#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 -0.35 0.43 1.61 0.01 -1.26 -5.07 113.70 109.07 2cr6 s SER 2 Ca 0.00 0.65 0.07 0.00 1.31 0.00 0.00 55.95 57.99 2cr6 s SER 2 Cb 0.00 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 2cr6 s SER 2 CO 0.00 -4.91 0.24 -0.55 0.41 0.00 0.00 173.24 168.44 2cr6 s SER 3 N -3.60 4.59 0.00 2.44 0.15 -1.26 -5.13 113.70 110.89 2cr6 s SER 3 Ca 0.70 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2cr6 s SER 3 Cb -0.10 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2cr6 s SER 3 CO 0.56 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2cr6 n GLY 4 N -1.36 -0.08 3.56 9.45 0.00 -1.26 -5.17 105.19 110.33 2cr6 n GLY 4 Ca -0.00 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 2cr6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr6 s SER 5 N 0.00 3.11 0.13 1.61 1.04 -1.26 -5.17 113.70 113.15 2cr6 s SER 5 Ca 0.00 -1.50 0.02 0.00 0.48 0.00 0.00 55.95 54.95 2cr6 s SER 5 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2cr6 s SER 5 CO 0.00 -0.70 -0.05 -0.55 0.98 0.00 0.00 173.24 172.91 2cr6 s SER 6 N -3.63 1.29 -0.25 7.02 0.15 -1.26 -5.17 113.70 111.85 2cr6 s SER 6 Ca 0.27 -1.05 -0.26 0.00 0.70 0.00 0.00 55.95 55.61 2cr6 s SER 6 Cb 0.06 0.08 0.11 0.00 -1.71 0.00 0.00 66.02 64.56 2cr6 s SER 6 CO 0.13 -0.47 0.97 -0.83 1.20 0.00 0.00 173.24 174.24 2cr6 s GLY 7 N -3.11 -0.24 -0.53 9.45 0.00 -1.26 -5.11 107.32 106.52 2cr6 s GLY 7 Ca 0.16 2.42 0.05 0.00 0.00 0.00 0.00 44.72 47.35 2cr6 s GLY 7 CO -0.01 1.66 0.43 -0.10 0.00 0.00 0.00 173.10 175.07 2cr6 n LEU 8 N 1.99 1.06 -3.97 0.66 0.00 -1.26 -5.09 117.00 110.39 2cr6 n LEU 8 Ca -0.13 -4.75 -0.16 0.00 0.00 0.00 0.00 56.01 50.97 2cr6 n LEU 8 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.84 2cr6 n LEU 8 CO 0.05 1.84 -0.41 -0.69 0.00 0.00 0.00 177.39 178.19 2cr6 s VAL 9 N -0.70 0.47 0.01 1.96 1.01 -1.26 -5.15 120.40 116.74 2cr6 s VAL 9 Ca 0.30 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 2cr6 s VAL 9 Cb 0.02 -0.40 0.10 0.00 0.00 0.00 0.00 36.38 36.10 2cr6 s VAL 9 CO -0.18 0.13 1.01 0.00 0.00 0.00 0.00 175.10 176.06 2cr6 s GLN 10 N -0.15 0.80 0.00 2.72 -2.07 -1.26 -5.14 119.66 114.55 2cr6 s GLN 10 Ca 0.02 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2cr6 s GLN 10 Cb -0.02 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 2cr6 s GLN 10 CO -0.00 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 2cr6 n GLY 11 N -0.32 -0.01 2.14 2.60 0.00 -1.26 -5.07 105.19 103.28 2cr6 n GLY 11 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -3.72 -3.71 1.61 1.74 -1.26 -5.06 116.66 106.26 2cr6 n ARG 12 Ca 0.00 -0.95 -0.12 0.00 -0.77 0.00 0.00 57.85 56.02 2cr6 n ARG 12 Cb 0.00 -1.26 -0.12 0.00 -1.02 0.00 0.00 32.46 30.05 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 -4.27 0.26 -0.10 5.56 6.06 -1.26 -4.98 118.95 120.21 2cr6 s ARG 13 Ca 0.43 0.66 -0.03 0.00 -2.50 0.00 0.00 55.73 54.30 2cr6 s ARG 13 Cb -0.08 -0.06 -0.03 0.00 0.06 0.00 0.00 34.95 34.84 2cr6 s ARG 13 CO 0.36 -0.18 0.01 0.08 -2.50 0.00 0.00 175.30 173.07 2cr6 s VAL 14 N 1.53 4.39 -0.17 7.11 1.01 -1.26 -4.34 120.40 128.67 2cr6 s VAL 14 Ca -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2cr6 s VAL 14 Cb -0.10 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.45 2cr6 s VAL 14 CO -0.10 0.58 -0.06 -1.00 0.00 0.00 0.00 175.10 174.52 2cr6 s HIS 15 N -0.64 1.80 -0.67 5.22 3.76 -1.02 -4.69 115.29 119.05 2cr6 s HIS 15 Ca 0.11 -1.14 -0.26 0.00 -0.15 0.00 0.00 55.06 53.61 2cr6 s HIS 15 Cb -0.12 -1.36 -0.07 0.00 1.11 0.00 0.00 32.58 32.14 2cr6 s HIS 15 CO 0.02 -0.63 2.18 0.42 -0.85 0.00 0.00 174.74 175.88 2cr6 s ILE 16 N 1.60 3.18 -0.00 0.60 -1.09 -1.26 -1.78 121.20 122.44 2cr6 s ILE 16 Ca 0.01 -0.02 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 2cr6 s ILE 16 Cb -0.15 -3.44 -0.07 0.00 -1.58 0.00 0.00 42.46 37.22 2cr6 s ILE 16 CO -0.08 -0.42 0.76 0.40 -1.23 0.00 0.00 174.94 174.37 2cr6 h ILE 17 N 7.41 0.00 -2.96 2.92 2.04 -1.12 -3.41 117.51 122.39 2cr6 h ILE 17 Ca -0.13 -0.25 -0.61 0.00 1.00 0.00 0.00 64.86 64.87 2cr6 h ILE 17 Cb 1.13 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.80 2cr6 h ILE 17 CO 1.15 0.00 -0.69 -1.61 0.00 0.00 0.00 178.15 177.00 2cr6 s GLU 18 N -3.26 1.92 0.83 2.37 2.02 0.84 -4.96 118.70 118.45 2cr6 s GLU 18 Ca -0.07 -2.81 -0.14 0.00 0.02 0.00 0.00 54.97 51.97 2cr6 s GLU 18 Cb 0.01 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.40 2cr6 s GLU 18 CO 0.20 -1.27 0.54 -3.47 0.02 0.00 0.00 175.26 171.28 2cr6 n ASP 19 N 2.51 -1.36 -4.16 -0.19 -0.08 -1.26 -1.37 116.55 110.64 2cr6 n ASP 19 Ca 0.18 0.48 -0.30 0.00 -1.51 0.00 0.00 54.79 53.64 2cr6 n ASP 19 Cb 0.37 -1.24 0.18 0.00 2.34 0.00 0.00 41.12 42.77 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 -1.01 -2.13 0.00 -2.67 4.77 -1.26 -4.83 117.00 109.88 2cr6 n LEU 20 Ca 0.09 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2cr6 n LEU 20 Cb 0.51 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2cr6 n LEU 20 CO 0.50 -3.17 0.00 -0.62 -1.33 0.00 0.00 177.39 172.77 2cr6 n GLU 21 N -2.40 0.00 0.00 3.23 1.02 -1.26 -4.87 120.64 116.36 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 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 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 -1.70 0.00 -3.74 1.62 5.75 -1.26 -4.08 116.55 113.14 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 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 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 -0.28 2.12 1.01 -0.82 -4.97 120.40 115.49 2cr6 s VAL 23 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2cr6 s VAL 23 Cb 0.00 -0.57 0.16 0.00 0.00 0.00 0.00 36.38 35.97 2cr6 s VAL 23 CO 0.00 -0.10 0.46 1.51 0.00 0.00 0.00 175.10 176.97 2cr6 s ASP 24 N -0.40 -0.24 0.12 3.32 -4.77 -1.25 -0.11 116.67 113.34 2cr6 s ASP 24 Ca -0.05 0.10 -0.11 0.00 -3.30 0.00 0.00 52.55 49.19 2cr6 s ASP 24 Cb -0.03 1.42 0.01 0.00 -1.09 0.00 0.00 42.92 43.22 2cr6 s ASP 24 CO 0.02 -0.31 0.28 0.68 0.70 0.00 0.00 175.17 176.54 2cr6 s VAL 25 N 2.64 0.10 0.29 2.11 -7.23 -1.16 -4.99 120.40 112.16 2cr6 s VAL 25 Ca 0.13 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 2cr6 s VAL 25 Cb -0.13 -1.45 -0.11 0.00 0.56 0.00 0.00 36.38 35.24 2cr6 s VAL 25 CO -0.24 -0.46 1.57 0.00 -0.31 0.00 0.00 175.10 175.67 2cr6 s GLN 26 N -3.88 4.14 0.47 4.82 -2.07 -1.26 -2.37 119.66 119.51 2cr6 s GLN 26 Ca 0.08 2.55 -0.22 0.00 -1.82 0.00 0.00 55.36 55.94 2cr6 s GLN 26 Cb 0.03 -3.03 -0.09 0.00 -1.09 0.00 0.00 33.01 28.83 2cr6 s GLN 26 CO -0.08 -0.60 0.92 -0.85 -1.32 0.00 0.00 175.29 173.36 2cr6 n GLU 27 N 2.12 1.13 0.00 9.60 -0.00 0.85 -2.51 120.64 131.83 2cr6 n GLU 27 Ca 0.08 0.41 0.00 0.00 -0.00 0.00 0.00 57.16 57.65 2cr6 n GLU 27 Cb 0.38 -2.00 0.00 0.00 -0.00 0.00 0.00 31.44 29.81 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 1.30 1.25 2.39 -1.84 0.00 0.73 -4.51 105.19 104.52 2cr6 n GLY 28 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 0.68 -4.24 1.61 7.64 -1.04 -2.66 113.62 115.60 2cr6 n SER 29 Ca 0.00 -1.62 -0.41 0.00 1.01 0.00 0.00 58.87 57.85 2cr6 n SER 29 Cb 0.00 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.67 2cr6 n SER 29 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr6 s SER 30 N -3.61 5.71 -0.25 6.43 0.01 -1.26 -2.96 113.70 117.77 2cr6 s SER 30 Ca 0.42 -1.76 -0.25 0.00 1.31 0.00 0.00 55.95 55.68 2cr6 s SER 30 Cb -0.02 -2.01 -0.00 0.00 0.21 0.00 0.00 66.02 64.19 2cr6 s SER 30 CO 0.28 -0.64 0.83 0.00 0.41 0.00 0.00 173.24 174.12 2cr6 s ALA 31 N 1.40 3.63 0.01 1.44 0.00 -1.22 -4.82 121.76 122.20 2cr6 s ALA 31 Ca 0.05 -0.17 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 2cr6 s ALA 31 Cb -0.25 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2cr6 s ALA 31 CO 0.00 -0.98 0.71 0.99 0.00 0.00 0.00 175.76 176.49 2cr6 s THR 32 N 2.88 4.83 -0.46 0.00 2.01 -1.25 -2.88 115.64 120.78 2cr6 s THR 32 Ca 0.35 1.50 0.02 0.00 0.31 0.00 0.00 61.69 63.88 2cr6 s THR 32 Cb -0.15 -4.06 0.14 0.00 0.01 0.00 0.00 72.50 68.44 2cr6 s THR 32 CO 0.08 0.36 0.26 -0.36 -0.69 0.00 0.00 174.62 174.27 2cr6 s PHE 33 N 0.07 2.05 0.35 4.92 0.08 -0.58 -4.90 117.98 119.97 2cr6 s PHE 33 Ca 0.37 -2.49 -0.18 0.00 0.12 0.00 0.00 56.93 54.75 2cr6 s PHE 33 Cb -0.19 -1.89 -0.10 0.00 -0.57 0.00 0.00 43.02 40.27 2cr6 s PHE 33 CO 0.21 -0.77 0.82 1.03 -0.10 0.00 0.00 175.22 176.40 2cr6 s ARG 34 N 0.20 4.12 -0.29 0.44 0.52 -1.26 -2.73 118.95 119.95 2cr6 s ARG 34 Ca 0.19 0.86 -0.14 0.00 -0.52 0.00 0.00 55.73 56.12 2cr6 s ARG 34 Cb -0.21 -2.39 0.12 0.00 0.52 0.00 0.00 34.95 32.99 2cr6 s ARG 34 CO -0.02 0.12 0.80 0.00 0.02 0.00 0.00 175.30 176.21 2cr6 s ARG 36 N 1.97 3.26 -0.05 0.00 3.52 -0.47 -2.07 118.95 125.12 2cr6 s ARG 36 Ca -0.08 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 2cr6 s ARG 36 Cb -0.06 -3.92 0.01 0.00 -1.56 0.00 0.00 34.95 29.42 2cr6 s ARG 36 CO -0.18 -0.80 -0.10 0.96 -0.81 0.00 0.00 175.30 174.37 2cr6 s ILE 37 N 2.26 0.93 0.33 4.11 -5.25 -0.91 -0.12 121.20 122.54 2cr6 s ILE 37 Ca 0.14 -0.37 -0.08 0.00 -0.99 0.00 0.00 60.65 59.35 2cr6 s ILE 37 Cb -0.16 -0.86 -0.06 0.00 2.95 0.00 0.00 42.46 44.32 2cr6 s ILE 37 CO 0.14 0.30 0.64 -0.55 -1.79 0.00 0.00 174.94 173.68 2cr6 s SER 38 N 0.63 6.50 0.56 4.36 0.15 -0.73 -4.00 113.70 121.17 2cr6 s SER 38 Ca -0.12 0.91 -0.19 0.00 0.70 0.00 0.00 55.95 57.25 2cr6 s SER 38 Cb -0.14 -2.23 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 2cr6 s SER 38 CO 0.02 -0.26 1.13 -2.16 1.20 0.00 0.00 173.24 173.17 2cr6 s PRO 39 N -3.56 3.26 0.55 5.44 0.04 -1.26 -2.44 135.00 137.03 2cr6 s PRO 39 Ca 0.47 1.57 0.31 0.00 0.04 0.00 0.00 61.00 63.40 2cr6 s PRO 39 Cb -0.11 -2.00 1.48 0.00 0.04 0.00 0.00 34.50 33.91 2cr6 s PRO 39 CO 0.29 -0.91 1.88 0.00 0.04 0.00 0.00 177.00 178.29 2cr6 h ALA 40 N 1.00 2.74 -0.98 8.56 0.00 -1.88 0.15 119.26 128.86 2cr6 h ALA 40 Ca -0.49 -0.03 -0.67 0.00 0.00 0.00 0.00 54.91 53.72 2cr6 h ALA 40 Cb 1.26 0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.79 2cr6 h ALA 40 CO 0.56 -1.06 0.52 0.27 0.00 0.00 0.00 179.25 179.54 2cr6 n ASN 41 N -4.15 7.03 -4.78 0.00 0.23 -1.26 -2.07 115.26 110.26 2cr6 n ASN 41 Ca 0.17 -3.79 -0.39 0.00 -0.53 0.00 0.00 54.58 50.04 2cr6 n ASN 41 Cb 0.93 -0.85 -0.06 0.00 -2.08 0.00 0.00 39.78 37.72 2cr6 n ASN 41 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2cr6 s TYR 42 N -3.81 3.80 0.00 -2.53 6.14 0.52 -5.04 117.35 116.43 2cr6 s TYR 42 Ca 0.60 1.42 0.00 0.00 0.64 0.00 0.00 57.07 59.73 2cr6 s TYR 42 Cb 0.48 -2.68 0.00 0.00 0.42 0.00 0.00 41.96 40.17 2cr6 s TYR 42 CO -0.07 0.45 0.00 -0.85 0.64 0.00 0.00 175.55 175.72 2cr6 n GLU 43 N 2.12 0.00 -1.09 4.97 0.28 -1.26 -4.73 120.64 120.92 2cr6 n GLU 43 Ca -0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.64 2cr6 n GLU 43 Cb 0.50 0.00 0.24 0.00 1.43 0.00 0.00 31.44 33.60 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 -1.10 0.05 3.44 0.04 -1.26 -5.18 135.00 128.99 2cr6 s PRO 44 Ca 0.00 -0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.08 2cr6 s PRO 44 Cb 0.00 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 2cr6 s PRO 44 CO 0.00 -3.64 -0.20 0.14 0.04 0.00 0.00 177.00 173.34 2cr6 s VAL 45 N -3.01 1.58 0.16 -0.36 -7.23 -1.26 -4.99 120.40 105.29 2cr6 s VAL 45 Ca 0.70 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 2cr6 s VAL 45 Cb -0.10 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 2cr6 s VAL 45 CO 0.56 0.16 0.07 -1.00 -0.31 0.00 0.00 175.10 174.57 2cr6 s HIS 46 N -0.83 3.01 -0.08 2.82 3.76 -1.18 -5.05 115.29 117.75 2cr6 s HIS 46 Ca 0.06 -0.06 -0.03 0.00 -0.15 0.00 0.00 55.06 54.88 2cr6 s HIS 46 Cb -0.09 -1.47 0.04 0.00 1.11 0.00 0.00 32.58 32.18 2cr6 s HIS 46 CO 0.02 0.52 0.16 -1.58 -0.85 0.00 0.00 174.74 173.01 2cr6 s TRP 47 N -1.68 -0.19 0.23 1.40 0.52 -1.26 -2.68 118.94 115.28 2cr6 s TRP 47 Ca 0.29 0.58 0.08 0.00 0.02 0.00 0.00 56.10 57.07 2cr6 s TRP 47 Cb -0.10 -0.17 -0.05 0.00 -1.15 0.00 0.00 33.47 32.00 2cr6 s TRP 47 CO 0.21 -0.23 -0.12 -0.06 0.02 0.00 0.00 176.95 176.77 2cr6 s PHE 48 N 1.81 1.83 -0.22 -1.98 0.40 -1.10 -0.10 117.98 118.62 2cr6 s PHE 48 Ca -0.02 -0.59 -0.05 0.00 -0.60 0.00 0.00 56.93 55.67 2cr6 s PHE 48 Cb -0.12 -0.91 0.08 0.00 0.51 0.00 0.00 43.02 42.58 2cr6 s PHE 48 CO -0.06 0.36 0.11 -1.17 0.70 0.00 0.00 175.22 175.16 2cr6 s LEU 49 N -3.37 0.42 0.00 -0.37 1.98 -0.06 -0.07 118.68 117.21 2cr6 s LEU 49 Ca 0.25 -0.90 0.00 0.00 -2.89 0.00 0.00 54.13 50.59 2cr6 s LEU 49 Cb 0.00 -0.29 0.00 0.00 0.66 0.00 0.00 46.19 46.57 2cr6 s LEU 49 CO 0.09 -0.39 0.00 0.47 -1.89 0.00 0.00 176.35 174.63 2cr6 n ASP 50 N 5.27 0.00 -2.74 3.68 9.92 -0.91 -2.16 116.55 129.61 2cr6 n ASP 50 Ca -0.07 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 2cr6 n ASP 50 Cb 0.46 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.03 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 1.50 -3.70 -1.24 5.02 -1.26 -5.01 118.16 113.47 2cr6 n LYS 51 Ca 0.00 -2.27 -0.11 0.00 -2.02 0.00 0.00 58.31 53.91 2cr6 n LYS 51 Cb 0.00 -0.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.41 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 0.76 -0.18 2.01 -0.92 -5.16 115.64 110.52 2cr6 s THR 52 Ca 0.18 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.13 2cr6 s THR 52 Cb 0.39 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 72.31 2cr6 s THR 52 CO -0.08 0.02 1.09 -2.16 -0.69 0.00 0.00 174.62 172.80 2cr6 s PRO 53 N 1.09 2.31 -0.03 4.92 0.04 -1.26 -0.89 135.00 141.18 2cr6 s PRO 53 Ca -0.07 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.18 2cr6 s PRO 53 Cb -0.07 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2cr6 s PRO 53 CO -0.10 -1.61 -0.07 -0.51 0.04 0.00 0.00 177.00 174.76 2cr6 s LEU 54 N -5.82 1.62 0.00 -3.56 1.43 0.86 -4.83 118.68 108.38 2cr6 s LEU 54 Ca 0.62 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2cr6 s LEU 54 Cb -0.17 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.56 2cr6 s LEU 54 CO 0.55 0.01 -0.04 -1.00 0.23 0.00 0.00 176.35 176.10 2cr6 s HIS 55 N 0.47 0.37 0.29 0.29 3.76 -1.26 -4.26 115.29 114.95 2cr6 s HIS 55 Ca -0.07 -0.10 -0.28 0.00 -0.15 0.00 0.00 55.06 54.46 2cr6 s HIS 55 Cb -0.11 -0.24 -0.14 0.00 1.11 0.00 0.00 32.58 33.21 2cr6 s HIS 55 CO 0.00 -0.01 1.10 0.00 -0.85 0.00 0.00 174.74 174.98 2cr6 n ALA 56 N 2.87 0.15 -3.00 -1.40 0.00 -1.26 -4.60 120.51 113.26 2cr6 n ALA 56 Ca -0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2cr6 n ALA 56 Cb 0.58 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.20 0.00 0.05 0.00 5.15 0.65 -4.88 115.26 117.44 2cr6 n ASN 57 Ca 0.09 -0.93 0.21 0.00 -0.60 0.00 0.00 54.58 53.34 2cr6 n ASN 57 Cb 0.32 0.00 0.74 0.00 -0.53 0.00 0.00 39.78 40.31 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 0.00 0.00 1.20 4.81 -2.02 -3.02 114.58 115.55 2cr6 h GLU 58 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 2cr6 h GLU 58 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2cr6 h GLU 58 CO 0.00 0.00 -1.72 1.28 -0.73 0.00 0.00 179.01 177.84 2cr6 n LEU 59 N -3.96 2.15 -4.70 1.64 4.77 -1.26 -4.98 117.00 110.66 2cr6 n LEU 59 Ca 0.08 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 2cr6 n LEU 59 Cb 0.61 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2cr6 n LEU 59 CO 0.31 0.53 1.02 0.20 -1.33 0.00 0.00 177.39 178.13 2cr6 s ASN 60 N -5.60 6.94 -0.10 -1.43 -0.87 -1.14 -1.93 114.94 110.81 2cr6 s ASN 60 Ca -0.17 2.07 0.03 0.00 -1.57 0.00 0.00 52.86 53.21 2cr6 s ASN 60 Cb 0.05 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.72 2cr6 s ASN 60 CO 0.26 -0.62 -0.19 -1.61 -2.57 0.00 0.00 177.10 172.37 2cr6 s GLU 61 N 1.83 2.52 -0.35 -0.60 8.01 -1.12 -0.26 118.70 128.72 2cr6 s GLU 61 Ca 0.61 -0.68 -0.00 0.00 0.01 0.00 0.00 54.97 54.91 2cr6 s GLU 61 Cb -0.31 -2.01 0.12 0.00 -4.31 0.00 0.00 34.13 27.62 2cr6 s GLU 61 CO 0.27 0.05 0.16 0.42 0.01 0.00 0.00 175.26 176.16 2cr6 s ILE 62 N 0.67 0.86 0.87 -1.63 1.01 -1.26 -0.32 121.20 121.40 2cr6 s ILE 62 Ca -0.13 -1.73 -0.13 0.00 0.00 0.00 0.00 60.65 58.66 2cr6 s ILE 62 Cb -0.16 -1.64 0.20 0.00 0.01 0.00 0.00 42.46 40.87 2cr6 s ILE 62 CO 0.03 -0.79 1.19 0.47 0.00 0.00 0.00 174.94 175.84 2cr6 n ASP 63 N 4.38 0.31 -3.02 3.58 8.00 0.57 -4.95 116.55 125.43 2cr6 n ASP 63 Ca 0.03 -1.57 -0.17 0.00 0.71 0.00 0.00 54.79 53.79 2cr6 n ASP 63 Cb 0.39 -0.89 -0.01 0.00 -0.02 0.00 0.00 41.12 40.59 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 -3.64 0.98 -0.78 2.24 0.00 -1.26 -3.42 120.51 114.65 2cr6 n ALA 64 Ca -0.19 -2.66 -0.33 0.00 0.00 0.00 0.00 53.44 50.26 2cr6 n ALA 64 Cb 0.54 -1.01 0.13 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 1.15 -0.38 -2.21 0.00 6.02 0.63 -4.85 117.38 117.74 2cr6 n GLN 65 Ca 0.17 -0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 2cr6 n GLN 65 Cb 0.60 -1.90 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 -3.72 4.35 0.00 -1.09 0.04 -1.26 -2.85 135.00 130.46 2cr6 s PRO 66 Ca 0.58 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2cr6 s PRO 66 Cb -0.21 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2cr6 s PRO 66 CO 0.67 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.73 2cr6 n GLY 67 N 3.26 1.35 2.45 0.56 0.00 -1.26 -4.35 105.19 107.19 2cr6 n GLY 67 Ca 0.10 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.38 0.25 3.44 -0.02 0.00 -0.88 -4.65 105.19 102.96 2cr6 n GLY 68 Ca 0.00 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.94 3.15 -0.45 1.61 1.51 -1.13 -2.15 117.35 116.95 2cr6 s TYR 69 Ca 0.00 -1.41 -0.25 0.00 -1.01 0.00 0.00 57.07 54.40 2cr6 s TYR 69 Cb 0.00 -4.26 0.03 0.00 -0.11 0.00 0.00 41.96 37.62 2cr6 s TYR 69 CO 0.00 -1.46 0.88 -1.01 -1.11 0.00 0.00 175.55 172.84 2cr6 s HIS 70 N 2.57 2.96 -0.17 2.71 3.76 -0.88 -0.27 115.29 125.97 2cr6 s HIS 70 Ca 0.32 0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 55.51 2cr6 s HIS 70 Cb -0.05 -3.84 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 2cr6 s HIS 70 CO -0.09 -1.03 0.09 0.08 -0.85 0.00 0.00 174.74 172.94 2cr6 s VAL 71 N 3.58 5.07 -0.24 -0.90 1.01 -1.22 -2.84 120.40 124.85 2cr6 s VAL 71 Ca 0.35 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2cr6 s VAL 71 Cb -0.11 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.04 2cr6 s VAL 71 CO 0.24 0.49 -0.12 -0.22 0.00 0.00 0.00 175.10 175.49 2cr6 s LEU 72 N 0.07 3.11 -0.91 3.92 2.96 -1.10 -0.32 118.68 126.41 2cr6 s LEU 72 Ca 0.07 -1.15 -0.05 0.00 -0.22 0.00 0.00 54.13 52.78 2cr6 s LEU 72 Cb -0.12 -1.55 0.23 0.00 0.50 0.00 0.00 46.19 45.25 2cr6 s LEU 72 CO 0.00 -0.14 0.81 -0.89 -1.32 0.00 0.00 176.35 174.82 2cr6 s THR 73 N 1.18 4.79 -0.80 3.68 2.01 0.56 -1.53 115.64 125.53 2cr6 s THR 73 Ca -0.04 -3.51 -0.25 0.00 0.31 0.00 0.00 61.69 58.19 2cr6 s THR 73 Cb -0.18 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 2cr6 s THR 73 CO -0.07 -1.08 2.02 -0.76 -0.69 0.00 0.00 174.62 174.04 2cr6 s LEU 74 N -1.02 3.16 0.42 4.42 1.43 -1.14 -2.81 118.68 123.15 2cr6 s LEU 74 Ca 0.26 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 2cr6 s LEU 74 Cb -0.10 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 2cr6 s LEU 74 CO -0.10 -2.84 1.09 -0.13 0.23 0.00 0.00 176.35 174.60 2cr6 s ARG 75 N 7.36 4.01 -0.72 1.70 0.52 -0.81 -3.41 118.95 127.60 2cr6 s ARG 75 Ca 0.74 1.61 -0.02 0.00 -0.52 0.00 0.00 55.73 57.53 2cr6 s ARG 75 Cb -0.09 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.89 2cr6 s ARG 75 CO 0.06 -0.29 0.68 1.04 0.02 0.00 0.00 175.30 176.81 2cr6 n GLN 76 N -0.24 -1.47 -2.33 3.54 6.02 -1.09 -4.63 117.38 117.19 2cr6 n GLN 76 Ca 0.06 1.46 -0.26 0.00 -0.01 0.00 0.00 57.00 58.24 2cr6 n GLN 76 Cb 0.49 -5.22 0.16 0.00 1.02 0.00 0.00 30.24 26.69 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 -3.97 2.86 0.03 1.08 1.43 -1.19 -4.58 118.68 114.35 2cr6 s LEU 77 Ca 0.03 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 2cr6 s LEU 77 Cb -0.01 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2cr6 s LEU 77 CO 0.77 -2.36 0.09 0.00 0.23 0.00 0.00 176.35 175.08 2cr6 s ALA 78 N -3.51 -0.05 0.57 4.21 0.00 -1.26 -0.19 121.76 121.53 2cr6 s ALA 78 Ca 0.71 -0.54 0.28 0.00 0.00 0.00 0.00 51.96 52.41 2cr6 s ALA 78 Cb -0.03 0.23 1.50 0.00 0.00 0.00 0.00 23.12 24.82 2cr6 s ALA 78 CO 0.49 -0.30 1.97 -0.07 0.00 0.00 0.00 175.76 177.85 2cr6 h LEU 79 N 3.77 0.00 -0.45 0.00 3.38 -1.85 0.26 115.31 120.42 2cr6 h LEU 79 Ca -0.32 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.48 2cr6 h LEU 79 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2cr6 h LEU 79 CO 0.49 0.00 -0.77 0.07 0.09 0.00 0.00 178.44 178.32 2cr6 h LYS 80 N 0.00 0.13 -0.08 1.13 2.10 -1.95 -3.07 116.57 114.83 2cr6 h LYS 80 Ca 0.20 -0.12 0.02 0.00 -2.00 0.00 0.00 60.65 58.75 2cr6 h LYS 80 Cb 0.98 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2cr6 h LYS 80 CO -0.00 0.83 0.09 0.22 -2.00 0.00 0.00 179.45 178.59 2cr6 h ASP 81 N 0.08 0.00 -1.13 7.07 3.58 -0.87 -3.42 116.42 121.73 2cr6 h ASP 81 Ca -0.02 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.78 2cr6 h ASP 81 Cb 1.35 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.38 2cr6 h ASP 81 CO 0.11 0.00 1.45 -1.54 -2.88 0.00 0.00 179.24 176.38 2cr6 n SER 82 N -3.85 2.13 0.00 2.28 3.41 -1.16 -4.62 113.62 111.82 2cr6 n SER 82 Ca -0.01 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2cr6 n SER 82 Cb 0.19 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 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 6.47 0.87 3.39 5.00 0.00 0.69 -4.95 105.19 116.66 2cr6 n GLY 83 Ca 0.41 0.39 0.01 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.99 0.01 2.61 2.01 -1.26 -1.96 115.64 118.07 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 -0.99 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 2cr6 s THR 84 CO 0.00 -0.00 1.76 -0.63 -0.69 0.00 0.00 174.62 175.05 2cr6 s ILE 85 N 2.87 3.25 -0.82 1.82 -1.09 -0.72 -2.13 121.20 124.38 2cr6 s ILE 85 Ca 0.07 0.42 -0.03 0.00 -2.23 0.00 0.00 60.65 58.88 2cr6 s ILE 85 Cb -0.13 -3.27 0.21 0.00 -1.58 0.00 0.00 42.46 37.68 2cr6 s ILE 85 CO -0.20 -0.03 0.69 -0.31 -1.23 0.00 0.00 174.94 173.87 2cr6 s TYR 86 N 3.80 3.75 0.56 3.97 2.02 0.90 -2.46 117.35 129.90 2cr6 s TYR 86 Ca 0.78 -2.84 -0.20 0.00 -0.37 0.00 0.00 57.07 54.45 2cr6 s TYR 86 Cb -0.38 -3.31 -0.05 0.00 -0.40 0.00 0.00 41.96 37.83 2cr6 s TYR 86 CO 0.34 -0.80 1.20 0.12 -1.57 0.00 0.00 175.55 174.84 2cr6 s PHE 87 N -0.84 2.49 -0.03 2.71 5.36 -1.18 -2.71 117.98 123.78 2cr6 s PHE 87 Ca 0.24 1.51 0.03 0.00 -0.96 0.00 0.00 56.93 57.75 2cr6 s PHE 87 Cb -0.12 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 2cr6 s PHE 87 CO -0.09 -2.07 -0.10 -1.21 -1.46 0.00 0.00 175.22 170.29 2cr6 s GLU 88 N -3.21 1.04 -0.33 10.12 2.02 -1.09 -2.37 118.70 124.88 2cr6 s GLU 88 Ca 0.75 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.40 2cr6 s GLU 88 Cb -0.30 -0.97 0.19 0.00 0.10 0.00 0.00 34.13 33.16 2cr6 s GLU 88 CO 0.33 0.14 0.76 0.00 0.02 0.00 0.00 175.26 176.51 2cr6 s ALA 89 N 0.14 -3.02 0.00 5.21 0.00 -1.14 -3.09 121.76 119.87 2cr6 s ALA 89 Ca -0.03 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2cr6 s ALA 89 Cb -0.08 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2cr6 s ALA 89 CO 0.01 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.10 2cr6 n GLY 90 N 4.88 2.03 0.81 0.00 0.00 -1.26 -2.62 105.19 109.03 2cr6 n GLY 90 Ca 0.08 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 10.03 3.37 -4.47 1.61 9.92 -1.26 -5.01 116.55 130.73 2cr6 n ASP 91 Ca 0.00 -3.18 -0.24 0.00 -0.53 0.00 0.00 54.79 50.85 2cr6 n ASP 91 Cb 0.00 -0.54 -0.10 0.00 -0.64 0.00 0.00 41.12 39.83 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 -2.92 1.67 -0.25 -1.24 -1.52 -1.08 -5.03 119.66 109.30 2cr6 s GLN 92 Ca 0.41 -1.80 -0.05 0.00 -1.95 0.00 0.00 55.36 51.97 2cr6 s GLN 92 Cb 0.34 -1.64 0.13 0.00 -0.22 0.00 0.00 33.01 31.62 2cr6 s GLN 92 CO 0.06 0.25 0.49 0.50 -0.25 0.00 0.00 175.29 176.33 2cr6 s ARG 93 N -3.56 0.42 0.74 2.91 3.52 -1.26 -2.86 118.95 118.85 2cr6 s ARG 93 Ca 0.30 0.99 -0.09 0.00 -0.13 0.00 0.00 55.73 56.80 2cr6 s ARG 93 Cb -0.02 0.27 0.06 0.00 -1.56 0.00 0.00 34.95 33.71 2cr6 s ARG 93 CO 0.14 -0.41 1.07 0.00 -0.81 0.00 0.00 175.30 175.30 2cr6 s ALA 94 N 2.70 2.97 -0.26 6.12 0.00 -1.00 -4.90 121.76 127.39 2cr6 s ALA 94 Ca 0.05 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 2cr6 s ALA 94 Cb -0.13 -2.75 0.14 0.00 0.00 0.00 0.00 23.12 20.37 2cr6 s ALA 94 CO -0.16 -1.40 0.49 -1.54 0.00 0.00 0.00 175.76 173.15 2cr6 s SER 95 N -4.52 -0.52 -0.02 0.00 1.04 -1.25 -3.13 113.70 105.30 2cr6 s SER 95 Ca 0.60 0.79 0.06 0.00 0.48 0.00 0.00 55.95 57.89 2cr6 s SER 95 Cb -0.11 1.63 -0.02 0.00 0.10 0.00 0.00 66.02 67.63 2cr6 s SER 95 CO 0.47 -0.26 -0.21 0.00 0.98 0.00 0.00 173.24 174.21 2cr6 s ALA 96 N 2.70 1.77 -0.62 5.32 0.00 -1.03 -4.79 121.76 125.12 2cr6 s ALA 96 Ca 0.09 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 2cr6 s ALA 96 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2cr6 s ALA 96 CO -0.17 0.42 1.87 0.00 0.00 0.00 0.00 175.76 177.89 2cr6 s ALA 97 N -0.46 2.15 -0.82 0.00 0.00 -1.26 -1.75 121.76 119.62 2cr6 s ALA 97 Ca 0.07 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.15 2cr6 s ALA 97 Cb -0.09 -4.31 0.09 0.00 0.00 0.00 0.00 23.12 18.81 2cr6 s ALA 97 CO -0.00 -3.93 1.11 -1.17 0.00 0.00 0.00 175.76 171.76 2cr6 s LEU 98 N 9.16 4.45 -0.03 0.00 2.96 -0.83 -1.94 118.68 132.44 2cr6 s LEU 98 Ca 0.68 -1.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.05 2cr6 s LEU 98 Cb -0.13 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 2cr6 s LEU 98 CO 0.20 -1.33 0.29 -0.13 -1.32 0.00 0.00 176.35 174.07 2cr6 s ARG 99 N 3.76 3.69 -0.21 1.98 0.52 0.85 -0.23 118.95 129.31 2cr6 s ARG 99 Ca 0.30 0.13 -0.04 0.00 -0.52 0.00 0.00 55.73 55.61 2cr6 s ARG 99 Cb -0.09 -3.17 0.11 0.00 0.52 0.00 0.00 34.95 32.31 2cr6 s ARG 99 CO 0.00 0.70 0.29 0.08 0.02 0.00 0.00 175.30 176.39 2cr6 s VAL 100 N -1.12 -0.44 0.30 3.52 1.01 -1.26 -2.98 120.40 119.42 2cr6 s VAL 100 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2cr6 s VAL 100 Cb -0.14 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.59 2cr6 s VAL 100 CO 0.11 -0.15 0.41 0.35 0.00 0.00 0.00 175.10 175.82 2cr6 n THR 101 N 5.34 0.00 -1.24 3.92 -2.24 -1.00 -4.70 114.28 114.35 2cr6 n THR 101 Ca -0.05 -0.64 -0.31 0.00 -2.27 0.00 0.00 64.05 60.78 2cr6 n THR 101 Cb 0.50 -1.17 0.10 0.00 -2.10 0.00 0.00 70.33 67.66 2cr6 n THR 101 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr6 s GLU 102 N -3.48 1.99 0.18 -0.78 2.02 -1.26 -0.11 118.70 117.26 2cr6 s GLU 102 Ca 0.27 1.07 0.06 0.00 0.02 0.00 0.00 54.97 56.40 2cr6 s GLU 102 Cb -0.02 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.30 2cr6 s GLU 102 CO 0.18 -1.81 -0.12 -1.59 0.02 0.00 0.00 175.26 171.94 2cr6 s LYS 103 N -4.91 1.20 0.14 1.61 0.00 -1.26 -4.19 119.74 112.32 2cr6 s LYS 103 Ca 0.62 -1.53 -0.12 0.00 0.00 0.00 0.00 55.97 54.95 2cr6 s LYS 103 Cb -0.17 -0.88 -0.05 0.00 0.00 0.00 0.00 37.83 36.72 2cr6 s LYS 103 CO 0.56 0.13 1.47 -1.00 0.00 0.00 0.00 175.35 176.51 2cr6 h PRO 104 N 2.66 0.91 0.00 1.78 0.13 -1.98 -3.45 132.00 132.05 2cr6 h PRO 104 Ca -0.37 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2cr6 h PRO 104 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cr6 h PRO 104 CO 0.63 1.13 0.00 0.45 -0.23 0.00 0.00 178.00 179.98 2cr6 n SER 105 N -4.09 -0.60 -3.70 1.44 2.88 -1.26 -5.11 113.62 103.19 2cr6 n SER 105 Ca -0.02 -0.60 -0.09 0.00 -1.33 0.00 0.00 58.87 56.83 2cr6 n SER 105 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2cr6 n SER 105 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2cr6 s VAL 106 N -0.89 0.00 -0.39 2.46 -7.23 -1.26 -5.04 120.40 108.04 2cr6 s VAL 106 Ca 0.00 -1.23 -0.20 0.00 -1.81 0.00 0.00 61.98 58.74 2cr6 s VAL 106 Cb 0.00 -2.29 0.03 0.00 0.56 0.00 0.00 36.38 34.67 2cr6 s VAL 106 CO 0.00 0.00 0.50 0.33 -0.31 0.00 0.00 175.10 175.62 2cr6 n PHE 107 N -0.45 -3.09 0.00 2.82 7.35 -1.26 -5.01 117.46 117.82 2cr6 n PHE 107 Ca -0.03 1.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.94 2cr6 n PHE 107 Cb 0.61 -3.19 0.00 0.00 0.35 0.00 0.00 39.48 37.25 2cr6 n PHE 107 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2cr6 n SER 108 N -0.03 0.00 -3.98 -2.13 7.64 -1.26 -5.01 113.62 108.85 2cr6 n SER 108 Ca 0.04 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.60 2cr6 n SER 108 Cb 0.47 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.55 2cr6 n SER 108 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2cr6 s ARG 109 N -0.50 2.23 -0.26 1.43 3.52 -1.26 -4.89 118.95 119.22 2cr6 s ARG 109 Ca 0.00 -2.75 -0.14 0.00 -0.13 0.00 0.00 55.73 52.71 2cr6 s ARG 109 Cb 0.00 -3.44 -0.11 0.00 -1.56 0.00 0.00 34.95 29.83 2cr6 s ARG 109 CO 0.00 -1.16 -0.35 -1.13 -0.81 0.00 0.00 175.30 171.86 2cr6 n SER 110 N 2.96 1.90 -2.77 -2.12 3.41 -1.26 -4.88 113.62 110.86 2cr6 n SER 110 Ca 0.09 0.33 -0.08 0.00 -0.26 0.00 0.00 58.87 58.95 2cr6 n SER 110 Cb 0.34 -0.79 0.04 0.00 -0.26 0.00 0.00 64.21 63.54 2cr6 n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr6 n GLY 111 N 1.33 0.00 0.16 5.00 0.00 -1.26 -5.01 105.19 105.41 2cr6 n GLY 111 Ca -0.50 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 4.21 0.47 -4.61 1.61 0.13 -1.94 -3.40 132.00 128.47 2cr6 h PRO 112 Ca -0.10 -0.25 -0.66 0.00 -0.87 0.00 0.00 66.00 64.12 2cr6 h PRO 112 Cb 1.04 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.78 2cr6 h PRO 112 CO 0.27 0.82 -0.72 -1.54 -0.23 0.00 0.00 178.00 176.61 2cr6 s SER 113 N -6.27 4.73 -0.33 1.44 1.04 -1.26 -5.07 113.70 107.97 2cr6 s SER 113 Ca -0.14 -2.17 -0.28 0.00 0.48 0.00 0.00 55.95 53.84 2cr6 s SER 113 Cb 0.06 -1.60 -0.02 0.00 0.10 0.00 0.00 66.02 64.56 2cr6 s SER 113 CO 0.78 -0.38 1.83 -0.94 0.98 0.00 0.00 173.24 175.52 2cr6 s SER 114 N 0.89 5.83 0.00 7.02 1.04 -1.26 -5.23 113.70 121.99 2cr6 s SER 114 Ca 0.11 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2cr6 s SER 114 Cb -0.19 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2cr6 s SER 114 CO -0.08 -1.76 0.00 0.61 0.98 0.00 0.00 173.24 172.98