#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 -0.07 0.18 1.61 1.04 -1.26 -5.19 113.70 110.00 2cr6 s SER 2 Ca 0.00 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 55.92 2cr6 s SER 2 Cb 0.00 0.29 0.06 0.00 0.10 0.00 0.00 66.02 66.46 2cr6 s SER 2 CO 0.00 -0.54 0.76 -0.55 0.98 0.00 0.00 173.24 173.90 2cr6 s SER 3 N -3.11 -0.34 0.00 7.02 0.15 -1.26 -5.17 113.70 110.99 2cr6 s SER 3 Ca 0.16 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2cr6 s SER 3 Cb 0.02 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2cr6 s SER 3 CO -0.01 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.01 2cr6 n GLY 4 N -0.41 4.19 3.28 9.45 0.00 -1.26 -5.14 105.19 115.30 2cr6 n GLY 4 Ca -0.09 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 -0.42 -0.11 1.61 0.01 -1.26 -5.06 113.70 108.47 2cr6 s SER 5 Ca 0.00 0.95 -0.12 0.00 1.31 0.00 0.00 55.95 58.10 2cr6 s SER 5 Cb 0.00 1.03 -0.05 0.00 0.21 0.00 0.00 66.02 67.21 2cr6 s SER 5 CO 0.00 -0.21 -0.24 -0.24 0.41 0.00 0.00 173.24 172.96 2cr6 n SER 6 N 4.73 1.60 -3.65 2.44 2.88 -1.26 -5.09 113.62 115.28 2cr6 n SER 6 Ca -0.17 0.26 -0.03 0.00 -1.33 0.00 0.00 58.87 57.60 2cr6 n SER 6 Cb 0.53 -0.60 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 2cr6 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr6 s GLY 7 N -4.77 0.22 -1.06 0.46 0.00 -1.26 -5.08 107.32 95.82 2cr6 s GLY 7 Ca -0.21 3.31 -0.05 0.00 0.00 0.00 0.00 44.72 47.78 2cr6 s GLY 7 CO 0.30 2.31 1.33 -0.10 0.00 0.00 0.00 173.10 176.94 2cr6 n LEU 8 N 2.70 5.99 0.00 0.66 7.94 -1.26 -4.56 117.00 128.47 2cr6 n LEU 8 Ca -0.15 -5.18 0.00 0.00 -1.11 0.00 0.00 56.01 49.57 2cr6 n LEU 8 Cb 0.57 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2cr6 n LEU 8 CO 0.03 1.61 -0.43 0.55 -1.11 0.00 0.00 177.39 178.05 2cr6 n VAL 9 N 1.69 0.00 -1.13 1.96 3.14 -1.26 -5.07 118.33 117.66 2cr6 n VAL 9 Ca 0.25 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.29 2cr6 n VAL 9 Cb 0.35 -0.63 0.10 0.00 -1.06 0.00 0.00 33.84 32.60 2cr6 n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2cr6 n GLN 10 N -2.07 0.18 0.00 1.45 10.64 -1.26 -4.88 117.38 121.43 2cr6 n GLN 10 Ca 0.00 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 2cr6 n GLN 10 Cb 0.43 -2.09 0.00 0.00 -0.86 0.00 0.00 30.24 27.72 2cr6 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2cr6 n GLY 11 N 1.18 0.71 3.30 2.61 0.00 -1.26 -5.09 105.19 106.64 2cr6 n GLY 11 Ca 0.11 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 2cr6 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr6 n ARG 12 N -0.70 -1.35 -3.75 1.61 1.74 -1.26 -5.03 116.66 107.91 2cr6 n ARG 12 Ca 0.00 -0.37 -0.13 0.00 -0.77 0.00 0.00 57.85 56.57 2cr6 n ARG 12 Cb 0.00 -1.72 -0.14 0.00 -1.02 0.00 0.00 32.46 29.58 2cr6 n ARG 12 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2cr6 s ARG 13 N -3.46 0.11 -0.07 5.56 6.06 -1.26 -4.91 118.95 120.98 2cr6 s ARG 13 Ca 0.56 0.37 0.02 0.00 -2.50 0.00 0.00 55.73 54.18 2cr6 s ARG 13 Cb -0.13 -0.14 -0.03 0.00 0.06 0.00 0.00 34.95 34.71 2cr6 s ARG 13 CO 0.66 -0.15 -0.11 0.08 -2.50 0.00 0.00 175.30 173.28 2cr6 s VAL 14 N 1.06 3.30 -0.26 7.11 1.01 -1.26 -4.32 120.40 127.04 2cr6 s VAL 14 Ca -0.08 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 2cr6 s VAL 14 Cb -0.10 -2.33 0.08 0.00 0.00 0.00 0.00 36.38 34.02 2cr6 s VAL 14 CO -0.06 0.58 0.02 -1.00 0.00 0.00 0.00 175.10 174.65 2cr6 s HIS 15 N -0.55 2.05 -0.58 5.22 3.76 -1.01 -4.65 115.29 119.53 2cr6 s HIS 15 Ca 0.08 -1.70 -0.27 0.00 -0.15 0.00 0.00 55.06 53.01 2cr6 s HIS 15 Cb -0.12 -1.66 -0.10 0.00 1.11 0.00 0.00 32.58 31.82 2cr6 s HIS 15 CO 0.02 -0.79 2.47 -0.89 -0.85 0.00 0.00 174.74 174.69 2cr6 n ILE 16 N 4.76 -0.07 0.13 0.60 2.08 -1.26 -2.19 119.36 123.41 2cr6 n ILE 16 Ca -0.06 -0.65 -0.06 0.00 0.56 0.00 0.00 62.75 62.54 2cr6 n ILE 16 Cb 0.44 -2.36 -0.03 0.00 -0.75 0.00 0.00 39.64 36.94 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 7.75 0.00 -2.94 1.39 2.04 -1.22 -3.41 117.51 121.12 2cr6 h ILE 17 Ca -0.21 -0.49 -0.61 0.00 1.00 0.00 0.00 64.86 64.55 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 -0.67 -1.61 0.00 0.00 0.00 178.15 177.08 2cr6 s GLU 18 N -2.87 2.08 0.84 2.37 2.02 0.84 -4.95 118.70 119.02 2cr6 s GLU 18 Ca -0.06 -3.01 -0.14 0.00 0.02 0.00 0.00 54.97 51.78 2cr6 s GLU 18 Cb 0.01 -2.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.27 2cr6 s GLU 18 CO 0.17 -1.30 0.47 -3.47 0.02 0.00 0.00 175.26 171.15 2cr6 n ASP 19 N 2.25 -1.63 -4.18 -0.19 -0.08 -1.26 -1.01 116.55 110.45 2cr6 n ASP 19 Ca 0.21 0.46 -0.31 0.00 -1.51 0.00 0.00 54.79 53.64 2cr6 n ASP 19 Cb 0.38 -1.21 0.18 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 -0.80 -2.17 0.00 -2.67 4.77 -1.26 -4.81 117.00 110.06 2cr6 n LEU 20 Ca 0.08 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 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 -3.15 0.00 -0.62 -1.33 0.00 0.00 177.39 172.79 2cr6 n GLU 21 N -2.33 0.00 0.00 3.23 1.02 -1.26 -4.87 120.64 116.43 2cr6 n GLU 21 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2cr6 n GLU 21 Cb 0.59 -0.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 2cr6 n GLU 21 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2cr6 n ASP 22 N -1.66 0.00 -3.79 1.62 5.75 -1.26 -4.11 116.55 113.10 2cr6 n ASP 22 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 2cr6 n ASP 22 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 2cr6 n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cr6 s VAL 23 N -2.00 0.02 -0.27 2.12 1.01 -0.76 -4.97 120.40 115.55 2cr6 s VAL 23 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2cr6 s VAL 23 Cb 0.00 -0.43 0.15 0.00 0.00 0.00 0.00 36.38 36.10 2cr6 s VAL 23 CO 0.00 -0.09 0.41 1.51 0.00 0.00 0.00 175.10 176.93 2cr6 s ASP 24 N -0.31 0.18 0.31 3.32 -4.77 -1.24 -0.29 116.67 113.88 2cr6 s ASP 24 Ca -0.04 -0.02 -0.03 0.00 -3.30 0.00 0.00 52.55 49.16 2cr6 s ASP 24 Cb -0.03 1.19 0.01 0.00 -1.09 0.00 0.00 42.92 43.00 2cr6 s ASP 24 CO 0.01 -0.32 0.45 1.33 0.70 0.00 0.00 175.17 177.34 2cr6 n VAL 25 N 5.36 0.00 -2.95 2.11 0.24 -1.07 -5.00 118.33 117.03 2cr6 n VAL 25 Ca -0.01 -1.52 -0.38 0.00 -2.04 0.00 0.00 64.34 60.38 2cr6 n VAL 25 Cb 0.50 0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 2cr6 n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2cr6 s GLN 26 N -2.66 4.53 0.51 7.34 -2.07 -1.26 -0.11 119.66 125.94 2cr6 s GLN 26 Ca 0.25 1.16 -0.22 0.00 -1.82 0.00 0.00 55.36 54.72 2cr6 s GLN 26 Cb -0.01 -3.09 -0.07 0.00 -1.09 0.00 0.00 33.01 28.75 2cr6 s GLN 26 CO 0.18 0.47 1.15 -0.85 -1.32 0.00 0.00 175.29 174.92 2cr6 n GLU 27 N 1.19 1.43 0.00 9.60 -0.00 0.92 -2.41 120.64 131.37 2cr6 n GLU 27 Ca -0.03 0.53 0.00 0.00 -0.00 0.00 0.00 57.16 57.65 2cr6 n GLU 27 Cb 0.49 -2.30 0.00 0.00 -0.00 0.00 0.00 31.44 29.63 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 1.02 2.50 1.99 -1.84 0.00 0.61 -4.59 105.19 104.87 2cr6 n GLY 28 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 0.31 -4.25 1.61 7.64 -1.01 -2.61 113.62 115.30 2cr6 n SER 29 Ca 0.00 -1.38 -0.38 0.00 1.01 0.00 0.00 58.87 58.12 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 -3.34 5.40 -0.09 6.43 1.04 -1.26 -3.04 113.70 118.84 2cr6 s SER 30 Ca 0.37 -1.38 -0.20 0.00 0.48 0.00 0.00 55.95 55.21 2cr6 s SER 30 Cb -0.01 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 2cr6 s SER 30 CO 0.25 -0.42 0.57 0.00 0.98 0.00 0.00 173.24 174.62 2cr6 s ALA 31 N 1.37 3.42 -0.17 5.32 0.00 -1.18 -4.86 121.76 125.67 2cr6 s ALA 31 Ca 0.01 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 2cr6 s ALA 31 Cb -0.21 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 2cr6 s ALA 31 CO 0.02 -0.03 0.21 0.99 0.00 0.00 0.00 175.76 176.95 2cr6 s THR 32 N 0.65 5.36 -0.55 0.00 2.01 -1.25 -2.40 115.64 119.45 2cr6 s THR 32 Ca 0.31 0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.72 2cr6 s THR 32 Cb -0.16 -3.55 0.15 0.00 0.01 0.00 0.00 72.50 68.95 2cr6 s THR 32 CO 0.14 0.43 0.35 -0.36 -0.69 0.00 0.00 174.62 174.49 2cr6 s PHE 33 N 0.27 2.76 0.30 4.92 0.08 -0.71 -4.90 117.98 120.69 2cr6 s PHE 33 Ca 0.13 -2.94 -0.27 0.00 0.12 0.00 0.00 56.93 53.97 2cr6 s PHE 33 Cb -0.12 -2.31 -0.10 0.00 -0.57 0.00 0.00 43.02 39.92 2cr6 s PHE 33 CO 0.02 -0.69 0.95 0.50 -0.10 0.00 0.00 175.22 175.90 2cr6 s ARG 34 N -0.49 4.65 -0.29 0.44 3.52 -1.26 -3.17 118.95 122.34 2cr6 s ARG 34 Ca 0.22 1.40 -0.13 0.00 -0.13 0.00 0.00 55.73 57.09 2cr6 s ARG 34 Cb -0.15 -2.95 0.13 0.00 -1.56 0.00 0.00 34.95 30.43 2cr6 s ARG 34 CO -0.08 0.33 0.76 0.00 -0.81 0.00 0.00 175.30 175.50 2cr6 s ARG 36 N 2.34 4.10 -0.03 0.00 3.52 -0.18 -2.59 118.95 126.11 2cr6 s ARG 36 Ca -0.07 0.44 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 2cr6 s ARG 36 Cb -0.08 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 2cr6 s ARG 36 CO -0.18 -0.36 -0.07 0.96 -0.81 0.00 0.00 175.30 174.84 2cr6 s ILE 37 N 2.33 0.65 0.24 4.11 -5.25 -0.57 -0.11 121.20 122.59 2cr6 s ILE 37 Ca 0.24 -0.25 -0.07 0.00 -0.99 0.00 0.00 60.65 59.58 2cr6 s ILE 37 Cb -0.16 -0.62 -0.06 0.00 2.95 0.00 0.00 42.46 44.57 2cr6 s ILE 37 CO 0.09 0.23 0.53 -0.55 -1.79 0.00 0.00 174.94 173.45 2cr6 s SER 38 N 0.52 6.55 1.16 4.36 0.15 -0.93 -4.20 113.70 121.31 2cr6 s SER 38 Ca -0.08 0.81 -0.18 0.00 0.70 0.00 0.00 55.95 57.21 2cr6 s SER 38 Cb -0.11 -2.18 0.27 0.00 -1.71 0.00 0.00 66.02 62.28 2cr6 s SER 38 CO 0.01 -0.10 1.11 -2.16 1.20 0.00 0.00 173.24 173.29 2cr6 s PRO 39 N -3.04 -0.88 0.00 5.44 0.04 -1.26 -2.42 135.00 132.89 2cr6 s PRO 39 Ca 0.45 0.05 0.32 0.00 0.04 0.00 0.00 61.00 61.86 2cr6 s PRO 39 Cb -0.11 -1.63 1.89 0.00 0.04 0.00 0.00 34.50 34.69 2cr6 s PRO 39 CO 0.25 -3.51 2.22 0.00 0.04 0.00 0.00 177.00 175.99 2cr6 n ALA 40 N -4.64 2.69 -2.06 8.56 0.00 -1.26 -3.27 120.51 120.53 2cr6 n ALA 40 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 2cr6 n ALA 40 Cb 0.59 -1.51 0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.00 2.31 -4.73 0.00 4.13 -1.26 -3.29 115.26 111.42 2cr6 n ASN 41 Ca 0.24 -3.20 -0.39 0.00 1.68 0.00 0.00 54.58 52.91 2cr6 n ASN 41 Cb 0.11 -0.43 -0.05 0.00 -1.54 0.00 0.00 39.78 37.87 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 -2.68 3.59 0.00 3.10 6.14 -1.20 -5.03 117.35 121.26 2cr6 s TYR 42 Ca 0.39 1.15 0.00 0.00 0.64 0.00 0.00 57.07 59.24 2cr6 s TYR 42 Cb 0.38 -2.68 0.00 0.00 0.42 0.00 0.00 41.96 40.07 2cr6 s TYR 42 CO -0.06 0.19 0.00 -0.85 0.64 0.00 0.00 175.55 175.46 2cr6 n GLU 43 N 3.44 0.00 -1.09 4.97 0.28 -1.26 -4.72 120.64 122.25 2cr6 n GLU 43 Ca -0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.66 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 -1.02 0.11 3.44 0.04 -1.26 -5.17 135.00 129.14 2cr6 s PRO 44 Ca 0.00 0.01 0.10 0.00 0.04 0.00 0.00 61.00 61.15 2cr6 s PRO 44 Cb 0.00 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2cr6 s PRO 44 CO 0.00 -3.59 -0.26 0.14 0.04 0.00 0.00 177.00 173.33 2cr6 s VAL 45 N -3.00 2.18 0.03 -0.36 -7.23 -1.26 -5.02 120.40 105.73 2cr6 s VAL 45 Ca 0.70 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2cr6 s VAL 45 Cb -0.11 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2cr6 s VAL 45 CO 0.56 0.15 0.01 -1.00 -0.31 0.00 0.00 175.10 174.51 2cr6 s HIS 46 N -1.00 3.08 -0.01 2.82 3.76 -1.13 -5.04 115.29 117.76 2cr6 s HIS 46 Ca 0.13 0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.11 2cr6 s HIS 46 Cb -0.10 -1.64 0.01 0.00 1.11 0.00 0.00 32.58 31.96 2cr6 s HIS 46 CO 0.05 0.48 -0.02 -1.58 -0.85 0.00 0.00 174.74 172.81 2cr6 s TRP 47 N -1.17 0.31 0.16 1.40 0.52 -1.26 -1.91 118.94 117.00 2cr6 s TRP 47 Ca 0.22 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.32 2cr6 s TRP 47 Cb -0.12 -0.29 -0.05 0.00 -1.15 0.00 0.00 33.47 31.87 2cr6 s TRP 47 CO 0.13 -0.06 -0.02 -0.06 0.02 0.00 0.00 176.95 176.97 2cr6 s PHE 48 N 0.37 1.20 -0.23 -1.98 0.40 -0.99 -0.17 117.98 116.58 2cr6 s PHE 48 Ca -0.04 -0.96 -0.04 0.00 -0.60 0.00 0.00 56.93 55.29 2cr6 s PHE 48 Cb -0.06 -0.68 0.09 0.00 0.51 0.00 0.00 43.02 42.88 2cr6 s PHE 48 CO -0.01 -0.15 0.16 -1.17 0.70 0.00 0.00 175.22 174.75 2cr6 s LEU 49 N -3.17 0.24 0.00 -0.37 1.98 0.01 -0.09 118.68 117.28 2cr6 s LEU 49 Ca 0.22 -0.78 0.00 0.00 -2.89 0.00 0.00 54.13 50.67 2cr6 s LEU 49 Cb 0.05 -0.05 0.00 0.00 0.66 0.00 0.00 46.19 46.86 2cr6 s LEU 49 CO 0.03 -0.38 0.00 0.47 -1.89 0.00 0.00 176.35 174.58 2cr6 n ASP 50 N 5.28 0.00 -2.74 3.68 9.92 -0.80 -2.18 116.55 129.71 2cr6 n ASP 50 Ca -0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.19 2cr6 n ASP 50 Cb 0.46 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.04 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 -2.28 -0.11 0.00 -2.02 0.00 0.00 58.31 53.90 2cr6 n LYS 51 Cb 0.00 -0.51 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.65 -0.02 0.77 -0.18 2.01 -0.92 -5.16 115.64 110.48 2cr6 s THR 52 Ca 0.18 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 2cr6 s THR 52 Cb 0.39 -0.62 0.06 0.00 0.01 0.00 0.00 72.50 72.34 2cr6 s THR 52 CO -0.08 0.03 1.09 -2.16 -0.69 0.00 0.00 174.62 172.80 2cr6 s PRO 53 N 1.12 2.27 -0.03 4.92 0.04 -1.26 -0.81 135.00 141.24 2cr6 s PRO 53 Ca -0.07 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.15 2cr6 s PRO 53 Cb -0.07 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2cr6 s PRO 53 CO -0.10 -1.64 -0.04 -0.51 0.04 0.00 0.00 177.00 174.76 2cr6 s LEU 54 N -5.89 1.42 0.01 -3.56 1.43 0.76 -4.83 118.68 108.01 2cr6 s LEU 54 Ca 0.61 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2cr6 s LEU 54 Cb -0.17 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.65 2cr6 s LEU 54 CO 0.56 -0.04 -0.05 -1.00 0.23 0.00 0.00 176.35 176.04 2cr6 s HIS 55 N 0.75 0.47 0.27 0.29 3.76 -1.26 -4.12 115.29 115.45 2cr6 s HIS 55 Ca -0.10 -0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 54.32 2cr6 s HIS 55 Cb -0.13 -0.30 -0.14 0.00 1.11 0.00 0.00 32.58 33.13 2cr6 s HIS 55 CO -0.00 -0.03 1.25 0.00 -0.85 0.00 0.00 174.74 175.11 2cr6 n ALA 56 N 2.55 0.59 -3.00 -1.40 0.00 -1.26 -4.60 120.51 113.39 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 0.57 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 1.55 0.00 -0.15 0.00 5.15 -0.11 -4.89 115.26 116.82 2cr6 n ASN 57 Ca 0.10 -0.96 0.27 0.00 -0.60 0.00 0.00 54.58 53.38 2cr6 n ASN 57 Cb 0.32 0.00 0.71 0.00 -0.53 0.00 0.00 39.78 40.28 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2cr6 h GLU 58 N 0.00 0.02 0.00 1.20 4.81 -2.02 -3.03 114.58 115.55 2cr6 h GLU 58 Ca 0.00 -0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 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 0.01 -2.13 1.28 -0.73 0.00 0.00 179.01 177.44 2cr6 n LEU 59 N -4.30 1.47 -4.75 1.64 4.77 -1.26 -4.99 117.00 109.58 2cr6 n LEU 59 Ca 0.17 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.98 2cr6 n LEU 59 Cb 0.88 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2cr6 n LEU 59 CO 0.38 0.43 0.97 0.20 -1.33 0.00 0.00 177.39 178.04 2cr6 s ASN 60 N -6.80 6.87 -0.07 -1.43 -0.87 -1.15 -2.68 114.94 108.82 2cr6 s ASN 60 Ca -0.28 2.53 0.01 0.00 -1.57 0.00 0.00 52.86 53.55 2cr6 s ASN 60 Cb 0.11 -2.63 0.02 0.00 -0.02 0.00 0.00 41.25 38.73 2cr6 s ASN 60 CO 0.36 -0.49 -0.06 -1.61 -2.57 0.00 0.00 177.10 172.72 2cr6 s GLU 61 N -1.05 1.15 -0.21 -0.60 8.01 -1.01 -0.93 118.70 124.06 2cr6 s GLU 61 Ca 0.52 -0.18 -0.02 0.00 0.01 0.00 0.00 54.97 55.30 2cr6 s GLU 61 Cb -0.38 -1.14 0.06 0.00 -4.31 0.00 0.00 34.13 28.36 2cr6 s GLU 61 CO 0.45 -0.12 0.02 0.42 0.01 0.00 0.00 175.26 176.05 2cr6 s ILE 62 N 1.16 0.72 0.54 -1.63 1.01 -1.26 -0.13 121.20 121.61 2cr6 s ILE 62 Ca -0.07 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.90 2cr6 s ILE 62 Cb -0.14 -1.20 0.10 0.00 0.01 0.00 0.00 42.46 41.22 2cr6 s ILE 62 CO -0.01 -0.22 0.75 0.47 0.00 0.00 0.00 174.94 175.92 2cr6 n ASP 63 N 4.97 1.52 -3.04 3.58 9.92 -0.10 -4.98 116.55 128.42 2cr6 n ASP 63 Ca -0.09 -2.16 -0.19 0.00 -0.53 0.00 0.00 54.79 51.82 2cr6 n ASP 63 Cb 0.46 -0.44 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 2cr6 n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cr6 n ALA 64 N -2.63 1.14 -0.75 2.24 0.00 -1.26 -3.46 120.51 115.79 2cr6 n ALA 64 Ca -0.12 -2.73 -0.32 0.00 0.00 0.00 0.00 53.44 50.26 2cr6 n ALA 64 Cb 0.50 -0.99 0.14 0.00 0.00 0.00 0.00 19.45 19.11 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 1.45 -0.43 -2.24 0.00 6.02 0.78 -4.84 117.38 118.12 2cr6 n GLN 65 Ca 0.17 -0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 2cr6 n GLN 65 Cb 0.57 -2.01 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 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 -3.93 4.43 0.00 -1.09 0.04 -1.26 -2.71 135.00 130.48 2cr6 s PRO 66 Ca 0.60 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2cr6 s PRO 66 Cb -0.21 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2cr6 s PRO 66 CO 0.65 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.97 2cr6 n GLY 67 N 1.56 0.92 2.14 0.56 0.00 -1.26 -4.30 105.19 104.81 2cr6 n GLY 67 Ca 0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.13 0.26 3.32 -0.02 0.00 -1.21 -4.71 105.19 100.70 2cr6 n GLY 68 Ca 0.00 -0.51 -0.46 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.67 3.50 -0.45 1.61 2.02 -1.10 -1.52 117.35 118.75 2cr6 s TYR 69 Ca 0.08 -1.64 -0.23 0.00 -0.37 0.00 0.00 57.07 54.91 2cr6 s TYR 69 Cb -0.04 -3.80 0.03 0.00 -0.40 0.00 0.00 41.96 37.75 2cr6 s TYR 69 CO 0.10 -1.00 0.76 -1.01 -1.57 0.00 0.00 175.55 172.83 2cr6 s HIS 70 N 0.89 3.00 -0.15 2.71 3.76 -1.07 -0.15 115.29 124.28 2cr6 s HIS 70 Ca 0.10 0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 55.01 2cr6 s HIS 70 Cb -0.20 -3.62 -0.05 0.00 1.11 0.00 0.00 32.58 29.82 2cr6 s HIS 70 CO -0.03 -0.98 0.19 0.08 -0.85 0.00 0.00 174.74 173.15 2cr6 s VAL 71 N 3.22 5.39 -0.25 -0.90 1.01 -1.22 -3.36 120.40 124.29 2cr6 s VAL 71 Ca 0.28 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2cr6 s VAL 71 Cb -0.13 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.80 2cr6 s VAL 71 CO 0.22 0.50 -0.10 -0.22 0.00 0.00 0.00 175.10 175.49 2cr6 s LEU 72 N -0.17 3.23 -0.77 3.92 2.96 -1.19 -0.93 118.68 125.73 2cr6 s LEU 72 Ca 0.13 -1.15 -0.06 0.00 -0.22 0.00 0.00 54.13 52.83 2cr6 s LEU 72 Cb -0.12 -1.58 0.20 0.00 0.50 0.00 0.00 46.19 45.18 2cr6 s LEU 72 CO 0.02 -0.16 0.64 -0.89 -1.32 0.00 0.00 176.35 174.65 2cr6 s THR 73 N 1.20 4.52 -0.76 3.68 2.01 0.82 -1.74 115.64 125.37 2cr6 s THR 73 Ca -0.04 -3.04 -0.26 0.00 0.31 0.00 0.00 61.69 58.66 2cr6 s THR 73 Cb -0.18 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2cr6 s THR 73 CO -0.06 -0.98 1.63 -0.76 -0.69 0.00 0.00 174.62 173.76 2cr6 s LEU 74 N -0.34 3.26 0.42 4.42 1.43 -1.01 -2.41 118.68 124.45 2cr6 s LEU 74 Ca 0.20 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 2cr6 s LEU 74 Cb -0.14 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.43 2cr6 s LEU 74 CO -0.07 -2.14 0.91 -0.13 0.23 0.00 0.00 176.35 175.16 2cr6 s ARG 75 N 6.32 4.14 -0.74 1.70 0.52 -1.09 -3.10 118.95 126.68 2cr6 s ARG 75 Ca 0.54 1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 56.74 2cr6 s ARG 75 Cb -0.08 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.17 2cr6 s ARG 75 CO 0.11 -0.04 0.68 1.04 0.02 0.00 0.00 175.30 177.11 2cr6 n GLN 76 N -0.76 -1.42 -2.57 3.54 6.02 -1.07 -4.62 117.38 116.50 2cr6 n GLN 76 Ca 0.06 1.37 -0.24 0.00 -0.01 0.00 0.00 57.00 58.18 2cr6 n GLN 76 Cb 0.54 -5.01 0.13 0.00 1.02 0.00 0.00 30.24 26.92 2cr6 n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2cr6 s LEU 77 N -4.13 2.91 0.05 1.08 1.43 -1.23 -4.61 118.68 114.19 2cr6 s LEU 77 Ca 0.01 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2cr6 s LEU 77 Cb -0.00 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2cr6 s LEU 77 CO 0.78 -2.07 0.10 0.00 0.23 0.00 0.00 176.35 175.39 2cr6 s ALA 78 N -3.25 -0.01 0.43 4.21 0.00 -1.26 -0.28 121.76 121.59 2cr6 s ALA 78 Ca 0.69 -0.67 0.36 0.00 0.00 0.00 0.00 51.96 52.34 2cr6 s ALA 78 Cb -0.04 0.31 1.96 0.00 0.00 0.00 0.00 23.12 25.34 2cr6 s ALA 78 CO 0.46 -0.37 2.10 -0.07 0.00 0.00 0.00 175.76 177.88 2cr6 h LEU 79 N 3.37 0.00 -1.61 0.00 3.38 -1.88 0.23 115.31 118.80 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 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2cr6 h LEU 79 CO 0.54 0.00 0.00 2.29 0.09 0.00 0.00 178.44 181.36 2cr6 n LYS 80 N -2.81 2.16 -0.00 1.13 0.00 -1.26 -3.58 118.16 113.79 2cr6 n LYS 80 Ca -0.02 -1.39 0.07 0.00 -0.00 0.00 0.00 58.31 56.96 2cr6 n LYS 80 Cb 0.11 -1.45 -0.09 0.00 -0.00 0.00 0.00 35.03 33.60 2cr6 n LYS 80 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2cr6 n ASP 81 N 0.51 1.00 -4.57 -5.58 5.68 0.82 -4.93 116.55 109.48 2cr6 n ASP 81 Ca 0.13 -0.55 -0.39 0.00 -0.50 0.00 0.00 54.79 53.48 2cr6 n ASP 81 Cb 0.43 1.22 -0.03 0.00 -1.14 0.00 0.00 41.12 41.60 2cr6 n ASP 81 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2cr6 s SER 82 N -2.78 4.90 0.00 -1.12 0.01 -1.23 -4.67 113.70 108.80 2cr6 s SER 82 Ca 0.02 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2cr6 s SER 82 Cb 0.10 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2cr6 s SER 82 CO 0.59 -2.50 0.00 0.61 0.41 0.00 0.00 173.24 172.34 2cr6 n GLY 83 N 5.86 2.14 3.33 3.44 0.00 0.34 -4.93 105.19 115.37 2cr6 n GLY 83 Ca 0.32 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 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 2.11 -0.78 0.00 2.61 2.01 -1.26 -1.60 115.64 118.73 2cr6 s THR 84 Ca 0.00 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 2cr6 s THR 84 Cb 0.00 -0.81 -0.07 0.00 0.01 0.00 0.00 72.50 71.63 2cr6 s THR 84 CO 0.00 0.02 1.63 -0.63 -0.69 0.00 0.00 174.62 174.95 2cr6 s ILE 85 N 2.71 3.37 -0.73 1.82 -1.09 -0.58 -1.90 121.20 124.80 2cr6 s ILE 85 Ca 0.01 0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 59.04 2cr6 s ILE 85 Cb -0.13 -3.42 0.19 0.00 -1.58 0.00 0.00 42.46 37.52 2cr6 s ILE 85 CO -0.16 -0.03 0.58 -0.31 -1.23 0.00 0.00 174.94 173.79 2cr6 s TYR 86 N 3.33 3.58 0.53 3.97 2.02 0.87 -2.54 117.35 129.11 2cr6 s TYR 86 Ca 0.73 -2.74 -0.20 0.00 -0.37 0.00 0.00 57.07 54.49 2cr6 s TYR 86 Cb -0.36 -3.28 -0.06 0.00 -0.40 0.00 0.00 41.96 37.86 2cr6 s TYR 86 CO 0.31 -0.82 1.13 0.12 -1.57 0.00 0.00 175.55 174.71 2cr6 s PHE 87 N -0.44 2.72 -0.03 2.71 5.36 -1.14 -2.34 117.98 124.82 2cr6 s PHE 87 Ca 0.20 1.54 0.02 0.00 -0.96 0.00 0.00 56.93 57.73 2cr6 s PHE 87 Cb -0.15 -3.30 0.01 0.00 -0.34 0.00 0.00 43.02 39.24 2cr6 s PHE 87 CO -0.07 -1.53 -0.06 -1.21 -1.46 0.00 0.00 175.22 170.89 2cr6 s GLU 88 N -3.19 0.76 -0.31 10.12 2.02 -0.80 -2.33 118.70 124.97 2cr6 s GLU 88 Ca 0.71 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 55.50 2cr6 s GLU 88 Cb -0.24 -0.74 0.19 0.00 0.10 0.00 0.00 34.13 33.44 2cr6 s GLU 88 CO 0.28 0.04 0.78 0.00 0.02 0.00 0.00 175.26 176.38 2cr6 s ALA 89 N 0.38 -3.09 0.00 5.21 0.00 -1.23 -2.86 121.76 120.18 2cr6 s ALA 89 Ca -0.05 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2cr6 s ALA 89 Cb -0.09 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2cr6 s ALA 89 CO 0.00 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.16 2cr6 n GLY 90 N 5.08 2.00 0.53 0.00 0.00 -1.26 -2.93 105.19 108.60 2cr6 n GLY 90 Ca 0.07 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 9.71 3.15 -4.73 1.61 9.92 -1.26 -5.01 116.55 129.94 2cr6 n ASP 91 Ca 0.00 -3.08 -0.28 0.00 -0.53 0.00 0.00 54.79 50.90 2cr6 n ASP 91 Cb 0.00 -0.50 -0.08 0.00 -0.64 0.00 0.00 41.12 39.91 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 -2.87 2.14 -0.30 -1.24 -1.52 -1.15 -5.02 119.66 109.71 2cr6 s GLN 92 Ca 0.38 -2.09 -0.11 0.00 -1.95 0.00 0.00 55.36 51.59 2cr6 s GLN 92 Cb 0.32 -1.77 0.15 0.00 -0.22 0.00 0.00 33.01 31.48 2cr6 s GLN 92 CO 0.06 -0.22 0.77 0.50 -0.25 0.00 0.00 175.29 176.15 2cr6 s ARG 93 N -3.88 0.47 0.59 2.91 3.52 -1.26 -3.50 118.95 117.79 2cr6 s ARG 93 Ca 0.29 1.12 -0.05 0.00 -0.13 0.00 0.00 55.73 56.96 2cr6 s ARG 93 Cb 0.04 0.67 0.01 0.00 -1.56 0.00 0.00 34.95 34.12 2cr6 s ARG 93 CO 0.16 -0.22 0.89 0.00 -0.81 0.00 0.00 175.30 175.32 2cr6 s ALA 94 N 2.75 3.34 -0.22 6.12 0.00 -0.98 -4.91 121.76 127.87 2cr6 s ALA 94 Ca -0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 2cr6 s ALA 94 Cb -0.10 -2.55 0.11 0.00 0.00 0.00 0.00 23.12 20.57 2cr6 s ALA 94 CO -0.18 -0.81 0.42 -1.54 0.00 0.00 0.00 175.76 173.64 2cr6 s SER 95 N -4.32 -0.16 0.01 0.00 1.04 -1.25 -2.87 113.70 106.15 2cr6 s SER 95 Ca 0.54 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.77 2cr6 s SER 95 Cb -0.10 1.33 -0.02 0.00 0.10 0.00 0.00 66.02 67.33 2cr6 s SER 95 CO 0.44 -0.25 -0.15 0.00 0.98 0.00 0.00 173.24 174.26 2cr6 s ALA 96 N 2.61 1.26 -0.56 5.32 0.00 -1.05 -4.77 121.76 124.57 2cr6 s ALA 96 Ca 0.04 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 2cr6 s ALA 96 Cb -0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 2cr6 s ALA 96 CO -0.14 0.29 1.65 0.00 0.00 0.00 0.00 175.76 177.55 2cr6 s ALA 97 N -0.51 2.56 -0.76 0.00 0.00 -1.26 -1.52 121.76 120.26 2cr6 s ALA 97 Ca 0.05 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 2cr6 s ALA 97 Cb -0.06 -4.18 0.10 0.00 0.00 0.00 0.00 23.12 18.98 2cr6 s ALA 97 CO 0.00 -3.29 0.98 -1.17 0.00 0.00 0.00 175.76 172.28 2cr6 s LEU 98 N 7.38 4.89 -0.14 0.00 2.96 -0.63 -1.84 118.68 131.30 2cr6 s LEU 98 Ca 0.61 -1.54 -0.12 0.00 -0.22 0.00 0.00 54.13 52.86 2cr6 s LEU 98 Cb -0.13 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2cr6 s LEU 98 CO 0.24 -1.21 0.25 -0.13 -1.32 0.00 0.00 176.35 174.18 2cr6 s ARG 99 N 3.17 4.07 -0.25 1.98 0.52 0.60 -0.51 118.95 128.55 2cr6 s ARG 99 Ca 0.25 0.04 -0.04 0.00 -0.52 0.00 0.00 55.73 55.46 2cr6 s ARG 99 Cb -0.13 -3.36 0.08 0.00 0.52 0.00 0.00 34.95 32.06 2cr6 s ARG 99 CO 0.01 0.39 0.10 0.08 0.02 0.00 0.00 175.30 175.90 2cr6 s VAL 100 N 0.02 0.18 0.85 3.52 1.01 -1.26 -2.59 120.40 122.12 2cr6 s VAL 100 Ca 0.16 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 2cr6 s VAL 100 Cb -0.13 -1.00 0.17 0.00 0.00 0.00 0.00 36.38 35.42 2cr6 s VAL 100 CO 0.04 -0.52 1.17 0.42 0.00 0.00 0.00 175.10 176.21 2cr6 s THR 101 N 1.99 2.05 1.12 3.92 -4.23 0.85 -4.70 115.64 116.64 2cr6 s THR 101 Ca 0.06 -0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 2cr6 s THR 101 Cb -0.16 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.18 2cr6 s THR 101 CO -0.23 0.00 1.05 -1.61 -0.54 0.00 0.00 174.62 173.28 2cr6 s GLU 102 N -5.53 -0.56 0.18 3.99 2.02 -1.26 -0.06 118.70 117.47 2cr6 s GLU 102 Ca 0.71 0.86 0.08 0.00 0.02 0.00 0.00 54.97 56.64 2cr6 s GLU 102 Cb -0.04 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.55 2cr6 s GLU 102 CO 0.49 -3.49 -0.17 -1.59 0.02 0.00 0.00 175.26 170.52 2cr6 s LYS 103 N -4.55 1.28 0.34 1.61 0.00 -1.26 -4.06 119.74 113.10 2cr6 s LYS 103 Ca 0.68 -1.45 0.13 0.00 0.00 0.00 0.00 55.97 55.33 2cr6 s LYS 103 Cb -0.24 -1.25 0.61 0.00 0.00 0.00 0.00 37.83 36.95 2cr6 s LYS 103 CO 0.63 0.24 1.75 -1.00 0.00 0.00 0.00 175.35 176.96 2cr6 h PRO 104 N 3.05 0.00 0.00 1.78 0.13 -1.97 -3.45 132.00 131.55 2cr6 h PRO 104 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2cr6 h PRO 104 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cr6 h PRO 104 CO 0.54 0.45 0.00 0.43 -0.23 0.00 0.00 178.00 179.20 2cr6 n SER 105 N -3.90 -0.55 -0.02 1.44 7.64 -1.26 -5.05 113.62 111.92 2cr6 n SER 105 Ca -0.01 -0.69 -0.03 0.00 1.01 0.00 0.00 58.87 59.14 2cr6 n SER 105 Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 2cr6 n SER 105 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2cr6 n VAL 106 N -2.22 0.22 -0.75 0.44 0.31 -1.26 -5.06 118.33 110.00 2cr6 n VAL 106 Ca 0.00 -0.07 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 2cr6 n VAL 106 Cb 0.00 -1.01 0.14 0.00 -0.91 0.00 0.00 33.84 32.06 2cr6 n VAL 106 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2cr6 n PHE 107 N -2.84 -1.58 -3.83 3.52 7.35 -1.26 -5.03 117.46 113.79 2cr6 n PHE 107 Ca -0.07 0.19 -0.07 0.00 -0.76 0.00 0.00 57.45 56.74 2cr6 n PHE 107 Cb 0.56 -1.66 0.00 0.00 0.35 0.00 0.00 39.48 38.74 2cr6 n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2cr6 s SER 108 N -1.87 -0.13 -1.05 -2.13 1.04 -1.26 -4.96 113.70 103.34 2cr6 s SER 108 Ca 0.55 -0.80 -0.23 0.00 0.48 0.00 0.00 55.95 55.96 2cr6 s SER 108 Cb -0.16 0.73 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 2cr6 s SER 108 CO 0.67 -1.40 1.74 -0.60 0.98 0.00 0.00 173.24 174.63 2cr6 s ARG 109 N -3.08 3.13 -0.08 4.02 3.52 -1.25 -4.93 118.95 120.29 2cr6 s ARG 109 Ca 0.14 -0.98 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 2cr6 s ARG 109 Cb -0.05 -5.27 0.01 0.00 -1.56 0.00 0.00 34.95 28.08 2cr6 s ARG 109 CO 0.08 -2.89 -0.17 0.45 -0.81 0.00 0.00 175.30 171.97 2cr6 s SER 110 N 6.14 2.25 0.00 -2.12 0.15 -1.26 -4.91 113.70 113.95 2cr6 s SER 110 Ca 0.59 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2cr6 s SER 110 Cb -0.02 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2cr6 s SER 110 CO -0.01 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2cr6 n GLY 111 N 3.70 0.41 3.55 9.45 0.00 -1.26 -4.98 105.19 116.07 2cr6 n GLY 111 Ca -0.21 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 2cr6 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr6 s PRO 112 N -1.63 2.60 0.00 1.61 0.04 -1.26 -4.88 135.00 131.48 2cr6 s PRO 112 Ca 0.00 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.26 2cr6 s PRO 112 Cb 0.00 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.86 2cr6 s PRO 112 CO 0.00 -3.01 1.00 0.45 0.04 0.00 0.00 177.00 175.48 2cr6 n SER 113 N 13.27 0.00 -0.27 6.66 2.88 -1.26 -2.89 113.62 132.01 2cr6 n SER 113 Ca 0.29 1.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.83 2cr6 n SER 113 Cb 0.50 -0.50 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 2cr6 n SER 113 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2cr6 h SER 114 N 0.00 0.64 0.00 -3.46 0.87 -2.03 -3.56 113.55 106.01 2cr6 h SER 114 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2cr6 h SER 114 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2cr6 h SER 114 CO 0.00 0.39 0.00 0.61 -0.53 0.00 0.00 176.83 177.30