#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 6.41 -0.06 1.61 0.15 -1.26 -4.99 113.70 115.56 2cr6 s SER 2 Ca 0.00 0.49 -0.03 0.00 0.70 0.00 0.00 55.95 57.11 2cr6 s SER 2 Cb 0.00 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 2cr6 s SER 2 CO 0.00 0.38 -0.08 -1.54 1.20 0.00 0.00 173.24 173.20 2cr6 n SER 3 N 2.10 0.52 0.00 5.45 3.41 -1.26 -5.15 113.62 118.69 2cr6 n SER 3 Ca -0.19 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2cr6 n SER 3 Cb 0.55 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2cr6 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr6 n GLY 4 N 2.63 -2.74 3.37 5.00 0.00 -1.26 -4.99 105.19 107.19 2cr6 n GLY 4 Ca -0.12 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 2cr6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr6 s SER 5 N -2.31 3.23 0.00 1.61 0.01 -1.26 -5.08 113.70 109.91 2cr6 s SER 5 Ca 0.00 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2cr6 s SER 5 Cb 0.00 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2cr6 s SER 5 CO 0.00 0.22 0.89 -0.24 0.41 0.00 0.00 173.24 174.52 2cr6 n SER 6 N 1.37 0.00 0.00 2.44 2.88 -1.26 -5.00 113.62 114.05 2cr6 n SER 6 Ca -0.17 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2cr6 n SER 6 Cb 0.52 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2cr6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr6 n GLY 7 N -0.91 -1.02 2.74 0.46 0.00 -1.26 -4.49 105.19 100.71 2cr6 n GLY 7 Ca 0.00 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2cr6 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cr6 n LEU 8 N -0.89 7.34 -4.26 0.99 4.77 -1.26 -5.02 117.00 118.67 2cr6 n LEU 8 Ca 0.00 -4.74 -0.29 0.00 -0.03 0.00 0.00 56.01 50.95 2cr6 n LEU 8 Cb 0.00 -0.99 0.28 0.00 -2.33 0.00 0.00 43.42 40.38 2cr6 n LEU 8 CO 0.00 1.73 0.34 1.33 -1.33 0.00 0.00 177.39 179.47 2cr6 n VAL 9 N -0.63 0.00 -3.64 4.08 0.24 -1.26 -5.07 118.33 112.06 2cr6 n VAL 9 Ca 0.55 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.34 62.64 2cr6 n VAL 9 Cb 0.37 -0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 31.72 2cr6 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2cr6 s GLN 10 N -4.79 0.65 0.00 7.34 -2.07 -1.26 -5.13 119.66 114.40 2cr6 s GLN 10 Ca 0.66 0.99 0.00 0.00 -1.82 0.00 0.00 55.36 55.19 2cr6 s GLN 10 Cb -0.15 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 2cr6 s GLN 10 CO 0.58 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.84 2cr6 n GLY 11 N 3.60 0.36 3.54 2.60 0.00 -1.26 -5.14 105.19 108.89 2cr6 n GLY 11 Ca -0.18 0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 2cr6 n GLY 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cr6 n ARG 12 N 0.00 0.51 -4.79 1.61 0.63 -1.26 -5.00 116.66 108.36 2cr6 n ARG 12 Ca 0.00 0.22 -0.33 0.00 -0.92 0.00 0.00 57.85 56.82 2cr6 n ARG 12 Cb 0.00 -2.01 -0.13 0.00 0.45 0.00 0.00 32.46 30.77 2cr6 n ARG 12 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2cr6 s ARG 13 N -2.87 2.48 -0.02 -0.14 6.06 -1.26 -4.79 118.95 118.41 2cr6 s ARG 13 Ca 0.71 -0.72 0.07 0.00 -2.50 0.00 0.00 55.73 53.29 2cr6 s ARG 13 Cb -0.37 -2.39 -0.02 0.00 0.06 0.00 0.00 34.95 32.23 2cr6 s ARG 13 CO 0.53 0.62 -0.23 0.08 -2.50 0.00 0.00 175.30 173.79 2cr6 s VAL 14 N -0.79 1.84 -0.22 7.11 1.01 -1.26 -4.25 120.40 123.84 2cr6 s VAL 14 Ca 0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2cr6 s VAL 14 Cb -0.11 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.81 2cr6 s VAL 14 CO 0.02 0.52 0.01 -1.00 0.00 0.00 0.00 175.10 174.65 2cr6 s HIS 15 N -0.52 1.57 -0.59 5.22 3.76 -1.04 -4.66 115.29 119.02 2cr6 s HIS 15 Ca 0.08 -1.26 -0.26 0.00 -0.15 0.00 0.00 55.06 53.47 2cr6 s HIS 15 Cb -0.09 -1.29 -0.10 0.00 1.11 0.00 0.00 32.58 32.21 2cr6 s HIS 15 CO -0.01 -0.69 2.45 -0.89 -0.85 0.00 0.00 174.74 174.74 2cr6 n ILE 16 N 4.90 -0.07 0.15 0.60 2.08 -1.26 -2.28 119.36 123.48 2cr6 n ILE 16 Ca -0.09 -0.68 -0.07 0.00 0.56 0.00 0.00 62.75 62.47 2cr6 n ILE 16 Cb 0.46 -2.43 -0.03 0.00 -0.75 0.00 0.00 39.64 36.88 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 -1.25 -3.41 117.51 121.08 2cr6 h ILE 17 Ca -0.19 -0.45 -0.61 0.00 1.00 0.00 0.00 64.86 64.61 2cr6 h ILE 17 Cb 1.24 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.91 2cr6 h ILE 17 CO 1.17 0.00 -0.70 -1.61 0.00 0.00 0.00 178.15 177.01 2cr6 s GLU 18 N -3.03 1.85 0.84 2.37 2.02 0.75 -4.96 118.70 118.54 2cr6 s GLU 18 Ca -0.06 -2.77 -0.14 0.00 0.02 0.00 0.00 54.97 52.01 2cr6 s GLU 18 Cb 0.01 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.49 2cr6 s GLU 18 CO 0.19 -1.28 0.50 -3.47 0.02 0.00 0.00 175.26 171.22 2cr6 n ASP 19 N 2.53 -1.53 -4.08 -0.19 -0.08 -1.26 -1.21 116.55 110.73 2cr6 n ASP 19 Ca 0.19 0.46 -0.29 0.00 -1.51 0.00 0.00 54.79 53.65 2cr6 n ASP 19 Cb 0.38 -1.23 0.19 0.00 2.34 0.00 0.00 41.12 42.80 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 -0.91 -1.96 0.00 -2.67 4.77 -1.26 -4.81 117.00 110.16 2cr6 n LEU 20 Ca 0.09 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2cr6 n LEU 20 Cb 0.52 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2cr6 n LEU 20 CO 0.50 -3.26 0.00 -0.62 -1.33 0.00 0.00 177.39 172.68 2cr6 n GLU 21 N -2.65 0.00 -3.61 3.23 1.02 -1.26 -4.87 120.64 112.50 2cr6 n GLU 21 Ca 0.03 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2cr6 n GLU 21 Cb 0.56 -0.02 -0.01 0.00 -0.02 0.00 0.00 31.44 31.95 2cr6 n GLU 21 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2cr6 s ASP 22 N -2.11 -0.01 -0.06 1.62 1.47 -1.26 -3.97 116.67 112.35 2cr6 s ASP 22 Ca 0.00 -0.00 -0.13 0.00 1.18 0.00 0.00 52.55 53.60 2cr6 s ASP 22 Cb 0.00 0.01 0.02 0.00 -0.34 0.00 0.00 42.92 42.61 2cr6 s ASP 22 CO 0.00 -0.02 0.30 -0.69 0.68 0.00 0.00 175.17 175.45 2cr6 s VAL 23 N -2.03 0.04 -0.29 2.11 1.01 -0.41 -4.93 120.40 115.89 2cr6 s VAL 23 Ca 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2cr6 s VAL 23 Cb 0.02 -0.54 0.18 0.00 0.00 0.00 0.00 36.38 36.05 2cr6 s VAL 23 CO -0.04 -0.16 0.56 1.51 0.00 0.00 0.00 175.10 176.97 2cr6 s ASP 24 N -0.72 -1.14 0.20 3.32 -4.77 -1.25 0.01 116.67 112.31 2cr6 s ASP 24 Ca -0.08 0.54 -0.11 0.00 -3.30 0.00 0.00 52.55 49.59 2cr6 s ASP 24 Cb -0.04 1.94 -0.00 0.00 -1.09 0.00 0.00 42.92 43.72 2cr6 s ASP 24 CO 0.03 -0.28 0.38 0.68 0.70 0.00 0.00 175.17 176.67 2cr6 s VAL 25 N 2.79 0.04 0.41 2.11 -7.23 -1.16 -5.00 120.40 112.36 2cr6 s VAL 25 Ca 0.16 -1.32 -0.27 0.00 -1.81 0.00 0.00 61.98 58.74 2cr6 s VAL 25 Cb -0.14 -1.94 -0.10 0.00 0.56 0.00 0.00 36.38 34.77 2cr6 s VAL 25 CO -0.22 -0.16 1.46 -1.10 -0.31 0.00 0.00 175.10 174.77 2cr6 s GLN 26 N -3.98 3.95 0.52 4.82 -0.21 -1.26 -2.78 119.66 120.72 2cr6 s GLN 26 Ca 0.18 2.50 -0.23 0.00 0.02 0.00 0.00 55.36 57.84 2cr6 s GLN 26 Cb 0.02 -2.85 -0.06 0.00 1.00 0.00 0.00 33.01 31.12 2cr6 s GLN 26 CO 0.03 -0.64 1.37 -0.85 -2.12 0.00 0.00 175.29 173.08 2cr6 n GLU 27 N 0.20 1.83 0.00 2.91 -0.00 -0.23 -2.46 120.64 122.89 2cr6 n GLU 27 Ca 0.03 0.67 0.00 0.00 -0.00 0.00 0.00 57.16 57.85 2cr6 n GLU 27 Cb 0.40 -2.57 0.00 0.00 -0.00 0.00 0.00 31.44 29.27 2cr6 n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cr6 n GLY 28 N 0.73 2.54 0.94 -1.84 0.00 0.76 -4.60 105.19 103.72 2cr6 n GLY 28 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.14 -4.36 1.61 7.64 -1.03 -2.21 113.62 115.41 2cr6 n SER 29 Ca 0.00 -1.18 -0.39 0.00 1.01 0.00 0.00 58.87 58.31 2cr6 n SER 29 Cb 0.00 -0.21 -0.12 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.12 5.57 -0.42 6.43 1.04 -1.26 -2.94 113.70 120.01 2cr6 s SER 30 Ca 0.18 -0.94 -0.18 0.00 0.48 0.00 0.00 55.95 55.49 2cr6 s SER 30 Cb -0.01 -1.98 0.02 0.00 0.10 0.00 0.00 66.02 64.16 2cr6 s SER 30 CO 0.12 -0.33 0.50 0.00 0.98 0.00 0.00 173.24 174.50 2cr6 s ALA 31 N 1.53 3.41 0.23 5.32 0.00 -1.18 -4.88 121.76 126.18 2cr6 s ALA 31 Ca 0.02 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 2cr6 s ALA 31 Cb -0.19 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 2cr6 s ALA 31 CO 0.05 -1.59 1.05 0.99 0.00 0.00 0.00 175.76 176.26 2cr6 s THR 32 N 2.34 3.83 -0.40 0.00 2.01 -1.26 -3.07 115.64 119.09 2cr6 s THR 32 Ca 0.15 1.73 0.01 0.00 0.31 0.00 0.00 61.69 63.89 2cr6 s THR 32 Cb -0.16 -4.10 0.14 0.00 0.01 0.00 0.00 72.50 68.39 2cr6 s THR 32 CO 0.15 0.37 0.23 -0.36 -0.69 0.00 0.00 174.62 174.32 2cr6 s PHE 33 N -0.79 1.40 0.49 4.92 0.08 -0.98 -4.87 117.98 118.22 2cr6 s PHE 33 Ca 0.45 -2.07 -0.16 0.00 0.12 0.00 0.00 56.93 55.28 2cr6 s PHE 33 Cb -0.29 -1.42 -0.08 0.00 -0.57 0.00 0.00 43.02 40.66 2cr6 s PHE 33 CO 0.36 -0.80 0.94 1.03 -0.10 0.00 0.00 175.22 176.65 2cr6 s ARG 34 N 0.65 3.94 -0.29 0.44 0.52 -1.26 -2.80 118.95 120.15 2cr6 s ARG 34 Ca 0.18 0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 56.11 2cr6 s ARG 34 Cb -0.23 -2.19 0.16 0.00 0.52 0.00 0.00 34.95 33.21 2cr6 s ARG 34 CO -0.00 -0.20 1.00 0.00 0.02 0.00 0.00 175.30 176.12 2cr6 s ARG 36 N 1.77 3.48 -0.04 0.00 3.52 -0.35 -2.39 118.95 124.95 2cr6 s ARG 36 Ca -0.06 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 2cr6 s ARG 36 Cb -0.04 -3.83 0.01 0.00 -1.56 0.00 0.00 34.95 29.52 2cr6 s ARG 36 CO -0.16 -0.59 -0.10 0.96 -0.81 0.00 0.00 175.30 174.60 2cr6 s ILE 37 N 2.06 0.93 0.24 4.11 -5.25 -1.16 -0.18 121.20 121.95 2cr6 s ILE 37 Ca 0.12 -0.40 -0.06 0.00 -0.99 0.00 0.00 60.65 59.31 2cr6 s ILE 37 Cb -0.17 -0.85 -0.06 0.00 2.95 0.00 0.00 42.46 44.34 2cr6 s ILE 37 CO 0.12 0.30 0.51 -0.55 -1.79 0.00 0.00 174.94 173.53 2cr6 s SER 38 N 0.43 6.52 1.05 4.36 0.15 -0.97 -4.17 113.70 121.07 2cr6 s SER 38 Ca -0.08 0.75 -0.14 0.00 0.70 0.00 0.00 55.95 57.18 2cr6 s SER 38 Cb -0.12 -2.16 0.21 0.00 -1.71 0.00 0.00 66.02 62.25 2cr6 s SER 38 CO 0.02 -0.10 1.10 -2.16 1.20 0.00 0.00 173.24 173.30 2cr6 s PRO 39 N -3.11 0.00 0.00 5.44 0.04 -1.26 -2.50 135.00 133.61 2cr6 s PRO 39 Ca 0.44 0.37 0.23 0.00 0.04 0.00 0.00 61.00 62.08 2cr6 s PRO 39 Cb -0.11 -1.70 1.19 0.00 0.04 0.00 0.00 34.50 33.92 2cr6 s PRO 39 CO 0.26 -2.99 1.75 0.00 0.04 0.00 0.00 177.00 176.07 2cr6 n ALA 40 N -4.33 2.20 -1.94 8.56 0.00 -1.26 -2.94 120.51 120.80 2cr6 n ALA 40 Ca 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 2cr6 n ALA 40 Cb 0.58 -1.37 0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.25 3.21 -4.74 0.00 4.13 -1.26 -3.37 115.26 111.98 2cr6 n ASN 41 Ca 0.12 -3.59 -0.39 0.00 1.68 0.00 0.00 54.58 52.40 2cr6 n ASN 41 Cb 0.17 -0.42 -0.05 0.00 -1.54 0.00 0.00 39.78 37.93 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 -3.27 3.62 0.00 3.10 6.14 -1.15 -5.04 117.35 120.75 2cr6 s TYR 42 Ca 0.43 1.13 0.00 0.00 0.64 0.00 0.00 57.07 59.28 2cr6 s TYR 42 Cb 0.39 -2.64 0.00 0.00 0.42 0.00 0.00 41.96 40.13 2cr6 s TYR 42 CO -0.02 0.25 0.00 -0.85 0.64 0.00 0.00 175.55 175.57 2cr6 n GLU 43 N 3.20 0.00 -1.09 4.97 0.28 -1.26 -4.72 120.64 122.01 2cr6 n GLU 43 Ca -0.06 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 -0.99 0.09 3.44 0.04 -1.26 -5.17 135.00 129.15 2cr6 s PRO 44 Ca 0.00 0.02 0.10 0.00 0.04 0.00 0.00 61.00 61.16 2cr6 s PRO 44 Cb 0.00 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.89 2cr6 s PRO 44 CO 0.00 -3.57 -0.25 0.14 0.04 0.00 0.00 177.00 173.35 2cr6 s VAL 45 N -3.00 2.09 0.03 -0.36 -7.23 -1.26 -5.02 120.40 105.65 2cr6 s VAL 45 Ca 0.70 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2cr6 s VAL 45 Cb -0.11 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2cr6 s VAL 45 CO 0.56 0.18 0.04 -1.00 -0.31 0.00 0.00 175.10 174.56 2cr6 s HIS 46 N -0.96 3.13 -0.02 2.82 3.76 -1.14 -5.04 115.29 117.85 2cr6 s HIS 46 Ca 0.12 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2cr6 s HIS 46 Cb -0.10 -1.65 0.02 0.00 1.11 0.00 0.00 32.58 31.96 2cr6 s HIS 46 CO 0.04 0.50 0.01 -1.58 -0.85 0.00 0.00 174.74 172.85 2cr6 s TRP 47 N -1.21 0.17 0.17 1.40 0.52 -1.26 -2.10 118.94 116.63 2cr6 s TRP 47 Ca 0.23 0.04 0.04 0.00 0.02 0.00 0.00 56.10 56.43 2cr6 s TRP 47 Cb -0.12 -0.26 -0.05 0.00 -1.15 0.00 0.00 33.47 31.90 2cr6 s TRP 47 CO 0.15 -0.08 -0.07 -0.06 0.02 0.00 0.00 176.95 176.90 2cr6 s PHE 48 N 0.74 1.36 -0.24 -1.98 0.40 -0.98 -0.20 117.98 117.08 2cr6 s PHE 48 Ca -0.07 -0.80 -0.04 0.00 -0.60 0.00 0.00 56.93 55.42 2cr6 s PHE 48 Cb -0.10 -0.72 0.08 0.00 0.51 0.00 0.00 43.02 42.79 2cr6 s PHE 48 CO -0.02 0.06 0.11 -1.17 0.70 0.00 0.00 175.22 174.90 2cr6 s LEU 49 N -3.21 0.62 0.00 -0.37 1.98 -0.05 -0.09 118.68 117.56 2cr6 s LEU 49 Ca 0.20 -1.05 0.00 0.00 -2.89 0.00 0.00 54.13 50.39 2cr6 s LEU 49 Cb 0.03 -0.36 0.00 0.00 0.66 0.00 0.00 46.19 46.52 2cr6 s LEU 49 CO 0.03 -0.40 0.00 0.47 -1.89 0.00 0.00 176.35 174.56 2cr6 n ASP 50 N 5.22 0.00 -2.74 3.68 9.92 -0.80 -2.22 116.55 129.62 2cr6 n ASP 50 Ca -0.06 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.18 2cr6 n ASP 50 Cb 0.45 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.02 2cr6 n ASP 50 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2cr6 n LYS 51 N 0.00 1.51 -3.70 -1.24 5.02 -1.26 -5.00 118.16 113.49 2cr6 n LYS 51 Ca 0.00 -2.25 -0.11 0.00 -2.02 0.00 0.00 58.31 53.93 2cr6 n LYS 51 Cb 0.00 -0.48 -0.11 0.00 -0.02 0.00 0.00 35.03 34.42 2cr6 n LYS 51 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2cr6 s THR 52 N -1.61 -0.02 0.66 -0.18 2.01 -0.94 -5.16 115.64 110.40 2cr6 s THR 52 Ca 0.17 0.07 -0.15 0.00 0.31 0.00 0.00 61.69 62.10 2cr6 s THR 52 Cb 0.39 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 72.30 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 1.15 2.79 -0.05 4.92 0.04 -1.26 -0.87 135.00 141.72 2cr6 s PRO 53 Ca -0.07 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.36 2cr6 s PRO 53 Cb -0.07 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2cr6 s PRO 53 CO -0.10 -1.26 -0.08 -0.51 0.04 0.00 0.00 177.00 175.09 2cr6 s LEU 54 N -4.89 1.51 0.02 -3.56 1.43 0.71 -4.85 118.68 109.05 2cr6 s LEU 54 Ca 0.67 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2cr6 s LEU 54 Cb -0.20 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 2cr6 s LEU 54 CO 0.42 -0.01 -0.10 -1.00 0.23 0.00 0.00 176.35 175.89 2cr6 s HIS 55 N 0.75 0.87 0.19 0.29 3.76 -1.26 -4.14 115.29 115.75 2cr6 s HIS 55 Ca -0.13 -0.30 -0.33 0.00 -0.15 0.00 0.00 55.06 54.15 2cr6 s HIS 55 Cb -0.15 -0.53 -0.14 0.00 1.11 0.00 0.00 32.58 32.87 2cr6 s HIS 55 CO 0.02 -0.01 1.41 0.00 -0.85 0.00 0.00 174.74 175.31 2cr6 n ALA 56 N 2.17 0.68 -3.00 -1.40 0.00 -1.26 -4.61 120.51 113.09 2cr6 n ALA 56 Ca -0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2cr6 n ALA 56 Cb 0.56 -2.24 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 2.52 0.00 -0.01 0.00 2.85 0.77 -4.89 115.26 116.50 2cr6 n ASN 57 Ca 0.14 -0.98 0.22 0.00 -0.11 0.00 0.00 54.58 53.85 2cr6 n ASN 57 Cb 0.28 0.00 0.72 0.00 1.24 0.00 0.00 39.78 42.02 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2cr6 h GLU 58 N 0.00 0.00 0.00 1.20 4.81 -2.02 -2.93 114.58 115.64 2cr6 h GLU 58 Ca 0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 2cr6 h GLU 58 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2cr6 h GLU 58 CO 0.00 0.00 -1.89 1.28 -0.73 0.00 0.00 179.01 177.67 2cr6 n LEU 59 N -4.12 2.43 -4.71 1.64 4.77 -1.26 -4.98 117.00 110.77 2cr6 n LEU 59 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 2cr6 n LEU 59 Cb 0.69 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2cr6 n LEU 59 CO 0.34 0.63 0.84 0.20 -1.33 0.00 0.00 177.39 178.08 2cr6 s ASN 60 N -5.79 7.14 -0.07 -1.43 -0.87 -1.11 -2.42 114.94 110.38 2cr6 s ASN 60 Ca -0.21 1.95 0.03 0.00 -1.57 0.00 0.00 52.86 53.05 2cr6 s ASN 60 Cb 0.06 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.73 2cr6 s ASN 60 CO 0.33 -0.42 -0.15 -0.70 -2.57 0.00 0.00 177.10 173.59 2cr6 s GLU 61 N 1.02 2.02 -0.40 -0.60 -6.30 -1.04 -0.16 118.70 113.23 2cr6 s GLU 61 Ca 0.57 -0.54 0.01 0.00 -2.50 0.00 0.00 54.97 52.52 2cr6 s GLU 61 Cb -0.28 -1.62 0.13 0.00 0.00 0.00 0.00 34.13 32.36 2cr6 s GLU 61 CO 0.29 0.08 0.22 0.42 0.02 0.00 0.00 175.26 176.29 2cr6 s ILE 62 N 0.54 0.96 0.97 -3.70 1.01 -1.26 -0.03 121.20 119.68 2cr6 s ILE 62 Ca -0.15 -2.18 -0.15 0.00 0.00 0.00 0.00 60.65 58.17 2cr6 s ILE 62 Cb -0.16 -1.68 0.18 0.00 0.01 0.00 0.00 42.46 40.80 2cr6 s ILE 62 CO 0.05 -0.90 1.19 -1.81 0.00 0.00 0.00 174.94 173.47 2cr6 s ASP 63 N 0.69 3.05 -0.39 3.58 1.01 -0.34 -4.92 116.67 119.35 2cr6 s ASP 63 Ca 0.17 0.68 0.10 0.00 0.71 0.00 0.00 52.55 54.21 2cr6 s ASP 63 Cb -0.23 -1.02 0.33 0.00 1.01 0.00 0.00 42.92 43.00 2cr6 s ASP 63 CO -0.02 -2.81 0.75 0.00 0.21 0.00 0.00 175.17 173.31 2cr6 n ALA 64 N -3.89 1.58 -0.92 5.23 0.00 -1.26 -3.24 120.51 118.01 2cr6 n ALA 64 Ca 0.10 -3.07 -0.34 0.00 0.00 0.00 0.00 53.44 50.13 2cr6 n ALA 64 Cb 0.60 -0.96 0.10 0.00 0.00 0.00 0.00 19.45 19.19 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 0.51 -0.13 -2.03 0.00 3.00 -0.24 -4.83 117.38 113.68 2cr6 n GLN 65 Ca 0.21 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.87 2cr6 n GLN 65 Cb 0.64 -1.82 0.02 0.00 0.00 0.00 0.00 30.24 29.09 2cr6 n GLN 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2cr6 s PRO 66 N -3.35 3.10 0.00 -1.09 0.04 -1.26 -2.59 135.00 129.85 2cr6 s PRO 66 Ca 0.58 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2cr6 s PRO 66 Cb -0.24 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2cr6 s PRO 66 CO 0.66 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2cr6 n GLY 67 N -0.17 0.61 1.81 0.56 0.00 -1.26 -4.06 105.19 102.68 2cr6 n GLY 67 Ca 0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.68 0.37 3.17 -0.02 0.00 -1.22 -4.81 105.19 100.01 2cr6 n GLY 68 Ca 0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.09 3.49 -0.40 1.61 1.51 -1.07 -2.99 117.35 116.42 2cr6 s TYR 69 Ca 0.06 -2.23 -0.20 0.00 -1.01 0.00 0.00 57.07 53.70 2cr6 s TYR 69 Cb -0.03 -3.39 0.01 0.00 -0.11 0.00 0.00 41.96 38.45 2cr6 s TYR 69 CO 0.19 -0.95 0.61 -1.01 -1.11 0.00 0.00 175.55 173.28 2cr6 s HIS 70 N 0.86 3.11 -0.04 2.71 3.76 -1.01 -1.07 115.29 123.61 2cr6 s HIS 70 Ca 0.10 0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.08 2cr6 s HIS 70 Cb -0.23 -3.21 -0.03 0.00 1.11 0.00 0.00 32.58 30.22 2cr6 s HIS 70 CO -0.03 -0.75 0.00 0.08 -0.85 0.00 0.00 174.74 173.19 2cr6 s VAL 71 N 2.70 4.23 -0.26 -0.90 1.01 -1.20 -2.78 120.40 123.20 2cr6 s VAL 71 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2cr6 s VAL 71 Cb -0.14 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.48 2cr6 s VAL 71 CO 0.17 0.48 0.02 -0.22 0.00 0.00 0.00 175.10 175.55 2cr6 s LEU 72 N -1.24 2.56 -0.97 3.92 2.96 -1.12 -1.20 118.68 123.58 2cr6 s LEU 72 Ca 0.17 -1.39 -0.13 0.00 -0.22 0.00 0.00 54.13 52.56 2cr6 s LEU 72 Cb -0.11 -1.06 0.22 0.00 0.50 0.00 0.00 46.19 45.73 2cr6 s LEU 72 CO 0.07 -0.32 1.01 -0.89 -1.32 0.00 0.00 176.35 174.90 2cr6 s THR 73 N 1.46 5.52 -0.96 3.68 2.01 0.95 -2.30 115.64 126.00 2cr6 s THR 73 Ca 0.02 -2.62 -0.24 0.00 0.31 0.00 0.00 61.69 59.15 2cr6 s THR 73 Cb -0.18 -4.61 -0.02 0.00 0.01 0.00 0.00 72.50 67.70 2cr6 s THR 73 CO -0.12 -1.22 1.79 -0.76 -0.69 0.00 0.00 174.62 173.62 2cr6 s LEU 74 N 0.33 3.28 0.51 4.42 1.43 -1.17 -2.48 118.68 124.98 2cr6 s LEU 74 Ca 0.27 -0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 52.20 2cr6 s LEU 74 Cb -0.08 -2.56 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 2cr6 s LEU 74 CO -0.08 -2.35 1.00 -0.13 0.23 0.00 0.00 176.35 175.02 2cr6 s ARG 75 N 6.31 3.88 -0.85 1.70 0.52 -1.02 -3.13 118.95 126.36 2cr6 s ARG 75 Ca 0.62 1.08 -0.03 0.00 -0.52 0.00 0.00 55.73 56.89 2cr6 s ARG 75 Cb -0.04 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 2cr6 s ARG 75 CO -0.03 -0.33 0.76 1.04 0.02 0.00 0.00 175.30 176.76 2cr6 n GLN 76 N -1.39 -1.58 -2.42 3.54 6.02 -0.94 -4.62 117.38 115.99 2cr6 n GLN 76 Ca 0.07 1.23 -0.23 0.00 -0.01 0.00 0.00 57.00 58.06 2cr6 n GLN 76 Cb 0.54 -5.51 0.13 0.00 1.02 0.00 0.00 30.24 26.42 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 -2.35 0.00 -3.81 1.08 4.77 -1.22 -4.38 117.00 111.09 2cr6 n LEU 77 Ca -0.04 -1.97 -0.09 0.00 -0.03 0.00 0.00 56.01 53.88 2cr6 n LEU 77 Cb 0.55 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2cr6 n LEU 77 CO 0.56 -1.03 -0.01 0.00 -1.33 0.00 0.00 177.39 175.58 2cr6 s ALA 78 N -3.27 -0.40 0.13 -1.18 0.00 -1.26 -0.17 121.76 115.62 2cr6 s ALA 78 Ca 0.65 -0.49 0.32 0.00 0.00 0.00 0.00 51.96 52.44 2cr6 s ALA 78 Cb -0.03 0.59 1.66 0.00 0.00 0.00 0.00 23.12 25.33 2cr6 s ALA 78 CO 0.44 -0.57 1.97 -0.07 0.00 0.00 0.00 175.76 177.54 2cr6 h LEU 79 N 2.62 0.00 -1.99 0.00 3.38 -1.91 0.12 115.31 117.52 2cr6 h LEU 79 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2cr6 h LEU 79 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2cr6 h LEU 79 CO 0.53 0.00 0.00 2.29 0.09 0.00 0.00 178.44 181.35 2cr6 n LYS 80 N -2.66 2.56 -0.03 1.13 2.85 -1.26 -3.77 118.16 116.98 2cr6 n LYS 80 Ca -0.01 -1.69 0.01 0.00 -1.05 0.00 0.00 58.31 55.57 2cr6 n LYS 80 Cb 0.10 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 32.79 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 0.60 2.29 -4.51 -5.58 2.03 0.03 -4.97 116.55 106.43 2cr6 n ASP 81 Ca 0.15 0.00 -0.51 0.00 0.52 0.00 0.00 54.79 54.95 2cr6 n ASP 81 Cb 0.56 1.20 -0.07 0.00 -0.72 0.00 0.00 41.12 42.09 2cr6 n ASP 81 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2cr6 n SER 82 N -2.13 2.38 0.00 1.67 3.41 -1.25 -4.64 113.62 113.06 2cr6 n SER 82 Ca -0.09 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2cr6 n SER 82 Cb 0.55 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 2cr6 n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr6 n GLY 83 N 5.98 0.54 3.47 5.00 0.00 -0.02 -4.97 105.19 115.19 2cr6 n GLY 83 Ca 0.37 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.82 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 1.73 -0.95 -0.10 2.61 2.01 -1.26 -2.74 115.64 116.94 2cr6 s THR 84 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2cr6 s THR 84 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2cr6 s THR 84 CO 0.00 0.00 1.60 -0.63 -0.69 0.00 0.00 174.62 174.90 2cr6 s ILE 85 N 2.86 3.69 -0.71 1.82 -1.09 -0.91 -1.90 121.20 124.96 2cr6 s ILE 85 Ca 0.03 0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 59.18 2cr6 s ILE 85 Cb -0.13 -3.57 0.18 0.00 -1.58 0.00 0.00 42.46 37.37 2cr6 s ILE 85 CO -0.19 -0.11 0.59 -0.31 -1.23 0.00 0.00 174.94 173.68 2cr6 s TYR 86 N 4.24 3.58 0.51 3.97 2.02 0.87 -2.45 117.35 130.08 2cr6 s TYR 86 Ca 0.71 -2.26 -0.20 0.00 -0.37 0.00 0.00 57.07 54.95 2cr6 s TYR 86 Cb -0.30 -3.54 -0.07 0.00 -0.40 0.00 0.00 41.96 37.65 2cr6 s TYR 86 CO 0.28 -0.93 1.10 0.12 -1.57 0.00 0.00 175.55 174.55 2cr6 s PHE 87 N 0.21 2.81 -0.03 2.71 5.36 -1.11 -2.33 117.98 125.61 2cr6 s PHE 87 Ca 0.16 1.56 0.01 0.00 -0.96 0.00 0.00 56.93 57.70 2cr6 s PHE 87 Cb -0.16 -3.23 0.01 0.00 -0.34 0.00 0.00 43.02 39.31 2cr6 s PHE 87 CO -0.06 -1.31 -0.05 -1.21 -1.46 0.00 0.00 175.22 171.13 2cr6 s GLU 88 N -3.17 0.70 -0.31 10.12 2.02 -0.89 -2.33 118.70 124.83 2cr6 s GLU 88 Ca 0.70 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.56 2cr6 s GLU 88 Cb -0.22 -0.71 0.19 0.00 0.10 0.00 0.00 34.13 33.49 2cr6 s GLU 88 CO 0.26 -0.01 0.73 0.00 0.02 0.00 0.00 175.26 176.26 2cr6 s ALA 89 N 0.58 -2.91 0.00 5.21 0.00 -1.24 -2.86 121.76 120.53 2cr6 s ALA 89 Ca -0.07 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2cr6 s ALA 89 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2cr6 s ALA 89 CO 0.00 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.19 2cr6 n GLY 90 N 5.13 1.88 0.36 0.00 0.00 -1.26 -2.95 105.19 108.36 2cr6 n GLY 90 Ca 0.07 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.86 2cr6 n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cr6 n ASP 91 N 9.78 2.76 -4.89 1.61 2.03 -1.26 -5.02 116.55 121.56 2cr6 n ASP 91 Ca 0.00 -2.62 -0.27 0.00 0.52 0.00 0.00 54.79 52.42 2cr6 n ASP 91 Cb 0.00 -0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 40.07 2cr6 n ASP 91 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2cr6 s GLN 92 N -2.08 2.24 -0.30 -0.67 -1.52 -1.15 -5.04 119.66 111.13 2cr6 s GLN 92 Ca 0.25 -2.09 -0.15 0.00 -1.95 0.00 0.00 55.36 51.42 2cr6 s GLN 92 Cb 0.20 -2.01 0.17 0.00 -0.22 0.00 0.00 33.01 31.14 2cr6 s GLN 92 CO 0.06 -0.61 1.00 0.50 -0.25 0.00 0.00 175.29 175.99 2cr6 s ARG 93 N -4.24 0.28 0.57 2.91 3.52 -1.26 -3.71 118.95 117.03 2cr6 s ARG 93 Ca 0.29 0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 56.59 2cr6 s ARG 93 Cb -0.02 0.42 0.03 0.00 -1.56 0.00 0.00 34.95 33.82 2cr6 s ARG 93 CO 0.18 -0.10 0.82 0.00 -0.81 0.00 0.00 175.30 175.40 2cr6 s ALA 94 N 2.42 3.64 -0.26 6.12 0.00 -0.99 -4.91 121.76 127.78 2cr6 s ALA 94 Ca -0.03 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2cr6 s ALA 94 Cb -0.06 -2.26 0.15 0.00 0.00 0.00 0.00 23.12 20.95 2cr6 s ALA 94 CO -0.17 -0.81 0.47 -1.54 0.00 0.00 0.00 175.76 173.70 2cr6 s SER 95 N -4.40 -0.44 0.14 0.00 1.04 -1.25 -2.73 113.70 106.06 2cr6 s SER 95 Ca 0.56 0.55 0.09 0.00 0.48 0.00 0.00 55.95 57.63 2cr6 s SER 95 Cb -0.10 1.56 -0.04 0.00 0.10 0.00 0.00 66.02 67.54 2cr6 s SER 95 CO 0.40 -0.28 -0.17 0.00 0.98 0.00 0.00 173.24 174.17 2cr6 s ALA 96 N 2.68 2.72 -0.77 5.32 0.00 -1.03 -4.80 121.76 125.87 2cr6 s ALA 96 Ca 0.15 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 2cr6 s ALA 96 Cb -0.15 -0.62 0.05 0.00 0.00 0.00 0.00 23.12 22.40 2cr6 s ALA 96 CO -0.18 0.54 1.22 0.00 0.00 0.00 0.00 175.76 177.34 2cr6 s ALA 97 N -1.34 2.87 -0.67 0.00 0.00 -1.25 -2.15 121.76 119.22 2cr6 s ALA 97 Ca 0.20 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.22 2cr6 s ALA 97 Cb -0.10 -4.19 0.06 0.00 0.00 0.00 0.00 23.12 18.90 2cr6 s ALA 97 CO 0.11 -3.19 1.00 -1.17 0.00 0.00 0.00 175.76 172.51 2cr6 s LEU 98 N 5.03 4.23 -0.03 0.00 2.96 -1.11 -1.29 118.68 128.47 2cr6 s LEU 98 Ca 0.33 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 2cr6 s LEU 98 Cb -0.09 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2cr6 s LEU 98 CO 0.09 -1.49 0.13 -0.13 -1.32 0.00 0.00 176.35 173.64 2cr6 s ARG 99 N 4.26 3.30 -0.22 1.98 0.52 0.10 -0.84 118.95 128.06 2cr6 s ARG 99 Ca 0.24 -0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 55.07 2cr6 s ARG 99 Cb -0.16 -3.03 0.11 0.00 0.52 0.00 0.00 34.95 32.40 2cr6 s ARG 99 CO 0.11 0.69 0.35 0.08 0.02 0.00 0.00 175.30 176.55 2cr6 s VAL 100 N -1.21 -0.56 0.19 3.52 1.01 -1.26 -2.97 120.40 119.13 2cr6 s VAL 100 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2cr6 s VAL 100 Cb -0.12 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2cr6 s VAL 100 CO 0.14 -0.07 0.38 0.42 0.00 0.00 0.00 175.10 175.97 2cr6 s THR 101 N 2.52 5.21 0.34 3.92 -4.23 -1.12 -4.76 115.64 117.53 2cr6 s THR 101 Ca 0.08 -0.33 -0.27 0.00 -1.18 0.00 0.00 61.69 59.99 2cr6 s THR 101 Cb -0.14 -3.72 -0.13 0.00 1.34 0.00 0.00 72.50 69.85 2cr6 s THR 101 CO -0.14 -0.13 1.02 -1.84 -0.54 0.00 0.00 174.62 172.99 2cr6 n GLU 102 N -0.54 1.40 -4.24 3.99 0.28 -1.26 -1.07 120.64 119.20 2cr6 n GLU 102 Ca -0.05 0.50 -0.23 0.00 -0.16 0.00 0.00 57.16 57.22 2cr6 n GLU 102 Cb 0.53 -1.94 -0.06 0.00 1.43 0.00 0.00 31.44 31.40 2cr6 n GLU 102 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2cr6 s LYS 103 N -1.74 2.45 -0.01 3.44 0.00 -1.26 -4.66 119.74 117.97 2cr6 s LYS 103 Ca 0.60 -1.33 -0.24 0.00 0.00 0.00 0.00 55.97 54.99 2cr6 s LYS 103 Cb -0.64 -2.26 -0.19 0.00 0.00 0.00 0.00 37.83 34.75 2cr6 s LYS 103 CO 0.59 0.36 1.29 -1.00 0.00 0.00 0.00 175.35 176.59 2cr6 h PRO 104 N 1.78 0.09 -2.01 1.78 0.13 -1.94 -3.46 132.00 128.36 2cr6 h PRO 104 Ca -0.45 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2cr6 h PRO 104 Cb 1.25 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.17 2cr6 h PRO 104 CO 0.61 0.55 -0.02 -1.12 -0.23 0.00 0.00 178.00 177.79 2cr6 s SER 105 N -5.80 -0.98 0.06 1.44 0.01 -1.26 -5.17 113.70 102.00 2cr6 s SER 105 Ca -0.15 1.52 -0.27 0.00 1.31 0.00 0.00 55.95 58.36 2cr6 s SER 105 Cb 0.03 1.56 0.07 0.00 0.21 0.00 0.00 66.02 67.89 2cr6 s SER 105 CO 0.69 -0.24 0.65 0.54 0.41 0.00 0.00 173.24 175.30 2cr6 s VAL 106 N 1.88 0.00 -1.35 3.43 0.11 -1.26 -5.07 120.40 118.14 2cr6 s VAL 106 Ca -0.09 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.80 2cr6 s VAL 106 Cb -0.06 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.86 2cr6 s VAL 106 CO -0.20 0.00 1.89 0.49 -3.33 0.00 0.00 175.10 173.95 2cr6 n PHE 107 N 0.18 4.18 -1.08 1.54 3.72 -1.26 -4.98 117.46 119.76 2cr6 n PHE 107 Ca -0.17 -2.93 -0.35 0.00 -0.05 0.00 0.00 57.45 53.94 2cr6 n PHE 107 Cb 0.61 -2.52 0.09 0.00 -0.94 0.00 0.00 39.48 36.72 2cr6 n PHE 107 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2cr6 n SER 108 N 7.01 -1.60 0.13 4.37 7.64 -1.26 -4.86 113.62 125.06 2cr6 n SER 108 Ca 0.48 0.48 -0.13 0.00 1.01 0.00 0.00 58.87 60.71 2cr6 n SER 108 Cb 0.43 -1.21 -0.06 0.00 -1.01 0.00 0.00 64.21 62.36 2cr6 n SER 108 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2cr6 h ARG 109 N -0.84 -0.52 -5.84 1.43 3.08 -1.83 -3.46 114.38 106.39 2cr6 h ARG 109 Ca -0.45 0.04 -0.39 0.00 0.07 0.00 0.00 59.98 59.25 2cr6 h ARG 109 Cb 1.32 0.12 0.13 0.00 0.08 0.00 0.00 29.97 31.62 2cr6 h ARG 109 CO 0.39 -0.35 -0.72 0.45 -1.07 0.00 0.00 179.97 178.67 2cr6 n SER 110 N -5.41 -4.80 -3.42 7.04 2.88 -1.26 -4.97 113.62 103.69 2cr6 n SER 110 Ca -0.07 -0.59 -0.04 0.00 -1.33 0.00 0.00 58.87 56.84 2cr6 n SER 110 Cb 0.32 -4.93 0.01 0.00 -0.75 0.00 0.00 64.21 58.86 2cr6 n SER 110 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr6 s GLY 111 N -3.67 0.05 1.06 0.46 0.00 -1.26 -5.18 107.32 98.78 2cr6 s GLY 111 Ca 0.40 -0.25 -0.18 0.00 0.00 0.00 0.00 44.72 44.69 2cr6 s GLY 111 CO 0.74 1.55 0.94 -1.55 0.00 0.00 0.00 173.10 174.78 2cr6 n PRO 112 N -0.63 -2.85 0.04 2.90 -0.04 -1.26 -4.93 135.00 128.23 2cr6 n PRO 112 Ca -0.04 -1.50 0.02 0.00 -0.04 0.00 0.00 63.50 61.93 2cr6 n PRO 112 Cb 0.60 -1.41 0.36 0.00 -0.04 0.00 0.00 33.50 33.01 2cr6 n PRO 112 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cr6 h SER 113 N -2.49 0.40 -4.72 3.54 0.87 -2.02 -3.44 113.55 105.69 2cr6 h SER 113 Ca -0.35 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 2cr6 h SER 113 Cb 1.08 -0.10 -0.20 0.00 -0.44 0.00 0.00 62.40 62.74 2cr6 h SER 113 CO 0.23 0.45 0.08 -0.94 -0.53 0.00 0.00 176.83 176.12 2cr6 s SER 114 N -6.77 -0.59 0.00 6.23 1.04 -1.26 -5.02 113.70 107.33 2cr6 s SER 114 Ca -0.07 0.78 0.17 0.00 0.48 0.00 0.00 55.95 57.30 2cr6 s SER 114 Cb 0.16 0.71 0.13 0.00 0.10 0.00 0.00 66.02 67.12 2cr6 s SER 114 CO 0.75 -0.48 1.04 0.61 0.98 0.00 0.00 173.24 176.13