#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr6 s SER 2 N 0.00 -0.48 0.30 1.61 1.04 -1.26 -5.19 113.70 109.73 2cr6 s SER 2 Ca 0.00 0.85 0.05 0.00 0.48 0.00 0.00 55.95 57.33 2cr6 s SER 2 Cb 0.00 1.02 -0.03 0.00 0.10 0.00 0.00 66.02 67.10 2cr6 s SER 2 CO 0.00 -0.14 0.24 -0.94 0.98 0.00 0.00 173.24 173.38 2cr6 s SER 3 N 0.74 1.36 0.44 7.02 1.04 -1.26 -5.18 113.70 117.85 2cr6 s SER 3 Ca -0.02 -1.67 0.04 0.00 0.48 0.00 0.00 55.95 54.77 2cr6 s SER 3 Cb -0.04 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 2cr6 s SER 3 CO -0.11 -1.01 0.13 -0.83 0.98 0.00 0.00 173.24 172.41 2cr6 s GLY 4 N -3.33 2.77 -0.28 7.32 0.00 -1.26 -5.17 107.32 107.37 2cr6 s GLY 4 Ca 0.40 -1.01 -0.21 0.00 0.00 0.00 0.00 44.72 43.90 2cr6 s GLY 4 CO 0.24 -1.87 0.95 -0.45 0.00 0.00 0.00 173.10 171.97 2cr6 s SER 5 N -3.66 -0.55 0.52 1.64 0.15 -1.26 -5.18 113.70 105.37 2cr6 s SER 5 Ca 0.20 0.96 -0.02 0.00 0.70 0.00 0.00 55.95 57.78 2cr6 s SER 5 Cb 0.01 1.09 0.01 0.00 -1.71 0.00 0.00 66.02 65.42 2cr6 s SER 5 CO 0.14 -0.16 0.78 -0.94 1.20 0.00 0.00 173.24 174.26 2cr6 s SER 6 N 0.79 5.66 0.00 5.45 1.04 -1.26 -4.98 113.70 120.40 2cr6 s SER 6 Ca -0.03 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2cr6 s SER 6 Cb -0.05 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.54 2cr6 s SER 6 CO -0.10 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2cr6 n GLY 7 N -2.33 1.09 3.07 7.32 0.00 -1.26 -5.15 105.19 107.93 2cr6 n GLY 7 Ca 0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2cr6 n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2cr6 s LEU 8 N 0.00 2.39 0.07 0.99 2.34 -1.26 -5.14 118.68 118.07 2cr6 s LEU 8 Ca 0.00 -0.79 -0.30 0.00 0.06 0.00 0.00 54.13 53.10 2cr6 s LEU 8 Cb 0.00 0.06 -0.05 0.00 -0.56 0.00 0.00 46.19 45.65 2cr6 s LEU 8 CO 0.00 -0.43 1.00 -0.69 -1.06 0.00 0.00 176.35 175.17 2cr6 s VAL 9 N -2.80 4.56 0.05 1.48 1.01 -1.26 -4.96 120.40 118.49 2cr6 s VAL 9 Ca -0.01 1.99 -0.09 0.00 0.00 0.00 0.00 61.98 63.87 2cr6 s VAL 9 Cb -0.00 -4.27 -0.31 0.00 0.00 0.00 0.00 36.38 31.79 2cr6 s VAL 9 CO -0.05 0.24 1.07 0.06 0.00 0.00 0.00 175.10 176.43 2cr6 h GLN 10 N 6.08 0.37 0.00 2.72 3.07 -2.00 -3.49 115.11 121.87 2cr6 h GLN 10 Ca -0.42 -0.64 0.00 0.00 0.09 0.00 0.00 58.65 57.68 2cr6 h GLN 10 Cb 1.21 0.24 0.00 0.00 0.08 0.00 0.00 27.48 29.01 2cr6 h GLN 10 CO 0.74 1.30 0.00 0.41 0.09 0.00 0.00 178.83 181.37 2cr6 n GLY 11 N 1.61 3.15 3.73 0.06 0.00 -1.26 -4.66 105.19 107.82 2cr6 n GLY 11 Ca -0.12 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2cr6 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr6 s ARG 12 N 0.00 2.17 -0.15 1.61 1.81 -1.26 -5.02 118.95 118.12 2cr6 s ARG 12 Ca 0.00 1.64 -0.06 0.00 -1.72 0.00 0.00 55.73 55.58 2cr6 s ARG 12 Cb 0.00 -1.85 -0.04 0.00 -0.45 0.00 0.00 34.95 32.61 2cr6 s ARG 12 CO 0.00 -1.78 0.07 0.50 -0.68 0.00 0.00 175.30 173.41 2cr6 s ARG 13 N -4.06 3.65 -0.06 3.54 6.06 -1.26 -4.71 118.95 122.11 2cr6 s ARG 13 Ca 0.71 -0.30 0.04 0.00 -2.50 0.00 0.00 55.73 53.68 2cr6 s ARG 13 Cb -0.26 -3.12 -0.02 0.00 0.06 0.00 0.00 34.95 31.60 2cr6 s ARG 13 CO 0.46 0.49 -0.16 0.08 -2.50 0.00 0.00 175.30 173.66 2cr6 s VAL 14 N -0.23 2.88 -0.27 7.11 1.01 -1.26 -4.30 120.40 125.34 2cr6 s VAL 14 Ca 0.08 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2cr6 s VAL 14 Cb -0.12 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.23 2cr6 s VAL 14 CO 0.01 0.58 0.05 -1.00 0.00 0.00 0.00 175.10 174.74 2cr6 s HIS 15 N -0.56 1.89 -0.59 5.22 3.76 -1.02 -4.73 115.29 119.25 2cr6 s HIS 15 Ca 0.08 -1.66 -0.28 0.00 -0.15 0.00 0.00 55.06 53.05 2cr6 s HIS 15 Cb -0.11 -1.64 -0.11 0.00 1.11 0.00 0.00 32.58 31.83 2cr6 s HIS 15 CO 0.01 -0.80 2.47 -0.89 -0.85 0.00 0.00 174.74 174.68 2cr6 n ILE 16 N 4.80 -0.04 0.12 0.60 2.08 -1.26 -2.28 119.36 123.37 2cr6 n ILE 16 Ca -0.05 -0.59 -0.06 0.00 0.56 0.00 0.00 62.75 62.61 2cr6 n ILE 16 Cb 0.44 -2.22 -0.03 0.00 -0.75 0.00 0.00 39.64 37.08 2cr6 n ILE 16 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2cr6 h ILE 17 N 7.73 0.00 -2.92 1.39 2.04 -1.32 -3.41 117.51 121.02 2cr6 h ILE 17 Ca -0.20 -0.57 -0.61 0.00 1.00 0.00 0.00 64.86 64.48 2cr6 h ILE 17 Cb 1.28 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.95 2cr6 h ILE 17 CO 1.20 0.00 -0.66 -1.61 0.00 0.00 0.00 178.15 177.08 2cr6 s GLU 18 N -2.80 2.12 0.97 2.37 2.02 0.72 -4.95 118.70 119.15 2cr6 s GLU 18 Ca -0.06 -3.08 -0.13 0.00 0.02 0.00 0.00 54.97 51.72 2cr6 s GLU 18 Cb 0.01 -2.97 0.03 0.00 0.10 0.00 0.00 34.13 31.29 2cr6 s GLU 18 CO 0.17 -1.31 0.28 -3.47 0.02 0.00 0.00 175.26 170.95 2cr6 n ASP 19 N 2.16 -2.38 -3.70 -0.19 -0.08 -1.26 -0.72 116.55 110.37 2cr6 n ASP 19 Ca 0.22 0.28 -0.26 0.00 -1.51 0.00 0.00 54.79 53.52 2cr6 n ASP 19 Cb 0.38 -1.15 0.22 0.00 2.34 0.00 0.00 41.12 42.91 2cr6 n ASP 19 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2cr6 n LEU 20 N -1.00 -1.22 0.00 -2.67 4.77 -1.26 -4.77 117.00 110.85 2cr6 n LEU 20 Ca 0.06 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2cr6 n LEU 20 Cb 0.54 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2cr6 n LEU 20 CO 0.51 -3.74 0.00 -1.84 -1.33 0.00 0.00 177.39 170.99 2cr6 n GLU 21 N -3.74 0.00 0.00 3.23 0.28 -1.26 -4.90 120.64 114.25 2cr6 n GLU 21 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2cr6 n GLU 21 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 2cr6 n GLU 21 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2cr6 n ASP 22 N -1.60 0.00 -3.74 -1.84 5.68 -1.26 -4.09 116.55 109.69 2cr6 n ASP 22 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2cr6 n ASP 22 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 2cr6 n ASP 22 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2cr6 s VAL 23 N -2.00 -0.00 -0.27 2.12 1.01 -0.84 -4.97 120.40 115.44 2cr6 s VAL 23 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2cr6 s VAL 23 Cb 0.00 -0.52 0.14 0.00 0.00 0.00 0.00 36.38 35.99 2cr6 s VAL 23 CO 0.00 0.01 0.32 1.51 0.00 0.00 0.00 175.10 176.94 2cr6 s ASP 24 N 0.33 1.12 0.10 3.32 -4.77 -1.25 -0.08 116.67 115.45 2cr6 s ASP 24 Ca -0.01 -0.44 -0.11 0.00 -3.30 0.00 0.00 52.55 48.68 2cr6 s ASP 24 Cb -0.03 0.72 0.01 0.00 -1.09 0.00 0.00 42.92 42.53 2cr6 s ASP 24 CO -0.01 -0.36 0.26 0.68 0.70 0.00 0.00 175.17 176.44 2cr6 s VAL 25 N 2.43 0.12 0.58 2.11 -7.23 -1.14 -5.00 120.40 112.27 2cr6 s VAL 25 Ca 0.10 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.09 2cr6 s VAL 25 Cb -0.14 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2cr6 s VAL 25 CO -0.27 -0.54 1.21 0.00 -0.31 0.00 0.00 175.10 175.20 2cr6 n GLN 26 N -0.12 1.30 -1.84 4.82 0.00 -1.26 -2.73 117.38 117.55 2cr6 n GLN 26 Ca -0.15 0.49 -0.37 0.00 0.00 0.00 0.00 57.00 56.97 2cr6 n GLN 26 Cb 0.63 -2.42 0.05 0.00 0.00 0.00 0.00 30.24 28.50 2cr6 n GLN 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2cr6 s GLU 27 N -2.93 2.82 0.00 2.61 4.04 0.96 -2.80 118.70 123.39 2cr6 s GLU 27 Ca 0.75 2.02 0.00 0.00 0.04 0.00 0.00 54.97 57.79 2cr6 s GLU 27 Cb -0.42 -1.96 0.00 0.00 0.02 0.00 0.00 34.13 31.77 2cr6 s GLU 27 CO 0.47 -1.38 0.00 0.41 -1.84 0.00 0.00 175.26 172.91 2cr6 n GLY 28 N 0.75 2.53 1.96 -3.83 0.00 0.75 -4.64 105.19 102.70 2cr6 n GLY 28 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 2cr6 n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr6 n SER 29 N 0.00 0.26 -4.25 1.61 7.64 -1.12 -1.69 113.62 116.07 2cr6 n SER 29 Ca 0.00 -1.35 -0.39 0.00 1.01 0.00 0.00 58.87 58.14 2cr6 n SER 29 Cb 0.00 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.64 2cr6 n SER 29 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr6 s SER 30 N -3.33 5.47 -0.49 6.43 1.04 -1.26 -2.97 113.70 118.59 2cr6 s SER 30 Ca 0.37 -1.48 -0.21 0.00 0.48 0.00 0.00 55.95 55.11 2cr6 s SER 30 Cb -0.01 -1.92 0.04 0.00 0.10 0.00 0.00 66.02 64.22 2cr6 s SER 30 CO 0.25 -0.48 0.71 0.00 0.98 0.00 0.00 173.24 174.71 2cr6 s ALA 31 N 1.37 3.32 0.13 5.32 0.00 -1.19 -4.85 121.76 125.85 2cr6 s ALA 31 Ca 0.02 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 2cr6 s ALA 31 Cb -0.22 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 2cr6 s ALA 31 CO 0.01 -2.02 1.11 0.99 0.00 0.00 0.00 175.76 175.84 2cr6 s THR 32 N 3.03 4.02 -0.49 0.00 2.01 -1.25 -3.35 115.64 119.60 2cr6 s THR 32 Ca 0.22 1.64 0.03 0.00 0.31 0.00 0.00 61.69 63.88 2cr6 s THR 32 Cb -0.16 -4.05 0.14 0.00 0.01 0.00 0.00 72.50 68.45 2cr6 s THR 32 CO 0.16 0.23 0.30 -0.36 -0.69 0.00 0.00 174.62 174.26 2cr6 s PHE 33 N 0.19 2.29 0.30 4.92 0.08 -0.44 -4.90 117.98 120.42 2cr6 s PHE 33 Ca 0.52 -2.66 -0.23 0.00 0.12 0.00 0.00 56.93 54.68 2cr6 s PHE 33 Cb -0.28 -2.02 -0.09 0.00 -0.57 0.00 0.00 43.02 40.05 2cr6 s PHE 33 CO 0.33 -0.74 0.87 0.50 -0.10 0.00 0.00 175.22 176.08 2cr6 s ARG 34 N -0.07 4.44 -0.30 0.44 3.52 -1.26 -2.93 118.95 122.80 2cr6 s ARG 34 Ca 0.21 1.15 -0.13 0.00 -0.13 0.00 0.00 55.73 56.83 2cr6 s ARG 34 Cb -0.18 -2.76 0.14 0.00 -1.56 0.00 0.00 34.95 30.59 2cr6 s ARG 34 CO -0.05 0.29 0.84 0.00 -0.81 0.00 0.00 175.30 175.57 2cr6 s ARG 36 N 2.47 4.22 -0.03 0.00 3.52 0.10 -2.89 118.95 126.35 2cr6 s ARG 36 Ca -0.05 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.23 2cr6 s ARG 36 Cb -0.08 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 2cr6 s ARG 36 CO -0.18 -0.25 -0.04 0.96 -0.81 0.00 0.00 175.30 174.99 2cr6 s ILE 37 N 1.93 0.41 0.25 4.11 -5.25 -0.60 -0.20 121.20 121.84 2cr6 s ILE 37 Ca 0.30 -0.11 -0.07 0.00 -0.99 0.00 0.00 60.65 59.78 2cr6 s ILE 37 Cb -0.16 -0.42 -0.06 0.00 2.95 0.00 0.00 42.46 44.77 2cr6 s ILE 37 CO 0.11 0.17 0.53 -0.55 -1.79 0.00 0.00 174.94 173.41 2cr6 s SER 38 N 0.57 6.53 1.15 4.36 0.15 -0.97 -4.21 113.70 121.29 2cr6 s SER 38 Ca -0.07 0.80 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 2cr6 s SER 38 Cb -0.10 -2.18 0.26 0.00 -1.71 0.00 0.00 66.02 62.29 2cr6 s SER 38 CO -0.00 -0.11 1.10 -2.16 1.20 0.00 0.00 173.24 173.27 2cr6 s PRO 39 N -3.11 -0.78 0.00 5.44 0.04 -1.26 -2.45 135.00 132.88 2cr6 s PRO 39 Ca 0.45 0.09 0.31 0.00 0.04 0.00 0.00 61.00 61.89 2cr6 s PRO 39 Cb -0.11 -1.63 1.80 0.00 0.04 0.00 0.00 34.50 34.59 2cr6 s PRO 39 CO 0.25 -3.45 2.14 0.00 0.04 0.00 0.00 177.00 175.99 2cr6 n ALA 40 N -4.60 2.62 -2.04 8.56 0.00 -1.26 -3.22 120.51 120.57 2cr6 n ALA 40 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 2cr6 n ALA 40 Cb 0.59 -1.50 0.10 0.00 0.00 0.00 0.00 19.45 18.64 2cr6 n ALA 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2cr6 n ASN 41 N -1.03 2.40 -4.73 0.00 4.13 -1.26 -3.14 115.26 111.63 2cr6 n ASN 41 Ca 0.22 -3.25 -0.39 0.00 1.68 0.00 0.00 54.58 52.84 2cr6 n ASN 41 Cb 0.12 -0.43 -0.05 0.00 -1.54 0.00 0.00 39.78 37.88 2cr6 n ASN 41 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2cr6 s TYR 42 N -2.76 3.59 0.00 3.10 6.14 -1.20 -5.03 117.35 121.19 2cr6 s TYR 42 Ca 0.39 1.12 0.00 0.00 0.64 0.00 0.00 57.07 59.22 2cr6 s TYR 42 Cb 0.38 -2.66 0.00 0.00 0.42 0.00 0.00 41.96 40.10 2cr6 s TYR 42 CO -0.06 0.20 0.00 -0.85 0.64 0.00 0.00 175.55 175.48 2cr6 n GLU 43 N 3.41 0.00 -1.10 4.97 0.28 -1.26 -4.72 120.64 122.22 2cr6 n GLU 43 Ca -0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.65 2cr6 n GLU 43 Cb 0.51 0.00 0.23 0.00 1.43 0.00 0.00 31.44 33.61 2cr6 n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2cr6 s PRO 44 N -2.00 -0.92 0.08 3.44 0.04 -1.26 -5.17 135.00 129.21 2cr6 s PRO 44 Ca 0.00 0.04 0.10 0.00 0.04 0.00 0.00 61.00 61.18 2cr6 s PRO 44 Cb 0.00 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 2cr6 s PRO 44 CO 0.00 -3.53 -0.25 0.14 0.04 0.00 0.00 177.00 173.40 2cr6 s VAL 45 N -3.00 2.33 0.02 -0.36 -7.23 -1.26 -5.02 120.40 105.87 2cr6 s VAL 45 Ca 0.70 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.39 2cr6 s VAL 45 Cb -0.12 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2cr6 s VAL 45 CO 0.56 0.25 0.02 -1.00 -0.31 0.00 0.00 175.10 174.62 2cr6 s HIS 46 N -0.94 3.11 -0.03 2.82 3.76 -1.14 -5.04 115.29 117.84 2cr6 s HIS 46 Ca 0.13 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.14 2cr6 s HIS 46 Cb -0.10 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.95 2cr6 s HIS 46 CO 0.04 0.49 -0.01 -1.58 -0.85 0.00 0.00 174.74 172.83 2cr6 s TRP 47 N -1.17 0.41 0.22 1.40 0.52 -1.26 -1.60 118.94 117.47 2cr6 s TRP 47 Ca 0.22 -0.05 0.05 0.00 0.02 0.00 0.00 56.10 56.34 2cr6 s TRP 47 Cb -0.12 -0.44 -0.05 0.00 -1.15 0.00 0.00 33.47 31.71 2cr6 s TRP 47 CO 0.13 -0.13 -0.05 -0.06 0.02 0.00 0.00 176.95 176.86 2cr6 s PHE 48 N 0.86 1.62 -0.22 -1.98 0.40 -1.18 -0.07 117.98 117.41 2cr6 s PHE 48 Ca -0.09 -0.80 -0.04 0.00 -0.60 0.00 0.00 56.93 55.40 2cr6 s PHE 48 Cb -0.13 -0.90 0.09 0.00 0.51 0.00 0.00 43.02 42.60 2cr6 s PHE 48 CO -0.01 0.11 0.18 -1.17 0.70 0.00 0.00 175.22 175.03 2cr6 s LEU 49 N -3.32 0.11 0.00 -0.37 1.98 -0.32 -0.09 118.68 116.66 2cr6 s LEU 49 Ca 0.26 -0.59 0.00 0.00 -2.89 0.00 0.00 54.13 50.91 2cr6 s LEU 49 Cb 0.04 0.10 0.00 0.00 0.66 0.00 0.00 46.19 46.99 2cr6 s LEU 49 CO 0.08 -0.36 0.00 0.47 -1.89 0.00 0.00 176.35 174.65 2cr6 n ASP 50 N 5.30 0.00 -2.72 3.68 9.92 -1.03 -2.24 116.55 129.46 2cr6 n ASP 50 Ca -0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 2cr6 n ASP 50 Cb 0.48 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.06 2cr6 n ASP 50 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2cr6 n LYS 51 N 0.00 1.44 -3.70 -1.24 -0.00 -1.26 -5.00 118.16 108.40 2cr6 n LYS 51 Ca 0.00 -2.04 -0.11 0.00 -0.00 0.00 0.00 58.31 56.16 2cr6 n LYS 51 Cb 0.00 -0.29 -0.10 0.00 -0.00 0.00 0.00 35.03 34.64 2cr6 n LYS 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2cr6 s THR 52 N -1.15 -0.02 0.67 0.58 2.01 -0.95 -5.16 115.64 111.62 2cr6 s THR 52 Ca 0.17 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.08 2cr6 s THR 52 Cb 0.41 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 72.28 2cr6 s THR 52 CO -0.09 0.03 1.11 -2.16 -0.69 0.00 0.00 174.62 172.82 2cr6 s PRO 53 N 1.14 2.77 -0.03 4.92 0.04 -1.26 -1.18 135.00 141.40 2cr6 s PRO 53 Ca -0.07 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.38 2cr6 s PRO 53 Cb -0.07 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 2cr6 s PRO 53 CO -0.10 -1.27 -0.13 -0.51 0.04 0.00 0.00 177.00 175.02 2cr6 s LEU 54 N -4.93 1.87 0.01 -3.56 1.43 0.91 -4.86 118.68 109.54 2cr6 s LEU 54 Ca 0.67 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2cr6 s LEU 54 Cb -0.20 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 2cr6 s LEU 54 CO 0.42 0.12 -0.01 -1.00 0.23 0.00 0.00 176.35 176.11 2cr6 s HIS 55 N 0.06 0.09 0.26 0.29 3.76 -1.26 -4.21 115.29 114.28 2cr6 s HIS 55 Ca -0.02 -0.19 -0.31 0.00 -0.15 0.00 0.00 55.06 54.39 2cr6 s HIS 55 Cb -0.10 -0.07 -0.13 0.00 1.11 0.00 0.00 32.58 33.40 2cr6 s HIS 55 CO 0.01 -0.07 1.38 0.00 -0.85 0.00 0.00 174.74 175.21 2cr6 n ALA 56 N 2.55 1.11 -3.00 -1.40 0.00 -1.26 -4.60 120.51 113.91 2cr6 n ALA 56 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2cr6 n ALA 56 Cb 0.58 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2cr6 n ALA 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2cr6 n ASN 57 N 1.91 0.00 -0.15 0.00 4.05 -0.31 -4.89 115.26 115.86 2cr6 n ASN 57 Ca 0.10 -0.88 0.28 0.00 0.45 0.00 0.00 54.58 54.53 2cr6 n ASN 57 Cb 0.32 0.00 0.72 0.00 1.23 0.00 0.00 39.78 42.05 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 2cr6 h GLU 58 N 0.00 0.00 0.00 1.20 4.81 -2.01 -3.03 114.58 115.54 2cr6 h GLU 58 Ca 0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 2cr6 h GLU 58 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2cr6 h GLU 58 CO 0.00 0.00 -2.06 1.28 -0.73 0.00 0.00 179.01 177.50 2cr6 n LEU 59 N -4.26 1.36 -4.76 1.64 4.77 -1.26 -4.99 117.00 109.50 2cr6 n LEU 59 Ca 0.17 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 2cr6 n LEU 59 Cb 0.92 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2cr6 n LEU 59 CO 0.38 0.40 1.00 0.20 -1.33 0.00 0.00 177.39 178.05 2cr6 s ASN 60 N -6.68 6.76 -0.05 -1.43 -0.87 -1.15 -2.70 114.94 108.82 2cr6 s ASN 60 Ca -0.26 2.66 0.00 0.00 -1.57 0.00 0.00 52.86 53.68 2cr6 s ASN 60 Cb 0.10 -2.64 0.02 0.00 -0.02 0.00 0.00 41.25 38.71 2cr6 s ASN 60 CO 0.33 -0.57 -0.03 -1.61 -2.57 0.00 0.00 177.10 172.66 2cr6 s GLU 61 N -1.34 0.74 -0.20 -0.60 8.01 -1.04 -1.16 118.70 123.11 2cr6 s GLU 61 Ca 0.52 -0.03 -0.01 0.00 0.01 0.00 0.00 54.97 55.46 2cr6 s GLU 61 Cb -0.40 -0.88 0.06 0.00 -4.31 0.00 0.00 34.13 28.60 2cr6 s GLU 61 CO 0.50 -0.17 -0.00 0.42 0.01 0.00 0.00 175.26 176.02 2cr6 s ILE 62 N 1.30 0.91 0.63 -1.63 1.01 -1.26 -0.08 121.20 122.08 2cr6 s ILE 62 Ca -0.05 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.89 2cr6 s ILE 62 Cb -0.13 -1.30 0.11 0.00 0.01 0.00 0.00 42.46 41.15 2cr6 s ILE 62 CO -0.02 -0.14 0.86 0.47 0.00 0.00 0.00 174.94 176.11 2cr6 n ASP 63 N 4.91 1.84 -3.06 3.58 8.00 0.12 -4.98 116.55 126.96 2cr6 n ASP 63 Ca -0.10 -2.40 -0.19 0.00 0.71 0.00 0.00 54.79 52.82 2cr6 n ASP 63 Cb 0.46 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 2cr6 n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr6 n ALA 64 N -2.53 1.30 -0.76 2.24 0.00 -1.26 -3.36 120.51 116.14 2cr6 n ALA 64 Ca -0.14 -2.83 -0.33 0.00 0.00 0.00 0.00 53.44 50.14 2cr6 n ALA 64 Cb 0.59 -0.97 0.13 0.00 0.00 0.00 0.00 19.45 19.21 2cr6 n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cr6 n GLN 65 N 1.25 -0.44 -2.22 0.00 6.02 0.37 -4.85 117.38 117.52 2cr6 n GLN 65 Ca 0.18 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 2cr6 n GLN 65 Cb 0.58 -1.93 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 2cr6 n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2cr6 s PRO 66 N -3.79 4.37 0.00 -1.09 0.04 -1.26 -2.90 135.00 130.36 2cr6 s PRO 66 Ca 0.58 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2cr6 s PRO 66 Cb -0.21 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2cr6 s PRO 66 CO 0.66 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.79 2cr6 n GLY 67 N 2.82 1.58 3.02 0.56 0.00 -1.26 -4.39 105.19 107.50 2cr6 n GLY 67 Ca 0.08 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2cr6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr6 n GLY 68 N -0.62 -0.52 3.31 -0.02 0.00 -1.19 -4.71 105.19 101.44 2cr6 n GLY 68 Ca 0.00 0.13 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 2cr6 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr6 s TYR 69 N -3.18 3.67 -0.43 1.61 2.02 -1.14 -1.56 117.35 118.33 2cr6 s TYR 69 Ca 0.30 -1.95 -0.24 0.00 -0.37 0.00 0.00 57.07 54.81 2cr6 s TYR 69 Cb -0.13 -3.77 0.02 0.00 -0.40 0.00 0.00 41.96 37.68 2cr6 s TYR 69 CO 0.37 -0.98 0.82 -1.01 -1.57 0.00 0.00 175.55 173.18 2cr6 s HIS 70 N 0.35 3.01 -0.16 2.71 3.76 -1.14 -0.48 115.29 123.33 2cr6 s HIS 70 Ca 0.16 0.32 -0.08 0.00 -0.15 0.00 0.00 55.06 55.30 2cr6 s HIS 70 Cb -0.14 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.84 2cr6 s HIS 70 CO -0.07 -0.95 0.12 0.08 -0.85 0.00 0.00 174.74 173.07 2cr6 s VAL 71 N 3.35 5.34 -0.23 -0.90 1.01 -1.21 -3.37 120.40 124.39 2cr6 s VAL 71 Ca 0.32 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2cr6 s VAL 71 Cb -0.12 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2cr6 s VAL 71 CO 0.22 0.52 -0.12 -0.22 0.00 0.00 0.00 175.10 175.50 2cr6 s LEU 72 N -0.21 3.00 -0.73 3.92 2.96 -1.15 -0.71 118.68 125.76 2cr6 s LEU 72 Ca 0.10 -1.01 -0.05 0.00 -0.22 0.00 0.00 54.13 52.95 2cr6 s LEU 72 Cb -0.12 -1.57 0.19 0.00 0.50 0.00 0.00 46.19 45.19 2cr6 s LEU 72 CO 0.01 -0.12 0.60 -0.89 -1.32 0.00 0.00 176.35 174.62 2cr6 s THR 73 N 1.23 4.34 -0.81 3.68 2.01 0.89 -1.33 115.64 125.65 2cr6 s THR 73 Ca -0.02 -3.03 -0.25 0.00 0.31 0.00 0.00 61.69 58.70 2cr6 s THR 73 Cb -0.17 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.59 2cr6 s THR 73 CO -0.07 -0.96 1.63 -0.76 -0.69 0.00 0.00 174.62 173.78 2cr6 s LEU 74 N -0.28 3.27 0.35 4.42 1.43 -1.21 -2.48 118.68 124.17 2cr6 s LEU 74 Ca 0.19 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 2cr6 s LEU 74 Cb -0.15 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.41 2cr6 s LEU 74 CO -0.06 -2.13 0.85 -0.13 0.23 0.00 0.00 176.35 175.11 2cr6 s ARG 75 N 6.22 4.22 -0.97 1.70 0.52 -1.10 -3.19 118.95 126.36 2cr6 s ARG 75 Ca 0.55 0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 56.67 2cr6 s ARG 75 Cb -0.07 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 2cr6 s ARG 75 CO 0.07 0.14 0.83 1.04 0.02 0.00 0.00 175.30 177.40 2cr6 n GLN 76 N -0.17 -1.82 -2.01 3.54 6.02 -0.68 -4.55 117.38 117.70 2cr6 n GLN 76 Ca 0.04 0.99 -0.25 0.00 -0.01 0.00 0.00 57.00 57.77 2cr6 n GLN 76 Cb 0.53 -5.48 0.16 0.00 1.02 0.00 0.00 30.24 26.47 2cr6 n GLN 76 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2cr6 n LEU 77 N -2.92 0.00 -4.00 1.08 4.77 -1.23 -4.65 117.00 110.05 2cr6 n LEU 77 Ca -0.06 -1.59 -0.08 0.00 -0.03 0.00 0.00 56.01 54.25 2cr6 n LEU 77 Cb 0.58 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2cr6 n LEU 77 CO 0.59 -1.21 -0.28 0.00 -1.33 0.00 0.00 177.39 175.16 2cr6 s ALA 78 N -3.65 0.21 0.64 -1.18 0.00 -1.26 -0.18 121.76 116.34 2cr6 s ALA 78 Ca 0.66 -0.89 0.38 0.00 0.00 0.00 0.00 51.96 52.11 2cr6 s ALA 78 Cb -0.02 0.29 2.12 0.00 0.00 0.00 0.00 23.12 25.51 2cr6 s ALA 78 CO 0.46 -0.36 2.28 -0.07 0.00 0.00 0.00 175.76 178.07 2cr6 h LEU 79 N 3.35 0.00 -0.30 0.00 3.38 -1.89 0.26 115.31 120.12 2cr6 h LEU 79 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2cr6 h LEU 79 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2cr6 h LEU 79 CO 0.58 0.00 0.00 2.29 0.09 0.00 0.00 178.44 181.40 2cr6 n LYS 80 N -3.37 1.20 0.07 1.13 2.85 -1.26 -3.24 118.16 115.54 2cr6 n LYS 80 Ca -0.02 -0.30 0.08 0.00 -1.05 0.00 0.00 58.31 57.02 2cr6 n LYS 80 Cb 0.12 -1.44 -0.05 0.00 -0.65 0.00 0.00 35.03 33.02 2cr6 n LYS 80 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2cr6 n ASP 81 N -0.59 0.71 -4.48 -5.58 2.03 0.92 -4.88 116.55 104.68 2cr6 n ASP 81 Ca 0.20 0.29 -0.47 0.00 0.52 0.00 0.00 54.79 55.33 2cr6 n ASP 81 Cb 0.17 0.62 -0.07 0.00 -0.72 0.00 0.00 41.12 41.11 2cr6 n ASP 81 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2cr6 n SER 82 N -2.67 2.02 0.00 1.67 7.64 -1.20 -4.64 113.62 116.44 2cr6 n SER 82 Ca -0.04 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2cr6 n SER 82 Cb 0.63 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2cr6 n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr6 n GLY 83 N 6.40 1.90 3.16 0.23 0.00 0.64 -4.96 105.19 112.57 2cr6 n GLY 83 Ca 0.43 0.28 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 2cr6 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr6 s THR 84 N 2.01 -0.82 0.04 2.61 2.01 -1.26 -1.81 115.64 118.41 2cr6 s THR 84 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 2cr6 s THR 84 Cb 0.00 -0.89 -0.09 0.00 0.01 0.00 0.00 72.50 71.53 2cr6 s THR 84 CO 0.00 -0.03 1.98 -0.63 -0.69 0.00 0.00 174.62 175.25 2cr6 s ILE 85 N 2.73 2.98 -0.94 1.82 -1.09 -0.82 -2.45 121.20 123.43 2cr6 s ILE 85 Ca 0.11 0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 58.51 2cr6 s ILE 85 Cb -0.14 -3.00 0.26 0.00 -1.58 0.00 0.00 42.46 38.00 2cr6 s ILE 85 CO -0.18 -0.00 1.02 -1.22 -1.23 0.00 0.00 174.94 173.34 2cr6 n TYR 86 N 7.50 3.72 -1.46 3.97 4.01 0.87 -2.71 117.16 133.06 2cr6 n TYR 86 Ca 0.20 -3.67 -0.36 0.00 -0.16 0.00 0.00 57.90 53.91 2cr6 n TYR 86 Cb 0.41 -1.15 0.08 0.00 -0.31 0.00 0.00 39.34 38.37 2cr6 n TYR 86 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2cr6 n PHE 87 N 1.81 0.94 -4.20 -0.72 7.35 -1.19 -3.10 117.46 118.36 2cr6 n PHE 87 Ca 0.25 0.41 -0.18 0.00 -0.76 0.00 0.00 57.45 57.17 2cr6 n PHE 87 Cb 0.37 -2.12 -0.15 0.00 0.35 0.00 0.00 39.48 37.92 2cr6 n PHE 87 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2cr6 s GLU 88 N -3.28 0.61 -0.32 -4.13 2.02 -0.63 -2.54 118.70 110.42 2cr6 s GLU 88 Ca 0.76 -0.18 -0.01 0.00 0.02 0.00 0.00 54.97 55.55 2cr6 s GLU 88 Cb -0.36 -0.61 0.19 0.00 0.10 0.00 0.00 34.13 33.45 2cr6 s GLU 88 CO 0.48 0.06 0.82 0.00 0.02 0.00 0.00 175.26 176.63 2cr6 s ALA 89 N 0.23 -3.25 0.00 5.21 0.00 -1.24 -2.89 121.76 119.82 2cr6 s ALA 89 Ca -0.03 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2cr6 s ALA 89 Cb -0.07 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2cr6 s ALA 89 CO -0.00 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 174.06 2cr6 n GLY 90 N 4.81 1.97 0.68 0.00 0.00 -1.26 -3.14 105.19 108.25 2cr6 n GLY 90 Ca 0.08 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.79 2cr6 n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cr6 n ASP 91 N 9.54 2.80 -4.64 1.61 9.92 -1.26 -5.02 116.55 129.50 2cr6 n ASP 91 Ca 0.00 -3.35 -0.31 0.00 -0.53 0.00 0.00 54.79 50.60 2cr6 n ASP 91 Cb 0.00 -0.53 -0.08 0.00 -0.64 0.00 0.00 41.12 39.87 2cr6 n ASP 91 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2cr6 s GLN 92 N -3.00 2.14 -0.30 -1.24 -1.52 -1.19 -5.03 119.66 109.51 2cr6 s GLN 92 Ca 0.39 -2.35 -0.12 0.00 -1.95 0.00 0.00 55.36 51.33 2cr6 s GLN 92 Cb 0.34 -1.36 0.16 0.00 -0.22 0.00 0.00 33.01 31.93 2cr6 s GLN 92 CO 0.03 -0.37 0.91 0.50 -0.25 0.00 0.00 175.29 176.11 2cr6 s ARG 93 N -3.84 0.34 0.77 2.91 3.52 -1.26 -3.61 118.95 117.78 2cr6 s ARG 93 Ca 0.10 0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 56.39 2cr6 s ARG 93 Cb 0.02 0.47 0.06 0.00 -1.56 0.00 0.00 34.95 33.95 2cr6 s ARG 93 CO 0.06 -0.19 1.12 0.00 -0.81 0.00 0.00 175.30 175.48 2cr6 s ALA 94 N 2.64 2.81 -0.24 6.12 0.00 -1.05 -4.89 121.76 127.15 2cr6 s ALA 94 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 2cr6 s ALA 94 Cb -0.09 -2.88 0.13 0.00 0.00 0.00 0.00 23.12 20.28 2cr6 s ALA 94 CO -0.17 -1.49 0.44 -1.54 0.00 0.00 0.00 175.76 173.00 2cr6 s SER 95 N -4.53 -0.27 -0.01 0.00 1.04 -1.25 -3.15 113.70 105.53 2cr6 s SER 95 Ca 0.61 0.68 0.06 0.00 0.48 0.00 0.00 55.95 57.77 2cr6 s SER 95 Cb -0.11 1.44 -0.01 0.00 0.10 0.00 0.00 66.02 67.44 2cr6 s SER 95 CO 0.48 -0.27 -0.18 0.00 0.98 0.00 0.00 173.24 174.26 2cr6 s ALA 96 N 2.64 1.52 -0.63 5.32 0.00 -1.10 -4.78 121.76 124.73 2cr6 s ALA 96 Ca 0.08 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 2cr6 s ALA 96 Cb -0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2cr6 s ALA 96 CO -0.16 0.37 1.85 0.00 0.00 0.00 0.00 175.76 177.83 2cr6 s ALA 97 N -0.45 2.16 -0.82 0.00 0.00 -1.26 -1.95 121.76 119.44 2cr6 s ALA 97 Ca 0.07 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 2cr6 s ALA 97 Cb -0.07 -4.32 0.11 0.00 0.00 0.00 0.00 23.12 18.84 2cr6 s ALA 97 CO -0.01 -3.93 1.05 -1.17 0.00 0.00 0.00 175.76 171.71 2cr6 s LEU 98 N 9.06 4.81 -0.05 0.00 2.96 -0.75 -1.99 118.68 132.72 2cr6 s LEU 98 Ca 0.67 -1.63 -0.10 0.00 -0.22 0.00 0.00 54.13 52.84 2cr6 s LEU 98 Cb -0.12 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2cr6 s LEU 98 CO 0.20 -1.21 0.27 -0.13 -1.32 0.00 0.00 176.35 174.16 2cr6 s ARG 99 N 3.21 3.65 -0.18 1.98 1.81 0.89 -0.26 118.95 130.06 2cr6 s ARG 99 Ca 0.28 0.10 -0.04 0.00 -1.72 0.00 0.00 55.73 54.35 2cr6 s ARG 99 Cb -0.10 -3.18 0.09 0.00 -0.45 0.00 0.00 34.95 31.30 2cr6 s ARG 99 CO -0.02 0.72 0.27 0.08 -0.68 0.00 0.00 175.30 175.68 2cr6 s VAL 100 N -1.09 -0.42 0.50 3.52 1.01 -1.26 -2.88 120.40 119.78 2cr6 s VAL 100 Ca 0.20 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.34 2cr6 s VAL 100 Cb -0.14 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.69 2cr6 s VAL 100 CO 0.09 -0.04 0.67 0.42 0.00 0.00 0.00 175.10 176.24 2cr6 s THR 101 N 2.41 2.52 1.08 3.92 -4.23 -1.10 -4.75 115.64 115.49 2cr6 s THR 101 Ca 0.05 -1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 59.40 2cr6 s THR 101 Cb -0.14 -2.55 0.17 0.00 1.34 0.00 0.00 72.50 71.33 2cr6 s THR 101 CO -0.11 0.00 0.66 -0.62 -0.54 0.00 0.00 174.62 174.01 2cr6 n GLU 102 N -2.04 -1.51 -4.21 3.99 1.02 -1.26 -0.03 120.64 116.60 2cr6 n GLU 102 Ca 0.11 -0.41 -0.16 0.00 -0.02 0.00 0.00 57.16 56.69 2cr6 n GLU 102 Cb 0.61 -2.02 -0.11 0.00 -0.02 0.00 0.00 31.44 29.89 2cr6 n GLU 102 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2cr6 s LYS 103 N -4.05 0.94 0.31 3.49 0.00 -1.26 -4.16 119.74 115.01 2cr6 s LYS 103 Ca 0.63 -1.20 0.10 0.00 0.00 0.00 0.00 55.97 55.50 2cr6 s LYS 103 Cb -0.21 -0.72 0.51 0.00 0.00 0.00 0.00 37.83 37.42 2cr6 s LYS 103 CO 0.65 0.13 1.71 -1.00 0.00 0.00 0.00 175.35 176.84 2cr6 h PRO 104 N 3.54 0.06 -4.74 1.78 0.13 -1.96 -3.40 132.00 127.41 2cr6 h PRO 104 Ca -0.39 -0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 64.01 2cr6 h PRO 104 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 2cr6 h PRO 104 CO 0.52 0.53 0.02 -1.54 -0.23 0.00 0.00 178.00 177.29 2cr6 s SER 105 N -6.89 6.20 0.21 1.44 1.04 -1.26 -5.03 113.70 109.41 2cr6 s SER 105 Ca -0.03 -1.20 -0.30 0.00 0.48 0.00 0.00 55.95 54.90 2cr6 s SER 105 Cb 0.13 -2.28 -0.15 0.00 0.10 0.00 0.00 66.02 63.82 2cr6 s SER 105 CO 0.75 -0.95 0.98 0.55 0.98 0.00 0.00 173.24 175.56 2cr6 n VAL 106 N 5.52 1.48 -3.91 5.02 3.14 -1.26 -4.94 118.33 123.39 2cr6 n VAL 106 Ca -0.09 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 2cr6 n VAL 106 Cb 0.44 -0.71 0.01 0.00 -1.06 0.00 0.00 33.84 32.52 2cr6 n VAL 106 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2cr6 n PHE 107 N 0.74 -0.75 -3.63 1.45 3.72 -1.26 -5.17 117.46 112.55 2cr6 n PHE 107 Ca 0.14 -0.80 -0.11 0.00 -0.05 0.00 0.00 57.45 56.62 2cr6 n PHE 107 Cb 0.27 0.38 -0.07 0.00 -0.94 0.00 0.00 39.48 39.12 2cr6 n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2cr6 s SER 108 N -3.19 -0.73 -0.98 4.37 1.04 -1.26 -5.06 113.70 107.88 2cr6 s SER 108 Ca 0.22 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 57.86 2cr6 s SER 108 Cb -0.01 1.36 0.20 0.00 0.10 0.00 0.00 66.02 67.67 2cr6 s SER 108 CO 0.02 -0.23 1.04 -0.60 0.98 0.00 0.00 173.24 174.45 2cr6 s ARG 109 N 0.64 3.82 0.00 4.02 3.00 -1.26 -4.96 118.95 124.21 2cr6 s ARG 109 Ca -0.02 -2.49 -0.28 0.00 -1.00 0.00 0.00 55.73 51.94 2cr6 s ARG 109 Cb -0.05 -4.68 0.09 0.00 0.00 0.00 0.00 34.95 30.32 2cr6 s ARG 109 CO -0.05 -1.47 0.81 0.45 0.00 0.00 0.00 175.30 175.04 2cr6 s SER 110 N 2.42 -0.45 0.00 -2.12 0.15 -1.26 -4.94 113.70 107.50 2cr6 s SER 110 Ca 0.28 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2cr6 s SER 110 Cb -0.08 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2cr6 s SER 110 CO -0.07 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2cr6 n GLY 111 N 0.02 -1.00 0.16 9.45 0.00 -1.26 -5.02 105.19 107.55 2cr6 n GLY 111 Ca -0.12 0.36 0.01 0.00 0.00 0.00 0.00 46.02 46.27 2cr6 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr6 h PRO 112 N 0.00 0.00 -3.04 1.61 0.13 -1.99 -3.41 132.00 125.29 2cr6 h PRO 112 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2cr6 h PRO 112 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 2cr6 h PRO 112 CO 0.00 0.48 -0.25 0.45 -0.23 0.00 0.00 178.00 178.45 2cr6 s SER 113 N -6.87 -0.20 -1.40 1.44 0.15 -1.26 -4.88 113.70 100.67 2cr6 s SER 113 Ca -0.02 0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 2cr6 s SER 113 Cb 0.14 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2cr6 s SER 113 CO 0.74 -0.49 0.05 -1.20 1.20 0.00 0.00 173.24 173.54 2cr6 n SER 114 N 1.12 -4.88 0.00 5.45 7.64 -1.26 -5.24 113.62 116.44 2cr6 n SER 114 Ca -0.21 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2cr6 n SER 114 Cb 0.57 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 2cr6 n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64