#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 -0.00 0.11 1.61 0.01 -1.26 -5.19 113.70 108.98 2cr6 s SER 2 Ca 0.00 -0.98 -0.04 0.00 1.31 0.00 0.00 55.95 56.24 2cr6 s SER 2 Cb 0.00 0.77 -0.03 0.00 0.21 0.00 0.00 66.02 66.97 2cr6 s SER 2 CO 0.00 -1.48 0.12 -0.44 0.41 0.00 0.00 173.24 171.85 2cr6 s SER 3 N -3.03 0.25 0.00 2.44 0.01 -1.26 -5.18 113.70 106.93 2cr6 s SER 3 Ca 0.16 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2cr6 s SER 3 Cb -0.04 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2cr6 s SER 3 CO 0.11 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2cr6 n GLY 4 N -0.07 4.70 3.62 3.44 0.00 -1.26 -5.18 105.19 110.44 2cr6 n GLY 4 Ca -0.09 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 2cr6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr6 s SER 5 N 1.23 -0.83 0.46 1.61 0.15 -1.26 -5.15 113.70 109.91 2cr6 s SER 5 Ca 0.00 1.46 0.08 0.00 0.70 0.00 0.00 55.95 58.19 2cr6 s SER 5 Cb 0.00 1.41 0.03 0.00 -1.71 0.00 0.00 66.02 65.74 2cr6 s SER 5 CO 0.00 -0.24 0.61 -0.94 1.20 0.00 0.00 173.24 173.87 2cr6 s SER 6 N 1.00 5.46 0.77 5.45 1.04 -1.26 -4.46 113.70 121.69 2cr6 s SER 6 Ca -0.05 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2cr6 s SER 6 Cb -0.05 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2cr6 s SER 6 CO -0.09 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2cr6 n GLY 7 N -1.93 0.28 2.47 7.32 0.00 -1.26 -3.81 105.19 108.26 2cr6 n GLY 7 Ca 0.09 0.67 -0.35 0.00 0.00 0.00 0.00 46.02 46.43 2cr6 n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr6 n LEU 8 N 0.00 7.38 -4.78 0.99 7.94 -1.26 -4.93 117.00 122.33 2cr6 n LEU 8 Ca 0.00 -3.90 -0.36 0.00 -1.11 0.00 0.00 56.01 50.64 2cr6 n LEU 8 Cb 0.00 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.49 2cr6 n LEU 8 CO 0.00 1.49 0.75 0.54 -1.11 0.00 0.00 177.39 179.06 2cr6 s VAL 9 N 2.73 3.59 0.32 1.96 0.11 -1.25 -5.04 120.40 122.82 2cr6 s VAL 9 Ca 0.59 1.15 0.05 0.00 -2.93 0.00 0.00 61.98 60.84 2cr6 s VAL 9 Cb 0.15 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.42 2cr6 s VAL 9 CO -0.05 -0.06 0.29 -1.10 -3.33 0.00 0.00 175.10 170.86 2cr6 s GLN 10 N -2.73 1.73 0.00 1.54 -0.21 -1.26 -4.93 119.66 113.81 2cr6 s GLN 10 Ca 0.62 -1.95 0.00 0.00 0.02 0.00 0.00 55.36 54.04 2cr6 s GLN 10 Cb -0.22 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.13 2cr6 s GLN 10 CO 0.27 -0.65 0.00 0.41 -2.12 0.00 0.00 175.29 173.20 2cr6 n GLY 11 N -0.59 1.62 3.63 3.09 0.00 -1.26 -4.95 105.19 106.73 2cr6 n GLY 11 Ca 0.06 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 1.67 -4.18 1.61 1.74 -1.26 -4.99 116.66 111.25 2cr6 n ARG 12 Ca 0.00 0.59 -0.26 0.00 -0.77 0.00 0.00 57.85 57.41 2cr6 n ARG 12 Cb 0.00 -2.12 -0.17 0.00 -1.02 0.00 0.00 32.46 29.15 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 -0.96 1.71 0.03 5.56 6.06 -1.26 -4.95 118.95 125.14 2cr6 s ARG 13 Ca 0.64 -0.36 -0.19 0.00 -2.50 0.00 0.00 55.73 53.33 2cr6 s ARG 13 Cb -0.69 -1.60 -0.06 0.00 0.06 0.00 0.00 34.95 32.66 2cr6 s ARG 13 CO 0.55 -0.15 0.55 0.08 -2.50 0.00 0.00 175.30 173.83 2cr6 s VAL 14 N 1.28 4.85 -0.15 7.11 1.01 -1.26 -4.50 120.40 128.74 2cr6 s VAL 14 Ca -0.02 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 2cr6 s VAL 14 Cb -0.14 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2cr6 s VAL 14 CO -0.04 0.50 -0.06 -1.00 0.00 0.00 0.00 175.10 174.50 2cr6 s HIS 15 N -0.74 1.62 -0.65 5.22 3.76 -1.04 -4.67 115.29 118.80 2cr6 s HIS 15 Ca 0.29 -0.95 -0.26 0.00 -0.15 0.00 0.00 55.06 53.98 2cr6 s HIS 15 Cb -0.19 -1.28 -0.07 0.00 1.11 0.00 0.00 32.58 32.16 2cr6 s HIS 15 CO 0.17 -0.58 2.18 0.42 -0.85 0.00 0.00 174.74 176.08 2cr6 s ILE 16 N 1.66 3.17 -0.01 0.60 -1.09 -1.26 -1.85 121.20 122.42 2cr6 s ILE 16 Ca 0.02 0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.34 2cr6 s ILE 16 Cb -0.14 -3.44 -0.06 0.00 -1.58 0.00 0.00 42.46 37.24 2cr6 s ILE 16 CO -0.08 -0.42 0.64 0.40 -1.23 0.00 0.00 174.94 174.25 2cr6 h ILE 17 N 7.39 0.00 -2.99 2.92 2.04 -1.08 -3.41 117.51 122.38 2cr6 h ILE 17 Ca -0.15 -0.31 -0.62 0.00 1.00 0.00 0.00 64.86 64.78 2cr6 h ILE 17 Cb 1.15 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.82 2cr6 h ILE 17 CO 1.16 0.00 -0.67 -1.61 0.00 0.00 0.00 178.15 177.02 2cr6 s GLU 18 N -2.98 1.97 0.80 2.37 2.02 0.84 -4.96 118.70 118.76 2cr6 s GLU 18 Ca -0.06 -2.85 -0.14 0.00 0.02 0.00 0.00 54.97 51.94 2cr6 s GLU 18 Cb 0.01 -2.91 0.02 0.00 0.10 0.00 0.00 34.13 31.34 2cr6 s GLU 18 CO 0.17 -1.26 0.73 -3.47 0.02 0.00 0.00 175.26 171.45 2cr6 n ASP 19 N 2.50 -0.64 -4.07 -0.19 -0.08 -1.26 -1.26 116.55 111.54 2cr6 n ASP 19 Ca 0.18 0.53 -0.29 0.00 -1.51 0.00 0.00 54.79 53.70 2cr6 n ASP 19 Cb 0.37 -1.31 0.20 0.00 2.34 0.00 0.00 41.12 42.71 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 -1.51 -1.91 0.00 -2.67 4.77 -1.26 -4.84 117.00 109.58 2cr6 n LEU 20 Ca 0.10 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2cr6 n LEU 20 Cb 0.51 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2cr6 n LEU 20 CO 0.50 -3.31 0.00 -0.62 -1.33 0.00 0.00 177.39 172.63 2cr6 n GLU 21 N -2.86 0.00 0.00 3.23 1.02 -1.26 -4.87 120.64 115.90 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 0.00 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 -1.66 0.00 -3.75 1.62 5.68 -1.26 -4.02 116.55 113.16 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 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 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 0.02 -0.27 2.12 1.01 -0.80 -4.97 120.40 115.52 2cr6 s VAL 23 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2cr6 s VAL 23 Cb 0.00 -0.56 0.13 0.00 0.00 0.00 0.00 36.38 35.95 2cr6 s VAL 23 CO 0.00 -0.10 0.32 1.51 0.00 0.00 0.00 175.10 176.83 2cr6 s ASP 24 N -0.42 1.08 0.08 3.32 -4.77 -1.25 -1.17 116.67 113.54 2cr6 s ASP 24 Ca -0.05 -0.38 -0.11 0.00 -3.30 0.00 0.00 52.55 48.70 2cr6 s ASP 24 Cb -0.04 0.73 0.01 0.00 -1.09 0.00 0.00 42.92 42.53 2cr6 s ASP 24 CO 0.02 -0.35 0.26 0.68 0.70 0.00 0.00 175.17 176.48 2cr6 s VAL 25 N 2.43 0.11 0.59 2.11 -7.23 -1.09 -5.03 120.40 112.30 2cr6 s VAL 25 Ca 0.10 -0.92 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 2cr6 s VAL 25 Cb -0.14 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2cr6 s VAL 25 CO -0.25 -0.51 1.27 0.00 -0.31 0.00 0.00 175.10 175.31 2cr6 s GLN 26 N -3.49 2.90 0.49 4.82 0.00 -1.26 -2.87 119.66 120.25 2cr6 s GLN 26 Ca 0.02 2.01 -0.24 0.00 -0.00 0.00 0.00 55.36 57.15 2cr6 s GLN 26 Cb 0.03 -2.00 -0.07 0.00 0.00 0.00 0.00 33.01 30.97 2cr6 s GLN 26 CO -0.09 -1.31 1.38 -1.83 0.00 0.00 0.00 175.29 173.43 2cr6 s GLU 27 N -3.21 3.45 0.00 9.60 4.04 0.11 -2.64 118.70 130.05 2cr6 s GLU 27 Ca 0.77 2.30 0.00 0.00 0.04 0.00 0.00 54.97 58.08 2cr6 s GLU 27 Cb -0.35 -2.47 0.00 0.00 0.02 0.00 0.00 34.13 31.33 2cr6 s GLU 27 CO 0.39 -0.96 0.00 0.41 -1.84 0.00 0.00 175.26 173.26 2cr6 n GLY 28 N 0.64 3.03 1.63 -3.83 0.00 0.84 -4.62 105.19 102.88 2cr6 n GLY 28 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 0.12 -4.27 1.61 7.64 -1.08 -1.80 113.62 115.84 2cr6 n SER 29 Ca 0.00 -1.24 -0.40 0.00 1.01 0.00 0.00 58.87 58.24 2cr6 n SER 29 Cb 0.00 -0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 62.69 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 -3.00 5.59 -0.43 6.43 1.04 -1.26 -3.19 113.70 118.87 2cr6 s SER 30 Ca 0.31 -1.47 -0.22 0.00 0.48 0.00 0.00 55.95 55.05 2cr6 s SER 30 Cb -0.01 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.16 2cr6 s SER 30 CO 0.22 -0.51 0.72 0.00 0.98 0.00 0.00 173.24 174.64 2cr6 s ALA 31 N 1.41 3.33 0.09 5.32 0.00 -1.16 -4.84 121.76 125.92 2cr6 s ALA 31 Ca 0.03 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 50.66 2cr6 s ALA 31 Cb -0.22 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 2cr6 s ALA 31 CO 0.02 -1.80 0.88 0.99 0.00 0.00 0.00 175.76 175.85 2cr6 s THR 32 N 3.05 4.58 -0.37 0.00 2.01 -1.25 -2.94 115.64 120.72 2cr6 s THR 32 Ca 0.27 1.89 0.01 0.00 0.31 0.00 0.00 61.69 64.16 2cr6 s THR 32 Cb -0.13 -4.24 0.12 0.00 0.01 0.00 0.00 72.50 68.26 2cr6 s THR 32 CO 0.20 0.35 0.17 -0.36 -0.69 0.00 0.00 174.62 174.29 2cr6 s PHE 33 N -0.09 1.80 0.35 4.92 0.08 -0.67 -4.90 117.98 119.47 2cr6 s PHE 33 Ca 0.43 -2.06 -0.14 0.00 0.12 0.00 0.00 56.93 55.29 2cr6 s PHE 33 Cb -0.22 -1.76 -0.08 0.00 -0.57 0.00 0.00 43.02 40.38 2cr6 s PHE 33 CO 0.27 -0.84 0.75 1.03 -0.10 0.00 0.00 175.22 176.34 2cr6 s ARG 34 N 1.01 3.93 -0.29 0.44 0.52 -1.26 -2.53 118.95 120.77 2cr6 s ARG 34 Ca 0.14 0.61 -0.16 0.00 -0.52 0.00 0.00 55.73 55.81 2cr6 s ARG 34 Cb -0.21 -2.41 0.13 0.00 0.52 0.00 0.00 34.95 32.98 2cr6 s ARG 34 CO -0.12 0.08 0.90 0.00 0.02 0.00 0.00 175.30 176.19 2cr6 s ARG 36 N 1.53 2.95 -0.07 0.00 3.52 -0.39 -1.56 118.95 124.93 2cr6 s ARG 36 Ca -0.09 -1.14 0.03 0.00 -0.13 0.00 0.00 55.73 54.41 2cr6 s ARG 36 Cb -0.04 -4.00 0.01 0.00 -1.56 0.00 0.00 34.95 29.35 2cr6 s ARG 36 CO -0.16 -0.84 -0.16 0.96 -0.81 0.00 0.00 175.30 174.29 2cr6 s ILE 37 N 1.65 1.42 0.32 4.11 -5.25 -0.99 -0.11 121.20 122.35 2cr6 s ILE 37 Ca 0.04 -0.66 -0.07 0.00 -0.99 0.00 0.00 60.65 58.97 2cr6 s ILE 37 Cb -0.21 -1.26 -0.06 0.00 2.95 0.00 0.00 42.46 43.88 2cr6 s ILE 37 CO 0.08 0.42 0.62 -0.55 -1.79 0.00 0.00 174.94 173.72 2cr6 s SER 38 N 0.45 6.49 0.62 4.36 0.15 -0.77 -4.04 113.70 120.96 2cr6 s SER 38 Ca -0.13 0.86 -0.16 0.00 0.70 0.00 0.00 55.95 57.21 2cr6 s SER 38 Cb -0.15 -2.21 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 2cr6 s SER 38 CO 0.05 -0.24 1.12 -2.16 1.20 0.00 0.00 173.24 173.20 2cr6 s PRO 39 N -3.55 2.98 0.62 5.44 0.04 -1.26 -2.50 135.00 136.78 2cr6 s PRO 39 Ca 0.46 1.46 0.30 0.00 0.04 0.00 0.00 61.00 63.27 2cr6 s PRO 39 Cb -0.11 -1.97 1.67 0.00 0.04 0.00 0.00 34.50 34.14 2cr6 s PRO 39 CO 0.29 -1.12 2.02 0.00 0.04 0.00 0.00 177.00 178.24 2cr6 h ALA 40 N 0.41 1.69 -0.91 8.56 0.00 -1.86 0.08 119.26 127.23 2cr6 h ALA 40 Ca -0.48 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 53.80 2cr6 h ALA 40 Cb 1.25 0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.71 2cr6 h ALA 40 CO 0.55 -0.38 0.22 -1.71 0.00 0.00 0.00 179.25 177.92 2cr6 n ASN 41 N -3.46 6.62 -4.78 0.00 2.85 -1.26 -3.17 115.26 112.06 2cr6 n ASN 41 Ca 0.02 -3.77 -0.39 0.00 -0.11 0.00 0.00 54.58 50.33 2cr6 n ASN 41 Cb 0.40 -0.73 -0.06 0.00 1.24 0.00 0.00 39.78 40.63 2cr6 n ASN 41 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2cr6 s TYR 42 N -3.74 3.71 0.00 1.20 6.14 0.01 -5.04 117.35 119.63 2cr6 s TYR 42 Ca 0.59 1.19 0.00 0.00 0.64 0.00 0.00 57.07 59.49 2cr6 s TYR 42 Cb 0.47 -2.55 0.00 0.00 0.42 0.00 0.00 41.96 40.30 2cr6 s TYR 42 CO 0.00 0.43 0.00 -0.85 0.64 0.00 0.00 175.55 175.77 2cr6 n GLU 43 N 2.44 0.00 -1.09 4.97 0.28 -1.26 -4.73 120.64 121.25 2cr6 n GLU 43 Ca -0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.62 2cr6 n GLU 43 Cb 0.51 0.00 0.24 0.00 1.43 0.00 0.00 31.44 33.62 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 -1.13 0.07 3.44 0.04 -1.26 -5.17 135.00 128.98 2cr6 s PRO 44 Ca 0.00 -0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.09 2cr6 s PRO 44 Cb 0.00 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 2cr6 s PRO 44 CO 0.00 -3.66 -0.23 0.14 0.04 0.00 0.00 177.00 173.29 2cr6 s VAL 45 N -3.00 1.89 0.08 -0.36 -7.23 -1.26 -5.00 120.40 105.51 2cr6 s VAL 45 Ca 0.71 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 2cr6 s VAL 45 Cb -0.10 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2cr6 s VAL 45 CO 0.56 0.19 0.03 -1.00 -0.31 0.00 0.00 175.10 174.57 2cr6 s HIS 46 N -0.90 3.07 -0.04 2.82 3.76 -1.14 -5.04 115.29 117.82 2cr6 s HIS 46 Ca 0.09 0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.01 2cr6 s HIS 46 Cb -0.10 -1.58 0.03 0.00 1.11 0.00 0.00 32.58 32.05 2cr6 s HIS 46 CO 0.03 0.49 0.06 -1.58 -0.85 0.00 0.00 174.74 172.89 2cr6 s TRP 47 N -1.32 0.01 0.24 1.40 0.52 -1.26 -2.23 118.94 116.31 2cr6 s TRP 47 Ca 0.26 0.24 0.07 0.00 0.02 0.00 0.00 56.10 56.69 2cr6 s TRP 47 Cb -0.12 -0.30 -0.05 0.00 -1.15 0.00 0.00 33.47 31.85 2cr6 s TRP 47 CO 0.19 -0.14 -0.09 -0.06 0.02 0.00 0.00 176.95 176.86 2cr6 s PHE 48 N 1.52 1.82 -0.26 -1.98 0.40 -1.11 -0.07 117.98 118.30 2cr6 s PHE 48 Ca -0.04 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.59 2cr6 s PHE 48 Cb -0.12 -0.96 0.09 0.00 0.51 0.00 0.00 43.02 42.54 2cr6 s PHE 48 CO -0.03 0.29 0.11 -1.17 0.70 0.00 0.00 175.22 175.12 2cr6 s LEU 49 N -3.38 0.66 0.00 -0.37 1.98 -0.13 -0.15 118.68 117.29 2cr6 s LEU 49 Ca 0.26 -1.12 0.00 0.00 -2.89 0.00 0.00 54.13 50.39 2cr6 s LEU 49 Cb 0.02 -0.38 0.00 0.00 0.66 0.00 0.00 46.19 46.49 2cr6 s LEU 49 CO 0.09 -0.41 0.00 0.47 -1.89 0.00 0.00 176.35 174.62 2cr6 n ASP 50 N 5.21 0.00 -2.75 3.68 9.92 -0.80 -2.15 116.55 129.67 2cr6 n ASP 50 Ca -0.06 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.19 2cr6 n ASP 50 Cb 0.44 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.01 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 1.53 -3.70 -1.24 5.02 -1.26 -5.02 118.16 113.49 2cr6 n LYS 51 Ca 0.00 -2.34 -0.11 0.00 -2.02 0.00 0.00 58.31 53.85 2cr6 n LYS 51 Cb 0.00 -0.56 -0.11 0.00 -0.02 0.00 0.00 35.03 34.33 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 -1.77 -0.03 0.54 -0.18 2.01 -0.91 -5.16 115.64 110.14 2cr6 s THR 52 Ca 0.18 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 2cr6 s THR 52 Cb 0.39 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 72.27 2cr6 s THR 52 CO -0.08 0.04 1.13 -2.16 -0.69 0.00 0.00 174.62 172.86 2cr6 s PRO 53 N 1.31 3.38 -0.04 4.92 0.04 -1.26 -0.95 135.00 142.40 2cr6 s PRO 53 Ca -0.09 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.61 2cr6 s PRO 53 Cb -0.08 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 2cr6 s PRO 53 CO -0.11 -0.83 -0.15 -0.51 0.04 0.00 0.00 177.00 175.43 2cr6 s LEU 54 N -3.76 1.87 0.01 -3.56 1.43 0.90 -4.88 118.68 110.70 2cr6 s LEU 54 Ca 0.72 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2cr6 s LEU 54 Cb -0.24 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2cr6 s LEU 54 CO 0.27 0.12 -0.04 -1.00 0.23 0.00 0.00 176.35 175.93 2cr6 s HIS 55 N 0.14 0.36 0.21 0.29 3.76 -1.26 -4.15 115.29 114.64 2cr6 s HIS 55 Ca -0.05 -0.26 -0.32 0.00 -0.15 0.00 0.00 55.06 54.28 2cr6 s HIS 55 Cb -0.12 -0.23 -0.15 0.00 1.11 0.00 0.00 32.58 33.20 2cr6 s HIS 55 CO 0.02 -0.06 1.29 0.00 -0.85 0.00 0.00 174.74 175.14 2cr6 n ALA 56 N 2.35 0.18 -3.00 -1.40 0.00 -1.26 -4.62 120.51 112.75 2cr6 n ALA 56 Ca -0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2cr6 n ALA 56 Cb 0.57 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.09 0.00 0.05 0.00 5.15 0.79 -4.89 115.26 118.45 2cr6 n ASN 57 Ca 0.13 -0.97 0.21 0.00 -0.60 0.00 0.00 54.58 53.35 2cr6 n ASN 57 Cb 0.28 0.00 0.74 0.00 -0.53 0.00 0.00 39.78 40.27 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 -2.94 114.58 115.63 2cr6 h GLU 58 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 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 -1.82 1.28 -0.73 0.00 0.00 179.01 177.74 2cr6 n LEU 59 N -4.01 2.58 -4.71 1.64 4.77 -1.26 -4.98 117.00 111.02 2cr6 n LEU 59 Ca 0.08 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 2cr6 n LEU 59 Cb 0.60 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2cr6 n LEU 59 CO 0.32 0.65 0.81 0.20 -1.33 0.00 0.00 177.39 178.03 2cr6 s ASN 60 N -5.59 7.19 -0.07 -1.43 -0.87 -1.11 -1.74 114.94 111.33 2cr6 s ASN 60 Ca -0.20 1.89 0.03 0.00 -1.57 0.00 0.00 52.86 53.01 2cr6 s ASN 60 Cb 0.06 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.72 2cr6 s ASN 60 CO 0.31 -0.39 -0.14 -0.70 -2.57 0.00 0.00 177.10 173.62 2cr6 s GLU 61 N 1.00 1.90 -0.31 -0.60 -6.30 -0.87 -0.15 118.70 113.37 2cr6 s GLU 61 Ca 0.56 -0.49 -0.01 0.00 -2.50 0.00 0.00 54.97 52.53 2cr6 s GLU 61 Cb -0.26 -1.54 0.10 0.00 0.00 0.00 0.00 34.13 32.42 2cr6 s GLU 61 CO 0.29 0.06 0.10 0.42 0.02 0.00 0.00 175.26 176.15 2cr6 s ILE 62 N 0.57 0.82 0.59 -3.70 1.01 -1.26 -0.07 121.20 119.16 2cr6 s ILE 62 Ca -0.15 -1.36 -0.06 0.00 0.00 0.00 0.00 60.65 59.09 2cr6 s ILE 62 Cb -0.16 -1.62 0.13 0.00 0.01 0.00 0.00 42.46 40.82 2cr6 s ILE 62 CO 0.04 -0.67 0.81 -0.67 0.00 0.00 0.00 174.94 174.45 2cr6 n ASP 63 N 4.87 0.49 -3.03 3.58 2.03 0.36 -4.95 116.55 119.90 2cr6 n ASP 63 Ca -0.02 -1.56 -0.17 0.00 0.52 0.00 0.00 54.79 53.56 2cr6 n ASP 63 Cb 0.42 -0.58 -0.01 0.00 -0.72 0.00 0.00 41.12 40.23 2cr6 n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cr6 n ALA 64 N -3.27 1.07 -0.79 -1.67 0.00 -1.26 -3.51 120.51 111.07 2cr6 n ALA 64 Ca -0.13 -2.71 -0.33 0.00 0.00 0.00 0.00 53.44 50.27 2cr6 n ALA 64 Cb 0.40 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 18.98 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 0.99 -0.38 -2.23 0.00 6.02 0.72 -4.84 117.38 117.66 2cr6 n GLN 65 Ca 0.17 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 2cr6 n GLN 65 Cb 0.61 -1.84 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 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 -3.62 4.42 0.00 -1.09 0.04 -1.26 -2.79 135.00 130.70 2cr6 s PRO 66 Ca 0.57 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2cr6 s PRO 66 Cb -0.21 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2cr6 s PRO 66 CO 0.67 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.97 2cr6 n GLY 67 N 1.72 0.94 2.10 0.56 0.00 -1.26 -4.23 105.19 105.01 2cr6 n GLY 67 Ca 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.10 0.48 3.45 -0.02 0.00 -1.19 -4.70 105.19 101.11 2cr6 n GLY 68 Ca 0.00 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.16 2.79 -0.51 1.61 1.51 -1.12 -2.34 117.35 117.13 2cr6 s TYR 69 Ca 0.00 -0.78 -0.23 0.00 -1.01 0.00 0.00 57.07 55.06 2cr6 s TYR 69 Cb 0.00 -4.29 0.04 0.00 -0.11 0.00 0.00 41.96 37.60 2cr6 s TYR 69 CO 0.00 -1.60 0.82 -1.01 -1.11 0.00 0.00 175.55 172.65 2cr6 s HIS 70 N 3.70 2.91 -0.08 2.71 3.76 -0.60 -0.20 115.29 127.48 2cr6 s HIS 70 Ca 0.25 -0.08 -0.14 0.00 -0.15 0.00 0.00 55.06 54.94 2cr6 s HIS 70 Cb -0.14 -3.82 -0.05 0.00 1.11 0.00 0.00 32.58 29.69 2cr6 s HIS 70 CO 0.05 -1.16 0.35 0.08 -0.85 0.00 0.00 174.74 173.20 2cr6 s VAL 71 N 3.44 5.20 -0.24 -0.90 1.01 -1.23 -3.19 120.40 124.49 2cr6 s VAL 71 Ca 0.27 0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.95 2cr6 s VAL 71 Cb -0.14 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.63 2cr6 s VAL 71 CO 0.19 0.48 -0.09 -0.22 0.00 0.00 0.00 175.10 175.46 2cr6 s LEU 72 N -0.30 3.03 -0.75 3.92 2.96 -1.05 -0.49 118.68 126.01 2cr6 s LEU 72 Ca 0.21 -1.27 -0.10 0.00 -0.22 0.00 0.00 54.13 52.75 2cr6 s LEU 72 Cb -0.15 -1.40 0.20 0.00 0.50 0.00 0.00 46.19 45.34 2cr6 s LEU 72 CO 0.09 -0.20 0.64 -0.89 -1.32 0.00 0.00 176.35 174.67 2cr6 s THR 73 N 1.22 4.92 -0.85 3.68 2.01 0.90 -1.67 115.64 125.85 2cr6 s THR 73 Ca -0.07 -2.62 -0.25 0.00 0.31 0.00 0.00 61.69 59.06 2cr6 s THR 73 Cb -0.19 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.26 2cr6 s THR 73 CO -0.06 -0.97 1.41 -0.76 -0.69 0.00 0.00 174.62 173.55 2cr6 s LEU 74 N 0.12 3.30 0.48 4.42 1.43 -1.15 -2.05 118.68 125.23 2cr6 s LEU 74 Ca 0.17 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 2cr6 s LEU 74 Cb -0.14 -2.56 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 2cr6 s LEU 74 CO -0.07 -1.78 0.93 -0.13 0.23 0.00 0.00 176.35 175.53 2cr6 s ARG 75 N 5.58 3.92 -1.08 1.70 0.52 -0.71 -2.99 118.95 125.88 2cr6 s ARG 75 Ca 0.43 0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 56.32 2cr6 s ARG 75 Cb -0.05 -2.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 2cr6 s ARG 75 CO 0.05 -0.20 0.82 1.04 0.02 0.00 0.00 175.30 177.02 2cr6 n GLN 76 N -1.46 -1.46 -2.00 3.54 6.02 -0.74 -4.63 117.38 116.64 2cr6 n GLN 76 Ca 0.06 0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 57.37 2cr6 n GLN 76 Cb 0.54 -4.54 0.19 0.00 1.02 0.00 0.00 30.24 27.44 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 -6.04 2.76 0.05 1.08 1.43 -1.23 -4.65 118.68 112.08 2cr6 s LEU 77 Ca 0.43 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2cr6 s LEU 77 Cb -0.13 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2cr6 s LEU 77 CO 0.83 -2.73 0.04 0.00 0.23 0.00 0.00 176.35 174.72 2cr6 s ALA 78 N -3.85 0.20 0.67 4.21 0.00 -1.26 -0.11 121.76 121.62 2cr6 s ALA 78 Ca 0.74 -0.90 0.39 0.00 0.00 0.00 0.00 51.96 52.19 2cr6 s ALA 78 Cb -0.03 0.30 2.11 0.00 0.00 0.00 0.00 23.12 25.50 2cr6 s ALA 78 CO 0.53 -0.37 2.19 -0.07 0.00 0.00 0.00 175.76 178.03 2cr6 h LEU 79 N 3.28 0.00 -0.10 0.00 3.38 -1.89 0.25 115.31 120.22 2cr6 h LEU 79 Ca -0.34 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 2cr6 h LEU 79 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2cr6 h LEU 79 CO 0.59 0.00 -0.45 0.07 0.09 0.00 0.00 178.44 178.74 2cr6 h LYS 80 N 0.00 0.00 0.00 1.13 2.10 -1.95 -3.14 116.57 114.71 2cr6 h LYS 80 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2cr6 h LYS 80 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2cr6 h LYS 80 CO 0.00 0.45 0.00 0.38 -2.00 0.00 0.00 179.45 178.28 2cr6 h ASP 81 N 0.00 0.00 -1.50 7.07 3.04 -0.88 -3.43 116.42 120.72 2cr6 h ASP 81 Ca -0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 2cr6 h ASP 81 Cb 1.31 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.59 2cr6 h ASP 81 CO 0.06 0.00 1.55 -1.54 -2.04 0.00 0.00 179.24 177.26 2cr6 n SER 82 N -3.03 2.46 0.00 4.15 3.41 -1.19 -4.59 113.62 114.82 2cr6 n SER 82 Ca -0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2cr6 n SER 82 Cb 0.24 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 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 6.10 0.78 3.59 5.00 0.00 0.92 -4.93 105.19 116.65 2cr6 n GLY 83 Ca 0.38 0.41 -0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 2.02 -1.00 -0.03 2.61 2.01 -1.26 -1.69 115.64 118.30 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 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 2cr6 s THR 84 CO 0.00 0.00 1.68 -0.63 -0.69 0.00 0.00 174.62 174.98 2cr6 s ILE 85 N 2.89 3.46 -0.86 1.82 -1.09 -0.71 -1.91 121.20 124.81 2cr6 s ILE 85 Ca -0.03 0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 58.98 2cr6 s ILE 85 Cb -0.12 -3.40 0.22 0.00 -1.58 0.00 0.00 42.46 37.57 2cr6 s ILE 85 CO -0.19 -0.05 0.75 -0.31 -1.23 0.00 0.00 174.94 173.91 2cr6 s TYR 86 N 3.84 3.84 0.60 3.97 2.02 0.79 -2.46 117.35 129.95 2cr6 s TYR 86 Ca 0.75 -2.86 -0.19 0.00 -0.37 0.00 0.00 57.07 54.40 2cr6 s TYR 86 Cb -0.35 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 37.84 2cr6 s TYR 86 CO 0.31 -0.80 1.24 0.12 -1.57 0.00 0.00 175.55 174.85 2cr6 s PHE 87 N -0.99 2.31 -0.03 2.71 5.36 -1.21 -2.75 117.98 123.38 2cr6 s PHE 87 Ca 0.25 1.50 0.02 0.00 -0.96 0.00 0.00 56.93 57.74 2cr6 s PHE 87 Cb -0.10 -3.55 0.01 0.00 -0.34 0.00 0.00 43.02 39.04 2cr6 s PHE 87 CO -0.10 -2.42 -0.06 -1.21 -1.46 0.00 0.00 175.22 169.97 2cr6 s GLU 88 N -3.32 0.77 -0.32 10.12 2.02 -0.95 -2.41 118.70 124.62 2cr6 s GLU 88 Ca 0.78 -0.20 0.02 0.00 0.02 0.00 0.00 54.97 55.59 2cr6 s GLU 88 Cb -0.33 -0.75 0.19 0.00 0.10 0.00 0.00 34.13 33.34 2cr6 s GLU 88 CO 0.35 0.04 0.73 0.00 0.02 0.00 0.00 175.26 176.41 2cr6 s ALA 89 N 0.38 -2.91 0.00 5.21 0.00 -1.19 -2.87 121.76 120.38 2cr6 s ALA 89 Ca -0.05 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2cr6 s ALA 89 Cb -0.09 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2cr6 s ALA 89 CO 0.00 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.14 2cr6 n GLY 90 N 4.98 1.94 0.69 0.00 0.00 -1.26 -2.74 105.19 108.80 2cr6 n GLY 90 Ca 0.07 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 9.99 3.25 -4.59 1.61 9.92 -1.26 -5.01 116.55 130.46 2cr6 n ASP 91 Ca 0.00 -3.15 -0.26 0.00 -0.53 0.00 0.00 54.79 50.85 2cr6 n ASP 91 Cb 0.00 -0.52 -0.10 0.00 -0.64 0.00 0.00 41.12 39.86 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 -2.90 1.92 -0.29 -1.24 -1.52 -1.11 -5.03 119.66 109.49 2cr6 s GLN 92 Ca 0.40 -1.92 -0.06 0.00 -1.95 0.00 0.00 55.36 51.82 2cr6 s GLN 92 Cb 0.33 -1.76 0.15 0.00 -0.22 0.00 0.00 33.01 31.52 2cr6 s GLN 92 CO 0.06 0.09 0.62 0.50 -0.25 0.00 0.00 175.29 176.31 2cr6 s ARG 93 N -3.67 0.56 0.79 2.91 3.52 -1.26 -3.15 118.95 118.65 2cr6 s ARG 93 Ca 0.34 1.25 -0.09 0.00 -0.13 0.00 0.00 55.73 57.10 2cr6 s ARG 93 Cb 0.03 0.71 0.11 0.00 -1.56 0.00 0.00 34.95 34.24 2cr6 s ARG 93 CO 0.18 -0.37 1.12 0.00 -0.81 0.00 0.00 175.30 175.42 2cr6 s ALA 94 N 2.87 2.91 -0.29 6.12 0.00 -1.01 -4.91 121.76 127.44 2cr6 s ALA 94 Ca 0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 2cr6 s ALA 94 Cb -0.13 -2.63 0.17 0.00 0.00 0.00 0.00 23.12 20.52 2cr6 s ALA 94 CO -0.19 -1.68 0.58 -1.54 0.00 0.00 0.00 175.76 172.93 2cr6 s SER 95 N -4.65 -1.12 -0.02 0.00 1.04 -1.25 -3.33 113.70 104.37 2cr6 s SER 95 Ca 0.65 0.98 0.07 0.00 0.48 0.00 0.00 55.95 58.12 2cr6 s SER 95 Cb -0.08 2.06 -0.02 0.00 0.10 0.00 0.00 66.02 68.08 2cr6 s SER 95 CO 0.47 -0.25 -0.21 0.00 0.98 0.00 0.00 173.24 174.23 2cr6 s ALA 96 N 2.83 1.78 -0.52 5.32 0.00 -1.03 -4.80 121.76 125.34 2cr6 s ALA 96 Ca 0.13 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.90 2cr6 s ALA 96 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2cr6 s ALA 96 CO -0.20 0.43 1.85 0.00 0.00 0.00 0.00 175.76 177.84 2cr6 s ALA 97 N -0.48 2.37 -0.89 0.00 0.00 -1.26 -1.73 121.76 119.78 2cr6 s ALA 97 Ca 0.08 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 2cr6 s ALA 97 Cb -0.08 -4.21 0.15 0.00 0.00 0.00 0.00 23.12 18.98 2cr6 s ALA 97 CO -0.01 -3.51 1.01 -1.17 0.00 0.00 0.00 175.76 172.08 2cr6 s LEU 98 N 8.47 5.54 -0.13 0.00 2.96 -0.68 -1.90 118.68 132.94 2cr6 s LEU 98 Ca 0.72 -2.20 -0.15 0.00 -0.22 0.00 0.00 54.13 52.27 2cr6 s LEU 98 Cb -0.15 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 2cr6 s LEU 98 CO 0.25 -0.93 0.37 -0.13 -1.32 0.00 0.00 176.35 174.59 2cr6 s ARG 99 N 1.98 4.25 -0.17 1.98 0.52 -0.32 -0.05 118.95 127.13 2cr6 s ARG 99 Ca 0.28 0.25 -0.05 0.00 -0.52 0.00 0.00 55.73 55.69 2cr6 s ARG 99 Cb -0.07 -3.41 0.06 0.00 0.52 0.00 0.00 34.95 32.05 2cr6 s ARG 99 CO -0.09 0.25 0.08 0.08 0.02 0.00 0.00 175.30 175.65 2cr6 s VAL 100 N 0.38 -0.00 0.54 3.52 1.01 -1.26 -2.65 120.40 121.93 2cr6 s VAL 100 Ca 0.21 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2cr6 s VAL 100 Cb -0.14 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.66 2cr6 s VAL 100 CO 0.07 -0.27 0.74 0.42 0.00 0.00 0.00 175.10 176.06 2cr6 s THR 101 N 2.10 2.57 1.13 3.92 -4.23 -1.14 -4.71 115.64 115.29 2cr6 s THR 101 Ca 0.02 -0.85 -0.15 0.00 -1.18 0.00 0.00 61.69 59.53 2cr6 s THR 101 Cb -0.16 -2.72 0.20 0.00 1.34 0.00 0.00 72.50 71.15 2cr6 s THR 101 CO -0.09 0.00 0.61 -0.62 -0.54 0.00 0.00 174.62 173.98 2cr6 n GLU 102 N -2.22 -1.90 -4.29 3.99 1.02 -1.26 0.05 120.64 116.03 2cr6 n GLU 102 Ca 0.11 -0.53 -0.20 0.00 -0.02 0.00 0.00 57.16 56.52 2cr6 n GLU 102 Cb 0.60 -1.98 -0.11 0.00 -0.02 0.00 0.00 31.44 29.92 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 -4.00 1.15 0.00 3.49 -2.85 -1.26 -4.19 119.74 112.07 2cr6 s LYS 103 Ca 0.63 -1.32 0.14 0.00 -1.00 0.00 0.00 55.97 54.42 2cr6 s LYS 103 Cb -0.20 -1.12 0.67 0.00 -2.06 0.00 0.00 37.83 35.12 2cr6 s LYS 103 CO 0.65 0.22 1.44 -0.35 0.10 0.00 0.00 175.35 177.41 2cr6 n PRO 104 N 0.42 0.09 -2.45 1.78 -0.04 -1.26 -4.76 135.00 128.78 2cr6 n PRO 104 Ca -0.14 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 2cr6 n PRO 104 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2cr6 n PRO 104 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr6 n SER 105 N -1.41 1.88 -3.78 3.54 2.88 -1.26 -5.15 113.62 110.32 2cr6 n SER 105 Ca 0.05 -1.63 -0.21 0.00 -1.33 0.00 0.00 58.87 55.76 2cr6 n SER 105 Cb 0.15 0.03 -0.17 0.00 -0.75 0.00 0.00 64.21 63.47 2cr6 n SER 105 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2cr6 s VAL 106 N -1.11 0.28 -0.30 2.46 0.11 -1.26 -5.10 120.40 115.47 2cr6 s VAL 106 Ca 0.06 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.08 2cr6 s VAL 106 Cb -0.00 -0.42 0.17 0.00 -1.53 0.00 0.00 36.38 34.60 2cr6 s VAL 106 CO 0.04 0.22 1.16 0.12 -3.33 0.00 0.00 175.10 173.30 2cr6 s PHE 107 N 1.64 -0.26 0.57 1.54 2.19 -1.26 -5.18 117.98 117.22 2cr6 s PHE 107 Ca -0.01 0.26 -0.03 0.00 0.33 0.00 0.00 56.93 57.48 2cr6 s PHE 107 Cb -0.13 0.09 0.02 0.00 -1.31 0.00 0.00 43.02 41.69 2cr6 s PHE 107 CO -0.03 -0.14 0.84 -1.54 1.83 0.00 0.00 175.22 176.17 2cr6 s SER 108 N 2.98 5.43 0.00 6.13 1.04 -1.26 -4.84 113.70 123.18 2cr6 s SER 108 Ca -0.02 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2cr6 s SER 108 Cb -0.08 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.67 2cr6 s SER 108 CO -0.10 -1.10 0.00 0.54 0.98 0.00 0.00 173.24 173.56 2cr6 n ARG 109 N -2.48 0.00 -3.33 4.02 1.74 -1.26 -4.83 116.66 110.53 2cr6 n ARG 109 Ca 0.05 0.26 -0.25 0.00 -0.77 0.00 0.00 57.85 57.14 2cr6 n ARG 109 Cb 0.59 -0.72 -0.08 0.00 -1.02 0.00 0.00 32.46 31.22 2cr6 n ARG 109 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2cr6 n SER 110 N -1.63 1.10 -4.68 0.55 7.64 -1.26 -5.12 113.62 110.22 2cr6 n SER 110 Ca 0.00 -2.85 -0.29 0.00 1.01 0.00 0.00 58.87 56.74 2cr6 n SER 110 Cb 0.00 -0.64 0.16 0.00 -1.01 0.00 0.00 64.21 62.72 2cr6 n SER 110 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cr6 s GLY 111 N -1.30 1.60 0.85 0.23 0.00 -1.26 -5.02 107.32 102.41 2cr6 s GLY 111 Ca 0.35 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 2cr6 s GLY 111 CO -0.11 0.42 1.09 2.56 0.00 0.00 0.00 173.10 177.07 2cr6 s PRO 112 N -4.87 1.67 -0.01 2.90 0.04 -1.26 -5.05 135.00 128.42 2cr6 s PRO 112 Ca 0.65 0.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 2cr6 s PRO 112 Cb -0.19 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2cr6 s PRO 112 CO 0.58 -2.00 0.22 0.45 0.04 0.00 0.00 177.00 176.30 2cr6 s SER 113 N -3.41 6.43 -0.95 6.66 0.15 -1.26 -5.02 113.70 116.30 2cr6 s SER 113 Ca 0.62 0.46 -0.24 0.00 0.70 0.00 0.00 55.95 57.50 2cr6 s SER 113 Cb -0.18 -2.05 0.01 0.00 -1.71 0.00 0.00 66.02 62.09 2cr6 s SER 113 CO 0.57 0.27 1.66 -0.55 1.20 0.00 0.00 173.24 176.38 2cr6 s SER 114 N -1.75 5.91 0.00 5.45 0.15 -1.26 -5.36 113.70 116.84 2cr6 s SER 114 Ca 0.26 -1.05 0.12 0.00 0.70 0.00 0.00 55.95 55.98 2cr6 s SER 114 Cb -0.13 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.71 2cr6 s SER 114 CO 0.16 -2.04 0.88 0.61 1.20 0.00 0.00 173.24 174.05