 -0.75 0.47 -0.60 0.23 0.00 0.00 176.35 176.00 2cr3 s ARG 38 N -4.06 0.39 -1.91 1.70 3.52 0.19 -1.01 118.95 117.78 2cr3 s ARG 38 Ca 0.26 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 2cr3 s ARG 38 Cb 0.07 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.82 2cr3 s ARG 38 CO 0.03 -0.31 0.00 -3.47 -0.81 0.00 0.00 175.30 170.74 2cr3 n ASP 39 N 5.40 -5.53 -0.52 -2.12 -0.08 -0.69 -2.23 116.55 110.78 2cr3 n ASP 39 Ca -0.08 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 2cr3 n ASP 39 Cb 0.50 -4.74 0.00 0.00 2.34 0.00 0.00 41.12 39.22 2cr3 n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cr3 n GLY 40 N -0.71 0.78 3.51 0.27 0.00 -1.26 -5.05 105.19 102.73 2cr3 n GLY 40 Ca -0.22 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.68 0.00 0.11 1.61 0.11 -0.95 -5.13 120.40 113.47 2cr3 s VAL 41 Ca 0.00 -0.01 -0.33 0.00 -2.93 0.00 0.00 61.98 58.71 2cr3 s VAL 41 Cb 0.00 -0.99 -0.12 0.00 -1.53 0.00 0.00 36.38 33.74 2cr3 s VAL 41 CO 0.00 -0.01 1.73 1.67 -3.33 0.00 0.00 175.10 175.16 2cr3 n GLN 42 N 0.88 2.42 -2.61 1.54 -0.06 -1.26 0.55 117.38 118.83 2cr3 n GLN 42 Ca -0.19 0.88 -0.35 0.00 -2.00 0.00 0.00 57.00 55.34 2cr3 n GLN 42 Cb 0.57 -2.71 -0.04 0.00 -4.06 0.00 0.00 30.24 24.00 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 2.11 3.96 0.13 1.69 2.96 -0.50 -4.75 118.68 124.27 2cr3 s LEU 43 Ca 0.82 1.90 0.05 0.00 -0.22 0.00 0.00 54.13 56.68 2cr3 s LEU 43 Cb -0.60 -4.44 -0.04 0.00 0.50 0.00 0.00 46.19 41.60 2cr3 s LEU 43 CO 0.40 -0.59 -0.12 0.00 -1.32 0.00 0.00 176.35 174.71 2cr3 s ALA 44 N -1.93 1.45 0.33 5.97 0.00 -1.26 -4.91 121.76 121.40 2cr3 s ALA 44 Ca 0.63 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2cr3 s ALA 44 Cb -0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2cr3 s ALA 44 CO 0.20 0.03 0.34 -1.21 0.00 0.00 0.00 175.76 175.13 2cr3 s GLU 45 N -3.01 2.89 0.26 0.00 2.02 -1.26 -4.86 118.70 114.74 2cr3 s GLU 45 Ca 0.11 -1.17 -0.10 0.00 0.02 0.00 0.00 54.97 53.83 2cr3 s GLU 45 Cb -0.02 -2.61 0.04 0.00 0.10 0.00 0.00 34.13 31.64 2cr3 s GLU 45 CO 0.02 0.12 0.54 0.45 0.02 0.00 0.00 175.26 176.41 2cr3 n SER 46 N -1.45 -1.53 -0.51 -0.19 2.88 0.34 -4.90 113.62 108.26 2cr3 n SER 46 Ca -0.02 -2.05 0.43 0.00 -1.33 0.00 0.00 58.87 55.90 2cr3 n SER 46 Cb 0.59 2.54 0.76 0.00 -0.75 0.00 0.00 64.21 67.35 2cr3 n SER 46 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr3 h ASN 47 N 1.32 0.06 0.00 -3.46 7.08 -2.00 -2.62 115.58 115.96 2cr3 h ASN 47 Ca -0.22 0.03 -0.13 0.00 -3.08 0.00 0.00 56.30 52.89 2cr3 h ASN 47 Cb 0.83 0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 37.07 2cr3 h ASN 47 CO 0.28 -0.02 -1.36 0.54 -2.08 0.00 0.00 177.43 174.79 2cr3 n ARG 48 N -4.17 0.49 -2.14 4.14 1.74 -1.26 -4.86 116.66 110.60 2cr3 n ARG 48 Ca 0.36 0.20 -0.41 0.00 -0.77 0.00 0.00 57.85 57.23 2cr3 n ARG 48 Cb 1.60 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 31.66 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 -2.71 2.77 -0.16 0.55 2.01 -0.99 -1.89 115.64 115.23 2cr3 s THR 49 Ca -0.29 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 2cr3 s THR 49 Cb 0.07 -3.49 0.08 0.00 0.01 0.00 0.00 72.50 69.16 2cr3 s THR 49 CO 0.40 0.18 0.22 -0.60 -0.69 0.00 0.00 174.62 174.14 2cr3 s ARG 50 N -1.78 0.15 -0.40 4.92 6.06 0.28 -0.50 118.95 127.67 2cr3 s ARG 50 Ca 0.49 0.44 -0.13 0.00 -2.50 0.00 0.00 55.73 54.03 2cr3 s ARG 50 Cb -0.39 -0.67 0.03 0.00 0.06 0.00 0.00 34.95 33.98 2cr3 s ARG 50 CO 0.52 -0.48 0.26 0.42 -2.50 0.00 0.00 175.30 173.52 2cr3 s ILE 51 N 2.35 4.84 -1.22 4.11 1.01 -1.26 -0.02 121.20 131.00 2cr3 s ILE 51 Ca 0.05 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 59.95 2cr3 s ILE 51 Cb -0.14 -3.73 0.42 0.00 0.01 0.00 0.00 42.46 39.02 2cr3 s ILE 51 CO -0.10 -0.31 1.25 0.35 0.00 0.00 0.00 174.94 176.13 2cr3 n THR 52 N 5.06 1.10 0.00 2.92 -2.24 0.35 -4.93 114.28 116.54 2cr3 n THR 52 Ca -0.11 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2cr3 n THR 52 Cb 0.46 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.71 2.55 0.13 3.38 0.00 -1.26 -4.51 105.19 106.20 2cr3 n GLY 53 Ca 0.15 -0.67 0.01 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 0.49 -3.72 1.61 0.28 -1.26 -4.75 120.64 113.28 2cr3 n GLU 54 Ca 0.00 -0.97 -0.16 0.00 -0.16 0.00 0.00 57.16 55.87 2cr3 n GLU 54 Cb 0.00 -1.06 -0.16 0.00 1.43 0.00 0.00 31.44 31.65 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 -0.47 -0.01 -0.12 3.44 2.02 -1.26 0.21 118.70 122.51 2cr3 s GLU 55 Ca 0.04 0.34 -0.02 0.00 0.02 0.00 0.00 54.97 55.35 2cr3 s GLU 55 Cb 0.03 -0.31 -0.03 0.00 0.10 0.00 0.00 34.13 33.92 2cr3 s GLU 55 CO 0.04 -0.23 -0.05 0.08 0.02 0.00 0.00 175.26 175.11 2cr3 s VAL 56 N 1.58 3.80 -0.10 2.63 1.01 -1.09 -0.50 120.40 127.73 2cr3 s VAL 56 Ca -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2cr3 s VAL 56 Cb -0.12 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2cr3 s VAL 56 CO -0.04 0.54 -0.02 -0.70 0.00 0.00 0.00 175.10 174.88 2cr3 s GLU 57 N -0.18 0.92 -0.24 2.72 2.12 0.97 -0.00 118.70 125.00 2cr3 s GLU 57 Ca 0.03 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.29 2cr3 s GLU 57 Cb -0.13 -1.32 0.04 0.00 0.26 0.00 0.00 34.13 32.98 2cr3 s GLU 57 CO 0.03 -0.34 -0.12 0.08 -0.54 0.00 0.00 175.26 174.37 2cr3 s VAL 58 N 1.87 2.32 0.42 3.70 1.01 0.17 0.99 120.40 130.88 2cr3 s VAL 58 Ca 0.04 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 2cr3 s VAL 58 Cb -0.13 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 2cr3 s VAL 58 CO -0.06 0.18 1.02 -1.10 0.00 0.00 0.00 175.10 175.14 2cr3 s GLN 59 N 1.21 4.12 -1.50 2.72 -0.21 -0.79 -1.08 119.66 124.13 2cr3 s GLN 59 Ca -0.03 1.41 -0.06 0.00 0.02 0.00 0.00 55.36 56.70 2cr3 s GLN 59 Cb -0.17 -2.41 0.05 0.00 1.00 0.00 0.00 33.01 31.47 2cr3 s GLN 59 CO -0.07 -0.16 0.55 -3.47 -2.12 0.00 0.00 175.29 170.02 2cr3 n ASP 60 N -0.30 -1.40 -4.06 5.90 -0.08 -0.46 -4.74 116.55 111.40 2cr3 n ASP 60 Ca 0.06 -1.00 -0.37 0.00 -1.51 0.00 0.00 54.79 51.98 2cr3 n ASP 60 Cb 0.51 -3.01 0.06 0.00 2.34 0.00 0.00 41.12 41.01 2cr3 n ASP 60 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2cr3 n SER 61 N -2.89 -3.81 -3.93 1.67 3.41 -0.22 -4.00 113.62 103.86 2cr3 n SER 61 Ca -0.18 0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 2cr3 n SER 61 Cb 0.62 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.06 0.14 -2.00 -3.33 -7.23 -1.26 -1.24 120.40 103.42 2cr3 s VAL 62 Ca 0.41 -1.35 0.10 0.00 -1.81 0.00 0.00 61.98 59.33 2cr3 s VAL 62 Cb -0.03 -1.50 0.29 0.00 0.56 0.00 0.00 36.38 35.69 2cr3 s VAL 62 CO 0.71 -0.62 1.04 -0.81 -0.31 0.00 0.00 175.10 175.11 2cr3 n PRO 63 N -0.07 0.49 -0.05 4.82 -0.04 -1.22 -2.16 135.00 136.77 2cr3 n PRO 63 Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2cr3 n PRO 63 Cb 0.62 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.82 2.04 0.14 0.55 0.00 -1.26 -4.42 120.51 116.74 2cr3 n ALA 64 Ca 0.08 -0.76 0.06 0.00 0.00 0.00 0.00 53.44 52.81 2cr3 n ALA 64 Cb 0.03 -0.29 0.04 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.08 0.00 3.32 -1.84 -3.47 116.42 112.36 2cr3 h ASP 65 Ca -0.24 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.56 2cr3 h ASP 65 Cb 1.45 0.00 0.14 0.00 0.22 0.00 0.00 39.33 41.14 2cr3 h ASP 65 CO 0.01 0.30 -0.30 -1.54 -1.72 0.00 0.00 179.24 175.99 2cr3 n SER 66 N -3.05 -3.09 0.00 6.45 3.41 -1.19 -4.95 113.62 111.21 2cr3 n SER 66 Ca 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2cr3 n SER 66 Cb 0.67 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2cr3 n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr3 n GLY 67 N 2.36 0.73 3.04 5.00 0.00 -1.11 -5.00 105.19 110.21 2cr3 n GLY 67 Ca 0.06 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 4.89 0.44 0.99 2.96 -1.26 -0.87 118.68 125.83 2cr3 s LEU 68 Ca 0.00 -2.68 -0.22 0.00 -0.22 0.00 0.00 54.13 51.01 2cr3 s LEU 68 Cb 0.00 -1.75 -0.08 0.00 0.50 0.00 0.00 46.19 44.85 2cr3 s LEU 68 CO 0.00 -0.36 1.07 -0.31 -1.32 0.00 0.00 176.35 175.43 2cr3 s TYR 69 N 0.19 3.10 -0.12 5.38 1.51 -0.48 -1.70 117.35 125.22 2cr3 s TYR 69 Ca 0.15 1.60 -0.04 0.00 -1.01 0.00 0.00 57.07 57.77 2cr3 s TYR 69 Cb -0.22 -3.15 0.06 0.00 -0.11 0.00 0.00 41.96 38.53 2cr3 s TYR 69 CO -0.03 -0.86 0.17 0.00 -1.11 0.00 0.00 175.55 173.72 2cr3 s ALA 70 N -1.75 -0.16 -0.23 3.71 0.00 -0.18 0.18 121.76 123.34 2cr3 s ALA 70 Ca 0.62 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.93 2cr3 s ALA 70 Cb -0.21 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2cr3 s ALA 70 CO 0.26 -0.75 0.15 0.00 0.00 0.00 0.00 175.76 175.43 2cr3 s VAL 72 N 0.92 2.60 -0.12 0.00 1.01 0.93 -0.93 120.40 124.80 2cr3 s VAL 72 Ca 0.08 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2cr3 s VAL 72 Cb -0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2cr3 s VAL 72 CO 0.03 0.49 0.04 0.42 0.00 0.00 0.00 175.10 176.08 2cr3 s THR 73 N 1.33 4.62 -0.40 3.92 -4.23 -0.97 0.17 115.64 120.08 2cr3 s THR 73 Ca 0.05 -0.12 -0.20 0.00 -1.18 0.00 0.00 61.69 60.24 2cr3 s THR 73 Cb -0.14 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.71 2cr3 s THR 73 CO -0.08 0.56 0.59 -0.44 -0.54 0.00 0.00 174.62 174.70 2cr3 s SER 74 N -0.45 6.32 0.10 3.99 0.01 -0.92 -2.49 113.70 120.27 2cr3 s SER 74 Ca 0.09 -0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.20 2cr3 s SER 74 Cb -0.12 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2cr3 s SER 74 CO 0.02 -0.65 -0.17 -0.94 0.41 0.00 0.00 173.24 171.90 2cr3 s SER 75 N 1.89 2.19 0.00 2.44 1.04 -1.26 -0.55 113.70 119.45 2cr3 s SER 75 Ca 0.21 -0.71 0.16 0.00 0.48 0.00 0.00 55.95 56.09 2cr3 s SER 75 Cb -0.15 -0.10 0.90 0.00 0.10 0.00 0.00 66.02 66.78 2cr3 s SER 75 CO 0.16 -0.03 1.36 -0.81 0.98 0.00 0.00 173.24 174.90 2cr3 n PRO 76 N 0.95 0.45 -0.00 4.02 -0.04 -1.26 -1.91 135.00 137.21 2cr3 n PRO 76 Ca -0.19 0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 2cr3 n PRO 76 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.04 0.64 0.00 3.54 7.64 -1.26 -5.07 113.62 118.07 2cr3 n SER 77 Ca 0.11 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.38 2cr3 n SER 77 Cb 0.06 1.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 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 1.26 4.22 3.64 0.23 0.00 -0.80 -5.08 105.19 108.66 2cr3 n GLY 78 Ca 0.01 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 6.64 0.59 1.61 1.04 -1.26 -4.21 113.70 118.11 2cr3 s SER 79 Ca 0.00 1.65 -0.02 0.00 0.48 0.00 0.00 55.95 58.05 2cr3 s SER 79 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.62 2cr3 s SER 79 CO 0.00 -1.03 0.85 -0.62 0.98 0.00 0.00 173.24 173.41 2cr3 s ASP 80 N 3.16 5.27 -0.08 7.02 -1.08 -1.04 -4.90 116.67 125.02 2cr3 s ASP 80 Ca 0.64 0.26 -0.06 0.00 -0.52 0.00 0.00 52.55 52.87 2cr3 s ASP 80 Cb -0.24 -1.15 0.03 0.00 -1.46 0.00 0.00 42.92 40.11 2cr3 s ASP 80 CO 0.24 -1.20 0.20 -0.89 0.52 0.00 0.00 175.17 174.04 2cr3 s THR 81 N -2.90 -0.02 -0.14 1.71 2.01 -1.26 -2.29 115.64 112.75 2cr3 s THR 81 Ca 0.56 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 2cr3 s THR 81 Cb -0.10 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.14 2cr3 s THR 81 CO 0.41 0.02 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.40 2cr3 s THR 82 N 0.49 1.16 0.40 -0.82 2.01 -0.11 -4.93 115.64 113.85 2cr3 s THR 82 Ca -0.03 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 2cr3 s THR 82 Cb -0.05 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2cr3 s THR 82 CO -0.02 0.26 0.68 -0.31 -0.69 0.00 0.00 174.62 174.54 2cr3 s TYR 83 N 1.63 3.52 -0.25 4.92 1.51 -1.24 -0.79 117.35 126.65 2cr3 s TYR 83 Ca 0.03 0.67 -0.02 0.00 -1.01 0.00 0.00 57.07 56.74 2cr3 s TYR 83 Cb -0.14 -2.16 0.13 0.00 -0.11 0.00 0.00 41.96 39.68 2cr3 s TYR 83 CO -0.08 -0.07 0.37 -0.06 -1.11 0.00 0.00 175.55 174.59 2cr3 s PHE 84 N -2.47 -0.79 -0.75 2.71 0.40 0.13 -2.05 117.98 115.15 2cr3 s PHE 84 Ca 0.45 0.64 -0.26 0.00 -0.60 0.00 0.00 56.93 57.16 2cr3 s PHE 84 Cb -0.10 -0.07 0.04 0.00 0.51 0.00 0.00 43.02 43.40 2cr3 s PHE 84 CO 0.39 -0.77 1.22 0.45 0.70 0.00 0.00 175.22 177.21 2cr3 s SER 85 N 2.52 6.20 0.08 1.36 0.15 0.24 -1.39 113.70 122.86 2cr3 s SER 85 Ca 0.12 -0.69 -0.07 0.00 0.70 0.00 0.00 55.95 56.00 2cr3 s SER 85 Cb -0.15 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2cr3 s SER 85 CO -0.19 -1.71 0.35 -0.69 1.20 0.00 0.00 173.24 172.21 2cr3 s VAL 86 N 5.24 5.18 -0.25 4.45 1.01 -0.05 0.85 120.40 136.83 2cr3 s VAL 86 Ca 0.33 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 2cr3 s VAL 86 Cb -0.09 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.79 2cr3 s VAL 86 CO 0.11 0.21 0.25 0.21 0.00 0.00 0.00 175.10 175.89 2cr3 s ASN 87 N -2.01 1.61 -0.31 3.32 2.47 -1.22 -2.77 114.94 116.03 2cr3 s ASN 87 Ca 0.35 -0.51 -0.12 0.00 0.42 0.00 0.00 52.86 53.00 2cr3 s ASN 87 Cb -0.13 0.42 -0.03 0.00 -1.45 0.00 0.00 41.25 40.06 2cr3 s ASN 87 CO 0.20 -0.36 0.22 -0.69 -3.72 0.00 0.00 177.10 172.75 2cr3 s VAL 88 N 2.34 5.29 -0.23 -5.21 1.01 -1.26 -0.26 120.40 122.08 2cr3 s VAL 88 Ca 0.08 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 2cr3 s VAL 88 Cb -0.15 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.67 2cr3 s VAL 88 CO -0.23 0.11 0.73 -0.55 0.00 0.00 0.00 175.10 175.15 2cr3 s SER 89 N 1.74 -0.72 0.55 3.32 0.15 0.12 -3.45 113.70 115.40 2cr3 s SER 89 Ca 0.07 1.28 0.22 0.00 0.70 0.00 0.00 55.95 58.22 2cr3 s SER 89 Cb -0.17 1.25 1.51 0.00 -1.71 0.00 0.00 66.02 66.90 2cr3 s SER 89 CO 0.11 -0.32 2.19 -0.78 1.20 0.00 0.00 173.24 175.64 2cr3 h ASP 90 N 4.55 0.00 -3.36 5.45 1.82 -1.91 -3.32 116.42 119.65 2cr3 h ASP 90 Ca -0.28 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 55.78 2cr3 h ASP 90 Cb 1.16 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.10 2cr3 h ASP 90 CO 0.12 0.01 0.17 0.00 -1.61 0.00 0.00 179.24 177.93 2cr3 s ALA 91 N -4.84 3.42 0.15 -0.78 0.00 -1.26 -4.98 121.76 113.47 2cr3 s ALA 91 Ca -0.05 0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.05 2cr3 s ALA 91 Cb 0.16 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 2cr3 s ALA 91 CO 0.62 -0.33 -0.24 -0.51 0.00 0.00 0.00 175.76 175.30 2cr3 s LEU 92 N 1.36 2.37 0.52 0.00 1.02 -1.26 -5.01 118.68 117.67 2cr3 s LEU 92 Ca 0.36 -0.79 0.30 0.00 0.02 0.00 0.00 54.13 54.02 2cr3 s LEU 92 Cb -0.17 -1.09 1.27 0.00 0.02 0.00 0.00 46.19 46.22 2cr3 s LEU 92 CO 0.15 0.11 1.96 1.55 0.02 0.00 0.00 176.35 180.14 2cr3 h PRO 93 N 3.61 0.00 -6.60 1.29 0.13 -1.98 -3.45 132.00 124.99 2cr3 h PRO 93 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 2cr3 h PRO 93 Cb 1.19 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.52 2cr3 h PRO 93 CO 0.44 0.08 -0.64 -1.13 -0.23 0.00 0.00 178.00 176.52 2cr3 n SER 94 N -3.24 -2.10 -3.64 1.44 3.41 -1.26 -5.01 113.62 103.22 2cr3 n SER 94 Ca 0.00 0.46 -0.03 0.00 -0.26 0.00 0.00 58.87 59.05 2cr3 n SER 94 Cb 0.33 -1.15 -0.04 0.00 -0.26 0.00 0.00 64.21 63.09 2cr3 n SER 94 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cr3 s GLY 95 N -1.59 0.08 0.00 5.00 0.00 -1.26 -5.00 107.32 104.55 2cr3 s GLY 95 Ca 0.60 2.82 0.15 0.00 0.00 0.00 0.00 44.72 48.28 2cr3 s GLY 95 CO 0.64 1.14 1.40 -1.55 0.00 0.00 0.00 173.10 174.73 2cr3 n PRO 96 N 0.58 0.26 -1.69 2.90 -0.04 -1.26 -4.83 135.00 130.93 2cr3 n PRO 96 Ca -0.01 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 2cr3 n PRO 96 Cb 0.59 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 2cr3 n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cr3 n SER 97 N -1.24 2.71 -3.55 3.54 3.41 -1.26 -5.00 113.62 112.23 2cr3 n SER 97 Ca 0.08 1.19 -0.15 0.00 -0.26 0.00 0.00 58.87 59.72 2cr3 n SER 97 Cb 0.11 -1.46 -0.05 0.00 -0.26 0.00 0.00 64.21 62.54 2cr3 n SER 97 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cr3 s SER 98 N -0.12 -0.52 0.00 4.04 1.04 -1.26 -5.22 113.70 111.65 2cr3 s SER 98 Ca 0.60 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2cr3 s SER 98 Cb -0.60 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2cr3 s SER 98 CO 0.58 -0.69 0.24 0.61 0.98 0.00 0.00 173.24 174.96