#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd6 s GLU 2 N 0.00 4.48 -0.08 0.03 2.12 -1.26 -4.94 118.70 119.04 3cd6 s GLU 2 Ca 0.00 1.82 -0.37 0.00 0.36 0.00 0.00 54.97 56.78 3cd6 s GLU 2 Cb 0.00 -3.29 -0.15 0.00 0.26 0.00 0.00 34.13 30.95 3cd6 s GLU 2 CO 0.00 -0.15 1.64 0.00 -0.54 0.00 0.00 175.26 176.22 3cd6 n ALA 3 N 3.12 0.03 -0.01 6.30 0.00 -1.26 -4.88 120.51 123.81 3cd6 n ALA 3 Ca 0.06 0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.95 3cd6 n ALA 3 Cb 0.45 -2.26 0.41 0.00 0.00 0.00 0.00 19.45 18.05 3cd6 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3cd6 h LEU 4 N 6.76 0.49 0.00 0.00 3.38 -1.92 -3.47 115.31 120.56 3cd6 h LEU 4 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3cd6 h LEU 4 Cb 1.30 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3cd6 h LEU 4 CO 0.90 0.36 0.00 0.61 0.09 0.00 0.00 178.44 180.40 3cd6 n GLY 5 N -1.46 0.63 3.58 0.83 0.00 -1.26 -4.72 105.19 102.79 3cd6 n GLY 5 Ca 0.03 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 3cd6 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd6 s ALA 6 N -2.00 -1.86 -0.26 4.61 0.00 -1.26 -4.35 121.76 116.64 3cd6 s ALA 6 Ca 0.00 1.62 -0.15 0.00 0.00 0.00 0.00 51.96 53.43 3cd6 s ALA 6 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3cd6 s ALA 6 CO 0.00 -0.32 0.39 -0.51 0.00 0.00 0.00 175.76 175.32 3cd6 s ASP 7 N -0.67 6.30 -0.10 0.00 1.01 -0.43 -4.93 116.67 117.85 3cd6 s ASP 7 Ca -0.04 0.35 -0.02 0.00 0.71 0.00 0.00 52.55 53.56 3cd6 s ASP 7 Cb -0.02 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 3cd6 s ASP 7 CO 0.03 -0.18 -0.03 -0.69 0.21 0.00 0.00 175.17 174.51 3cd6 s VAL 8 N 1.97 4.02 -0.47 -1.27 1.01 -1.26 -0.28 120.40 124.13 3cd6 s VAL 8 Ca 0.16 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 3cd6 s VAL 8 Cb -0.16 -2.70 0.09 0.00 0.00 0.00 0.00 36.38 33.62 3cd6 s VAL 8 CO 0.09 0.57 0.37 -0.89 0.00 0.00 0.00 175.10 175.25 3cd6 s THR 9 N -0.53 4.85 -0.26 3.92 2.01 -1.25 -5.02 115.64 119.35 3cd6 s THR 9 Ca 0.09 -1.31 -0.37 0.00 0.31 0.00 0.00 61.69 60.41 3cd6 s THR 9 Cb -0.12 -3.98 -0.13 0.00 0.01 0.00 0.00 72.50 68.28 3cd6 s THR 9 CO 0.02 -0.63 1.96 0.00 -0.69 0.00 0.00 174.62 175.27 3cd6 n GLN 10 N 5.10 1.41 0.00 4.92 3.00 -1.26 -4.80 117.38 125.74 3cd6 n GLN 10 Ca -0.12 0.48 0.11 0.00 -0.01 0.00 0.00 57.00 57.46 3cd6 n GLN 10 Cb 0.42 -2.39 0.08 0.00 0.00 0.00 0.00 30.24 28.35 3cd6 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cd6 n GLY 11 N 5.16 -1.06 3.54 1.08 0.00 -1.07 -4.86 105.19 107.99 3cd6 n GLY 11 Ca 0.31 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3cd6 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cd6 s LEU 12 N -2.96 2.82 0.27 0.99 1.43 0.44 -4.94 118.68 116.73 3cd6 s LEU 12 Ca 0.11 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3cd6 s LEU 12 Cb 0.17 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 3cd6 s LEU 12 CO 0.76 0.03 0.07 -1.61 0.23 0.00 0.00 176.35 175.83 3cd6 s GLU 13 N -3.51 1.47 0.04 1.70 2.02 -1.26 -0.31 118.70 118.84 3cd6 s GLU 13 Ca 0.30 -1.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.19 3cd6 s GLU 13 Cb -0.06 -0.49 -0.08 0.00 0.10 0.00 0.00 34.13 33.60 3cd6 s GLU 13 CO 0.17 -0.23 1.67 0.21 0.02 0.00 0.00 175.26 177.09 3cd6 s LYS 14 N -3.97 4.19 0.00 1.61 2.20 -0.59 -1.65 119.74 121.54 3cd6 s LYS 14 Ca 0.36 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 3cd6 s LYS 14 Cb 0.08 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3cd6 s LYS 14 CO 0.13 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 3cd6 n GLY 15 N 4.05 0.40 3.77 5.54 0.00 0.21 -4.96 105.19 114.19 3cd6 n GLY 15 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3cd6 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cd6 s SER 16 N -2.13 6.77 -0.30 1.61 0.01 -0.66 -4.72 113.70 114.28 3cd6 s SER 16 Ca 0.00 2.44 -0.13 0.00 1.31 0.00 0.00 55.95 59.58 3cd6 s SER 16 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 3cd6 s SER 16 CO 0.00 -0.51 0.27 -0.76 0.41 0.00 0.00 173.24 172.64 3cd6 s LEU 17 N -2.03 4.16 0.35 2.44 1.43 -1.26 -1.38 118.68 122.40 3cd6 s LEU 17 Ca 0.52 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3cd6 s LEU 17 Cb -0.34 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 3cd6 s LEU 17 CO 0.44 -0.15 -0.01 0.27 0.23 0.00 0.00 176.35 177.13 3cd6 s ILE 18 N 1.86 1.75 0.17 -0.59 -4.36 0.76 -4.97 121.20 115.82 3cd6 s ILE 18 Ca 0.09 -2.05 -0.21 0.00 -0.26 0.00 0.00 60.65 58.22 3cd6 s ILE 18 Cb -0.16 -2.79 -0.08 0.00 1.25 0.00 0.00 42.46 40.68 3cd6 s ILE 18 CO 0.11 -0.09 0.70 -0.89 0.24 0.00 0.00 174.94 175.01 3cd6 s THR 19 N -2.91 4.55 -0.62 8.37 2.01 -0.41 -0.76 115.64 125.87 3cd6 s THR 19 Ca 0.34 1.39 -0.16 0.00 0.31 0.00 0.00 61.69 63.57 3cd6 s THR 19 Cb 0.07 -3.95 0.15 0.00 0.01 0.00 0.00 72.50 68.78 3cd6 s THR 19 CO 0.16 0.38 0.60 0.00 -0.69 0.00 0.00 174.62 175.06 3cd6 n ALA 21 N 5.11 6.61 -3.82 0.00 0.00 -0.21 -4.76 120.51 123.43 3cd6 n ALA 21 Ca -0.06 -3.43 -0.06 0.00 0.00 0.00 0.00 53.44 49.89 3cd6 n ALA 21 Cb 0.42 -3.38 -0.01 0.00 0.00 0.00 0.00 19.45 16.47 3cd6 n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3cd6 s ASP 22 N 2.67 -0.20 -0.22 0.00 1.47 -1.26 -2.68 116.67 116.44 3cd6 s ASP 22 Ca 0.61 -0.57 0.08 0.00 1.18 0.00 0.00 52.55 53.84 3cd6 s ASP 22 Cb 0.16 0.64 0.56 0.00 -0.34 0.00 0.00 42.92 43.94 3cd6 s ASP 22 CO -0.06 -1.19 1.49 -0.46 0.68 0.00 0.00 175.17 175.63 3cd6 n ASN 23 N -0.56 4.15 0.23 2.11 6.94 -1.05 -4.56 115.26 122.52 3cd6 n ASN 23 Ca -0.05 -2.83 0.10 0.00 -0.02 0.00 0.00 54.58 51.78 3cd6 n ASN 23 Cb 0.60 -0.67 0.57 0.00 -2.36 0.00 0.00 39.78 37.92 3cd6 n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3cd6 h THR 24 N 2.19 0.72 0.00 5.53 1.35 -1.92 -3.46 112.91 117.32 3cd6 h THR 24 Ca 0.15 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3cd6 h THR 24 Cb 1.82 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3cd6 h THR 24 CO 0.50 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 3cd6 n GLY 25 N -0.42 0.88 3.59 5.82 0.00 -1.26 -4.97 105.19 108.83 3cd6 n GLY 25 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3cd6 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd6 s ALA 26 N -2.00 3.36 -0.27 4.61 0.00 -1.26 -1.14 121.76 125.05 3cd6 s ALA 26 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 3cd6 s ALA 26 Cb 0.00 -1.98 -0.12 0.00 0.00 0.00 0.00 23.12 21.03 3cd6 s ALA 26 CO 0.00 0.01 -0.35 0.54 0.00 0.00 0.00 175.76 175.95 3cd6 n ARG 27 N 3.90 0.58 -5.12 0.00 1.74 -0.25 -4.61 116.66 112.90 3cd6 n ARG 27 Ca -0.16 0.25 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 3cd6 n ARG 27 Cb 0.52 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 30.34 3cd6 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3cd6 s GLU 28 N -2.51 2.69 0.09 5.56 2.12 -0.71 -1.47 118.70 124.47 3cd6 s GLU 28 Ca -0.38 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 54.20 3cd6 s GLU 28 Cb 0.14 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.22 3cd6 s GLU 28 CO 0.48 0.40 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.90 3cd6 s LEU 29 N -0.18 2.67 -0.19 2.70 1.43 0.06 -1.07 118.68 124.11 3cd6 s LEU 29 Ca -0.02 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3cd6 s LEU 29 Cb -0.14 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3cd6 s LEU 29 CO 0.04 0.21 -0.17 -0.75 0.23 0.00 0.00 176.35 175.90 3cd6 s LYS 30 N -1.89 3.02 0.01 1.70 2.20 0.13 -0.17 119.74 124.73 3cd6 s LYS 30 Ca 0.17 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 3cd6 s LYS 30 Cb -0.11 -2.65 -0.06 0.00 -1.51 0.00 0.00 37.83 33.50 3cd6 s LYS 30 CO 0.08 -0.22 1.54 0.08 -0.36 0.00 0.00 175.35 176.47 3cd6 s VAL 31 N 1.31 3.46 -0.15 4.02 1.01 -0.48 -0.40 120.40 129.17 3cd6 s VAL 31 Ca 0.05 0.81 -0.11 0.00 0.00 0.00 0.00 61.98 62.73 3cd6 s VAL 31 Cb -0.13 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 3cd6 s VAL 31 CO -0.11 -0.02 -0.25 -0.38 0.00 0.00 0.00 175.10 174.34 3cd6 n ILE 32 N 4.86 1.25 -4.06 2.22 5.41 -0.53 0.65 119.36 129.16 3cd6 n ILE 32 Ca 0.15 -0.04 -0.10 0.00 1.00 0.00 0.00 62.75 63.76 3cd6 n ILE 32 Cb 0.42 -1.94 -0.09 0.00 -0.71 0.00 0.00 39.64 37.33 3cd6 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3cd6 s SER 33 N -6.39 0.19 -0.13 4.38 0.01 -1.15 -4.75 113.70 105.87 3cd6 s SER 33 Ca -0.24 -1.05 0.03 0.00 1.31 0.00 0.00 55.95 55.99 3cd6 s SER 33 Cb 0.07 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.66 3cd6 s SER 33 CO 0.33 -0.80 -0.22 -0.69 0.41 0.00 0.00 173.24 172.27 3cd6 s VAL 34 N -4.01 2.13 0.23 3.43 1.01 -1.26 -0.50 120.40 121.42 3cd6 s VAL 34 Ca 0.21 -0.97 -0.32 0.00 0.00 0.00 0.00 61.98 60.90 3cd6 s VAL 34 Cb 0.06 -1.84 -0.12 0.00 0.00 0.00 0.00 36.38 34.48 3cd6 s VAL 34 CO 0.01 0.55 1.70 -2.28 0.00 0.00 0.00 175.10 175.07 3cd6 s HIS 35 N 0.65 2.86 0.00 5.22 2.46 -0.36 -2.27 115.29 123.85 3cd6 s HIS 35 Ca -0.11 0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.86 3cd6 s HIS 35 Cb -0.16 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.15 3cd6 s HIS 35 CO 0.02 -4.18 0.00 0.41 -2.47 0.00 0.00 174.74 168.52 3cd6 n GLY 36 N 3.56 1.45 3.82 1.59 0.00 -1.26 -4.81 105.19 109.53 3cd6 n GLY 36 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3cd6 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cd6 s TYR 37 N -3.27 3.67 -0.21 1.61 5.04 -0.96 -5.06 117.35 118.16 3cd6 s TYR 37 Ca 0.00 1.28 -0.04 0.00 -2.44 0.00 0.00 57.07 55.87 3cd6 s TYR 37 Cb 0.00 -2.53 0.11 0.00 0.35 0.00 0.00 41.96 39.89 3cd6 s TYR 37 CO 0.00 0.41 0.36 0.45 -1.34 0.00 0.00 175.55 175.42 3cd6 s SER 38 N -1.58 0.24 0.00 4.32 0.15 -1.26 -4.93 113.70 110.64 3cd6 s SER 38 Ca 0.39 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.48 3cd6 s SER 38 Cb -0.17 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 3cd6 s SER 38 CO 0.20 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.98 3cd6 n GLY 39 N 5.37 1.09 3.25 9.45 0.00 -1.26 -5.15 105.19 117.94 3cd6 n GLY 39 Ca -0.05 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 3cd6 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cd6 s THR 40 N 0.91 0.04 0.19 2.61 -1.32 -1.26 -5.09 115.64 111.72 3cd6 s THR 40 Ca 0.00 -1.81 -0.33 0.00 -1.21 0.00 0.00 61.69 58.34 3cd6 s THR 40 Cb 0.00 -2.23 -0.13 0.00 -1.51 0.00 0.00 72.50 68.63 3cd6 s THR 40 CO 0.00 -0.18 1.59 1.17 -2.21 0.00 0.00 174.62 174.99 3cd6 n LYS 41 N -0.22 2.31 0.00 7.08 4.81 -1.26 -2.30 118.16 128.58 3cd6 n LYS 41 Ca -0.02 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3cd6 n LYS 41 Cb 0.64 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 33.09 3cd6 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3cd6 n ASN 42 N 3.27 0.00 -4.72 3.14 3.02 -1.26 -4.99 115.26 113.72 3cd6 n ASN 42 Ca 0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3cd6 n ASN 42 Cb 0.31 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3cd6 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3cd6 s ARG 43 N 0.00 4.45 -0.19 3.52 3.52 -0.97 -4.99 118.95 124.29 3cd6 s ARG 43 Ca 0.00 1.78 -0.29 0.00 -0.13 0.00 0.00 55.73 57.09 3cd6 s ARG 43 Cb 0.00 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 3cd6 s ARG 43 CO 0.00 -0.20 1.08 -1.01 -0.81 0.00 0.00 175.30 174.36 3cd6 s HIS 44 N 0.78 3.28 -0.09 5.12 3.76 -1.26 -4.76 115.29 122.12 3cd6 s HIS 44 Ca 0.57 1.40 -0.33 0.00 -0.15 0.00 0.00 55.06 56.55 3cd6 s HIS 44 Cb -0.30 -3.30 -0.11 0.00 1.11 0.00 0.00 32.58 29.98 3cd6 s HIS 44 CO 0.31 -0.68 1.94 -0.35 -0.85 0.00 0.00 174.74 175.11 3cd6 n PRO 45 N 6.09 2.24 -3.40 8.40 -0.04 -1.26 -4.83 135.00 142.20 3cd6 n PRO 45 Ca 0.12 0.80 -0.38 0.00 -0.04 0.00 0.00 63.50 64.00 3cd6 n PRO 45 Cb 0.46 -2.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.12 3cd6 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3cd6 s LYS 46 N 4.44 4.05 0.04 0.54 -2.85 -1.26 -1.54 119.74 123.15 3cd6 s LYS 46 Ca 0.94 0.54 0.07 0.00 -1.00 0.00 0.00 55.97 56.52 3cd6 s LYS 46 Cb -0.63 -3.24 -0.02 0.00 -2.06 0.00 0.00 37.83 31.87 3cd6 s LYS 46 CO 0.49 0.63 -0.21 0.00 0.10 0.00 0.00 175.35 176.36 3cd6 s ALA 47 N -0.97 1.79 0.09 0.59 0.00 0.57 -4.92 121.76 118.92 3cd6 s ALA 47 Ca 0.26 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 3cd6 s ALA 47 Cb -0.18 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3cd6 s ALA 47 CO 0.15 0.41 0.12 0.41 0.00 0.00 0.00 175.76 176.86 3cd6 n GLY 48 N 1.94 2.94 3.68 0.00 0.00 -1.26 -0.42 105.19 112.07 3cd6 n GLY 48 Ca -0.17 -1.46 -0.46 0.00 0.00 0.00 0.00 46.02 43.93 3cd6 n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cd6 n LEU 49 N 0.00 3.55 0.00 0.99 7.94 -1.26 -2.01 117.00 126.21 3cd6 n LEU 49 Ca 0.00 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3cd6 n LEU 49 Cb 0.15 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.66 3cd6 n LEU 49 CO 0.08 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 176.92 3cd6 n GLY 50 N 4.08 0.81 3.81 -3.96 0.00 -0.88 -4.98 105.19 104.06 3cd6 n GLY 50 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3cd6 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cd6 s ASP 51 N -3.00 7.05 -0.24 1.61 1.01 -0.85 -4.87 116.67 117.38 3cd6 s ASP 51 Ca 0.00 1.25 -0.22 0.00 0.71 0.00 0.00 52.55 54.29 3cd6 s ASP 51 Cb 0.00 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.56 3cd6 s ASP 51 CO 0.00 0.26 0.71 -0.75 0.21 0.00 0.00 175.17 175.60 3cd6 s LYS 52 N -1.04 4.16 0.15 8.23 2.20 -1.26 -1.93 119.74 130.25 3cd6 s LYS 52 Ca 0.29 0.71 0.11 0.00 -0.36 0.00 0.00 55.97 56.72 3cd6 s LYS 52 Cb -0.19 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 3cd6 s LYS 52 CO 0.19 -0.42 -0.26 0.96 -0.36 0.00 0.00 175.35 175.46 3cd6 s ILE 53 N 2.52 2.27 0.04 5.43 -4.36 0.92 -1.23 121.20 126.79 3cd6 s ILE 53 Ca 0.30 -1.84 -0.20 0.00 -0.26 0.00 0.00 60.65 58.65 3cd6 s ILE 53 Cb -0.16 -2.03 -0.06 0.00 1.25 0.00 0.00 42.46 41.47 3cd6 s ILE 53 CO 0.08 0.02 0.58 -0.89 0.24 0.00 0.00 174.94 174.97 3cd6 s THR 54 N -1.26 4.82 0.14 8.37 2.01 0.34 -0.05 115.64 130.02 3cd6 s THR 54 Ca 0.16 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.41 3cd6 s THR 54 Cb -0.09 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3cd6 s THR 54 CO 0.07 0.49 -0.06 0.54 -0.69 0.00 0.00 174.62 174.97 3cd6 s VAL 55 N -0.68 0.89 0.00 3.82 0.11 0.12 -1.45 120.40 123.21 3cd6 s VAL 55 Ca 0.30 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.42 3cd6 s VAL 55 Cb -0.19 -1.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.75 3cd6 s VAL 55 CO 0.18 -0.70 -0.23 -0.55 -3.33 0.00 0.00 175.10 170.47 3cd6 s SER 56 N -3.14 2.76 -0.40 3.54 0.15 0.46 -1.65 113.70 115.43 3cd6 s SER 56 Ca 0.17 -0.46 -0.18 0.00 0.70 0.00 0.00 55.95 56.18 3cd6 s SER 56 Cb 0.04 -0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 3cd6 s SER 56 CO 0.00 0.26 0.52 -0.69 1.20 0.00 0.00 173.24 174.54 3cd6 s VAL 57 N -0.62 4.99 -0.12 4.45 1.01 -0.85 0.17 120.40 129.43 3cd6 s VAL 57 Ca 0.09 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 3cd6 s VAL 57 Cb -0.09 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3cd6 s VAL 57 CO -0.00 -0.38 0.05 0.74 0.00 0.00 0.00 175.10 175.51 3cd6 h THR 58 N 5.72 0.24 -4.29 3.92 2.02 -1.44 -2.20 112.91 116.89 3cd6 h THR 58 Ca -0.27 -1.20 -0.69 0.00 0.77 0.00 0.00 66.41 65.01 3cd6 h THR 58 Cb 1.11 0.48 -0.29 0.00 -1.74 0.00 0.00 68.15 67.71 3cd6 h THR 58 CO 0.81 0.08 -0.87 -0.54 0.37 0.00 0.00 175.52 175.38 3cd6 s LYS 59 N -1.83 2.35 0.00 6.66 1.02 -1.17 -4.83 119.74 121.94 3cd6 s LYS 59 Ca -0.07 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.04 3cd6 s LYS 59 Cb 0.00 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 3cd6 s LYS 59 CO 0.16 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.50 3cd6 n GLY 60 N 2.62 -0.70 3.76 -3.33 0.00 -1.26 -1.09 105.19 105.18 3cd6 n GLY 60 Ca -0.17 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 3cd6 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cd6 s THR 61 N -3.00 3.57 0.44 2.61 -4.23 -0.29 -4.78 115.64 109.97 3cd6 s THR 61 Ca 0.00 1.55 0.32 0.00 -1.18 0.00 0.00 61.69 62.37 3cd6 s THR 61 Cb 0.00 -3.97 0.50 0.00 1.34 0.00 0.00 72.50 70.37 3cd6 s THR 61 CO 0.00 0.34 1.60 -0.65 -0.54 0.00 0.00 174.62 175.37 3cd6 h PRO 62 N 3.73 0.05 0.00 3.99 0.11 -1.93 0.16 132.00 138.11 3cd6 h PRO 62 Ca -0.47 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3cd6 h PRO 62 Cb 1.21 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3cd6 h PRO 62 CO 0.67 0.03 -0.64 0.93 -0.21 0.00 0.00 178.00 178.78 3cd6 h GLU 63 N 0.05 0.00 0.00 1.05 4.39 -1.96 -3.25 114.58 114.85 3cd6 h GLU 63 Ca 0.85 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 60.33 3cd6 h GLU 63 Cb 2.72 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 31.33 3cd6 h GLU 63 CO -0.43 0.64 -1.71 -1.33 -1.16 0.00 0.00 179.01 175.02 3cd6 n MET 64 N -3.56 0.64 -1.98 2.33 2.81 0.40 -4.90 117.12 112.86 3cd6 n MET 64 Ca -0.00 0.17 -0.38 0.00 -1.81 0.00 0.00 57.70 55.67 3cd6 n MET 64 Cb 0.68 -1.73 0.01 0.00 -0.71 0.00 0.00 33.22 31.48 3cd6 n MET 64 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3cd6 s ARG 65 N -2.81 3.54 0.00 0.03 0.52 -0.19 -3.14 118.95 116.90 3cd6 s ARG 65 Ca -0.05 2.10 0.00 0.00 -0.52 0.00 0.00 55.73 57.26 3cd6 s ARG 65 Cb 0.08 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.12 3cd6 s ARG 65 CO 0.83 -0.83 0.00 0.54 0.02 0.00 0.00 175.30 175.86 3cd6 n ARG 66 N -0.57 -0.37 -3.02 3.54 1.74 -0.83 -4.98 116.66 112.17 3cd6 n ARG 66 Ca 0.08 0.09 -0.37 0.00 -0.77 0.00 0.00 57.85 56.88 3cd6 n ARG 66 Cb 0.45 -3.63 -0.06 0.00 -1.02 0.00 0.00 32.46 28.20 3cd6 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3cd6 s GLN 67 N -0.65 4.39 -0.42 5.56 -0.21 -1.19 -4.81 119.66 122.33 3cd6 s GLN 67 Ca 0.00 1.02 -0.10 0.00 0.02 0.00 0.00 55.36 56.29 3cd6 s GLN 67 Cb 0.00 -2.98 0.07 0.00 1.00 0.00 0.00 33.01 31.10 3cd6 s GLN 67 CO 0.00 0.43 0.27 0.08 -2.12 0.00 0.00 175.29 173.95 3cd6 s VAL 68 N -1.42 4.40 0.26 1.09 1.01 -1.26 -2.00 120.40 122.48 3cd6 s VAL 68 Ca 0.42 -1.28 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3cd6 s VAL 68 Cb -0.19 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3cd6 s VAL 68 CO 0.23 -0.47 -0.04 -0.76 0.00 0.00 0.00 175.10 174.05 3cd6 s LEU 69 N 1.47 2.39 0.35 3.92 1.43 -0.66 -4.96 118.68 122.61 3cd6 s LEU 69 Ca 0.03 -1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 51.84 3cd6 s LEU 69 Cb -0.23 -0.51 -0.06 0.00 0.03 0.00 0.00 46.19 45.42 3cd6 s LEU 69 CO 0.03 -0.40 0.69 -1.61 0.23 0.00 0.00 176.35 175.29 3cd6 s GLU 70 N -3.77 3.77 0.17 1.70 2.02 -1.26 0.11 118.70 121.44 3cd6 s GLU 70 Ca 0.29 0.35 -0.15 0.00 0.02 0.00 0.00 54.97 55.48 3cd6 s GLU 70 Cb 0.04 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.81 3cd6 s GLU 70 CO 0.11 0.08 0.44 0.00 0.02 0.00 0.00 175.26 175.91 3cd6 s ALA 71 N -2.20 -0.70 -0.10 5.21 0.00 0.93 -1.19 121.76 123.70 3cd6 s ALA 71 Ca 0.49 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.13 3cd6 s ALA 71 Cb -0.10 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.83 3cd6 s ALA 71 CO 0.28 -0.73 -0.24 0.08 0.00 0.00 0.00 175.76 175.16 3cd6 s VAL 72 N -3.88 2.04 -0.14 0.00 1.01 -0.37 -0.05 120.40 119.01 3cd6 s VAL 72 Ca 0.10 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 3cd6 s VAL 72 Cb 0.01 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3cd6 s VAL 72 CO -0.04 0.56 1.26 -0.69 0.00 0.00 0.00 175.10 176.19 3cd6 s VAL 73 N 0.39 4.25 -0.14 2.92 1.01 -0.81 -1.14 120.40 126.88 3cd6 s VAL 73 Ca -0.18 1.53 0.10 0.00 0.00 0.00 0.00 61.98 63.43 3cd6 s VAL 73 Cb -0.18 -3.98 -0.16 0.00 0.00 0.00 0.00 36.38 32.06 3cd6 s VAL 73 CO 0.08 -0.11 0.01 0.52 0.00 0.00 0.00 175.10 175.60 3cd6 n VAL 74 N 5.22 0.96 -4.00 2.92 0.31 0.75 -2.08 118.33 122.40 3cd6 n VAL 74 Ca 0.13 -0.55 -0.09 0.00 -0.01 0.00 0.00 64.34 63.82 3cd6 n VAL 74 Cb 0.45 -0.72 -0.11 0.00 -0.91 0.00 0.00 33.84 32.55 3cd6 n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3cd6 s ARG 75 N -2.34 0.36 -0.12 5.55 0.52 -0.68 -3.71 118.95 118.54 3cd6 s ARG 75 Ca -0.10 -0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 54.24 3cd6 s ARG 75 Cb 0.04 0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.67 3cd6 s ARG 75 CO 0.54 -0.05 0.46 1.14 0.02 0.00 0.00 175.30 177.40 3cd6 s GLN 76 N -1.79 0.65 0.25 3.54 -2.07 -1.20 -1.09 119.66 117.94 3cd6 s GLN 76 Ca -0.13 0.38 0.04 0.00 -1.82 0.00 0.00 55.36 53.84 3cd6 s GLN 76 Cb -0.08 0.31 0.30 0.00 -1.09 0.00 0.00 33.01 32.45 3cd6 s GLN 76 CO -0.02 -0.13 1.60 0.00 -1.32 0.00 0.00 175.29 175.42 3cd6 h ARG 77 N 4.67 0.29 -6.60 9.60 3.08 -1.76 -2.16 114.38 121.50 3cd6 h ARG 77 Ca -0.28 -0.17 -0.52 0.00 0.07 0.00 0.00 59.98 59.08 3cd6 h ARG 77 Cb 1.17 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.25 3cd6 h ARG 77 CO 0.28 0.74 0.52 0.21 -1.07 0.00 0.00 179.97 180.66 3cd6 s LYS 78 N -3.94 4.51 0.70 0.04 2.47 -1.26 -4.37 119.74 117.90 3cd6 s LYS 78 Ca -0.05 1.77 -0.16 0.00 -1.56 0.00 0.00 55.97 55.97 3cd6 s LYS 78 Cb 0.12 -3.29 0.02 0.00 -1.46 0.00 0.00 37.83 33.22 3cd6 s LYS 78 CO 0.80 -0.07 1.21 -2.30 0.16 0.00 0.00 175.35 175.14 3cd6 n PRO 79 N 2.89 0.77 -4.40 4.03 -0.02 -1.26 -4.81 135.00 132.20 3cd6 n PRO 79 Ca 0.05 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.63 3cd6 n PRO 79 Cb 0.46 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 3cd6 n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3cd6 s ILE 80 N -1.65 2.11 -0.16 4.25 -4.36 -0.68 -3.90 121.20 116.81 3cd6 s ILE 80 Ca 0.79 -2.20 -0.02 0.00 -0.26 0.00 0.00 60.65 58.96 3cd6 s ILE 80 Cb -0.35 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 3cd6 s ILE 80 CO 0.45 -0.40 -0.09 -0.60 0.24 0.00 0.00 174.94 174.54 3cd6 s ARG 81 N -3.27 3.41 0.29 0.37 3.52 0.62 -1.47 118.95 122.41 3cd6 s ARG 81 Ca 0.24 -0.65 -0.06 0.00 -0.13 0.00 0.00 55.73 55.12 3cd6 s ARG 81 Cb -0.04 -2.78 -0.06 0.00 -1.56 0.00 0.00 34.95 30.51 3cd6 s ARG 81 CO 0.10 0.08 0.57 1.03 -0.81 0.00 0.00 175.30 176.27 3cd6 s ARG 82 N 0.72 3.68 0.61 5.12 0.52 -0.71 -1.32 118.95 127.57 3cd6 s ARG 82 Ca -0.04 0.11 0.29 0.00 -0.52 0.00 0.00 55.73 55.56 3cd6 s ARG 82 Cb -0.15 -2.62 1.50 0.00 0.52 0.00 0.00 34.95 34.19 3cd6 s ARG 82 CO 0.02 0.21 1.89 -1.35 0.02 0.00 0.00 175.30 176.09 3cd6 h PRO 83 N 1.84 0.00 -0.62 3.54 0.11 -1.89 -0.24 132.00 134.74 3cd6 h PRO 83 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cd6 h PRO 83 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cd6 h PRO 83 CO 0.67 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 3cd6 n ASP 84 N -3.45 1.93 0.00 -2.05 5.75 -1.26 -4.91 116.55 112.57 3cd6 n ASP 84 Ca 0.05 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 3cd6 n ASP 84 Cb 0.58 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3cd6 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cd6 n GLY 85 N 0.45 2.24 3.70 6.12 0.00 -0.10 -5.02 105.19 112.58 3cd6 n GLY 85 Ca 0.08 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3cd6 n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cd6 n THR 86 N 0.00 2.10 -3.85 2.61 -1.04 -1.26 -4.64 114.28 108.20 3cd6 n THR 86 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 3cd6 n THR 86 Cb 0.00 -1.57 -0.05 0.00 -1.82 0.00 0.00 70.33 66.89 3cd6 n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3cd6 s ARG 87 N -1.94 3.49 -0.05 -2.82 1.81 -1.26 -1.74 118.95 116.44 3cd6 s ARG 87 Ca 0.56 -0.22 0.02 0.00 -1.72 0.00 0.00 55.73 54.37 3cd6 s ARG 87 Cb -0.56 -3.09 0.01 0.00 -0.45 0.00 0.00 34.95 30.87 3cd6 s ARG 87 CO 0.62 0.66 -0.10 0.08 -0.68 0.00 0.00 175.30 175.88 3cd6 s VAL 88 N -1.32 0.94 0.04 3.52 1.01 -0.54 -4.93 120.40 119.13 3cd6 s VAL 88 Ca 0.27 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3cd6 s VAL 88 Cb -0.13 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3cd6 s VAL 88 CO 0.17 0.30 -0.05 -1.59 0.00 0.00 0.00 175.10 173.94 3cd6 s LYS 89 N 0.53 0.51 0.45 2.72 -2.85 -1.26 -1.69 119.74 118.15 3cd6 s LYS 89 Ca -0.10 -0.86 0.08 0.00 -1.00 0.00 0.00 55.97 54.09 3cd6 s LYS 89 Cb -0.13 -0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.57 3cd6 s LYS 89 CO 0.02 -0.02 0.45 -0.06 0.10 0.00 0.00 175.35 175.84 3cd6 s PHE 90 N -2.10 2.42 0.12 1.78 0.40 -0.81 -5.03 117.98 114.76 3cd6 s PHE 90 Ca -0.06 -0.56 -0.05 0.00 -0.60 0.00 0.00 56.93 55.66 3cd6 s PHE 90 Cb -0.05 -2.16 -0.12 0.00 0.51 0.00 0.00 43.02 41.20 3cd6 s PHE 90 CO -0.02 -0.32 1.28 1.49 0.70 0.00 0.00 175.22 178.35 3cd6 h GLU 91 N 0.85 0.41 0.00 0.44 4.22 -1.94 -3.39 114.58 115.17 3cd6 h GLU 91 Ca -0.39 -0.46 -0.39 0.00 0.08 0.00 0.00 59.36 58.20 3cd6 h GLU 91 Cb 1.28 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 3cd6 h GLU 91 CO 0.54 1.13 -0.38 -0.40 -2.18 0.00 0.00 179.01 177.72 3cd6 n ASP 92 N -3.73 -0.37 -4.41 1.04 5.75 -1.26 -4.91 116.55 108.66 3cd6 n ASP 92 Ca -0.07 -2.76 -0.35 0.00 -0.01 0.00 0.00 54.79 51.60 3cd6 n ASP 92 Cb 0.86 1.29 -0.13 0.00 -1.03 0.00 0.00 41.12 42.10 3cd6 n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3cd6 s ASN 93 N -2.89 4.69 0.04 -1.12 0.01 -1.26 -3.26 114.94 111.14 3cd6 s ASN 93 Ca 0.30 -0.26 -0.01 0.00 -0.71 0.00 0.00 52.86 52.18 3cd6 s ASN 93 Cb 0.01 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.84 3cd6 s ASN 93 CO 0.21 0.03 -0.01 0.00 -1.51 0.00 0.00 177.10 175.83 3cd6 s ALA 94 N 1.18 0.26 0.03 0.60 0.00 -0.25 -1.29 121.76 122.29 3cd6 s ALA 94 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3cd6 s ALA 94 Cb -0.14 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3cd6 s ALA 94 CO 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 175.76 175.49 3cd6 s ALA 95 N -2.78 0.21 -0.17 0.00 0.00 0.39 -0.18 121.76 119.24 3cd6 s ALA 95 Ca -0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3cd6 s ALA 95 Cb -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 3cd6 s ALA 95 CO -0.06 -0.27 -0.12 0.08 0.00 0.00 0.00 175.76 175.39 3cd6 s VAL 96 N -2.60 2.96 0.32 0.00 1.01 -0.29 -1.05 120.40 120.75 3cd6 s VAL 96 Ca -0.05 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 3cd6 s VAL 96 Cb -0.02 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 3cd6 s VAL 96 CO -0.05 0.49 1.33 -0.63 0.00 0.00 0.00 175.10 176.24 3cd6 s ILE 97 N 0.89 2.71 0.12 2.22 1.01 -1.26 -1.24 121.20 125.65 3cd6 s ILE 97 Ca -0.03 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.35 3cd6 s ILE 97 Cb -0.15 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3cd6 s ILE 97 CO -0.00 0.16 -0.09 -0.69 0.00 0.00 0.00 174.94 174.31 3cd6 s VAL 98 N -0.96 0.98 0.00 2.92 1.01 -0.34 -2.25 120.40 121.77 3cd6 s VAL 98 Ca 0.50 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.56 3cd6 s VAL 98 Cb -0.40 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3cd6 s VAL 98 CO 0.51 -0.74 0.00 -0.90 0.00 0.00 0.00 175.10 173.98 3cd6 n ASP 99 N 0.02 0.27 -0.33 3.32 5.68 -0.24 -4.07 116.55 121.21 3cd6 n ASP 99 Ca -0.12 -0.81 0.08 0.00 -0.50 0.00 0.00 54.79 53.43 3cd6 n ASP 99 Cb 0.60 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.85 3cd6 n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3cd6 h GLU 100 N 0.00 0.91 -0.71 0.11 5.08 -1.99 -2.46 114.58 115.51 3cd6 h GLU 100 Ca 0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3cd6 h GLU 100 Cb 0.00 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3cd6 h GLU 100 CO 0.00 0.60 0.06 0.09 -1.00 0.00 0.00 179.01 178.76 3cd6 n ASN 101 N -4.57 4.55 -1.77 1.42 3.02 -1.26 -4.92 115.26 111.73 3cd6 n ASN 101 Ca 0.17 -2.78 -0.19 0.00 -0.03 0.00 0.00 54.58 51.75 3cd6 n ASN 101 Cb 0.35 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 3cd6 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cd6 n GLU 102 N 0.35 -1.42 -3.72 3.52 1.02 -0.93 -5.01 120.64 114.44 3cd6 n GLU 102 Ca 0.24 1.08 -0.37 0.00 -0.02 0.00 0.00 57.16 58.09 3cd6 n GLU 102 Cb 1.03 -5.50 -0.06 0.00 -0.02 0.00 0.00 31.44 26.89 3cd6 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cd6 s ASP 103 N -2.53 6.54 0.45 1.62 1.01 -1.26 -4.69 116.67 117.82 3cd6 s ASP 103 Ca 0.00 0.65 -0.25 0.00 0.71 0.00 0.00 52.55 53.66 3cd6 s ASP 103 Cb 0.00 -2.14 -0.08 0.00 1.01 0.00 0.00 42.92 41.71 3cd6 s ASP 103 CO 0.00 0.36 1.39 -2.16 0.21 0.00 0.00 175.17 174.98 3cd6 s PRO 104 N -0.96 3.67 0.21 8.23 0.04 -1.26 -1.08 135.00 143.85 3cd6 s PRO 104 Ca 0.18 2.34 0.07 0.00 0.04 0.00 0.00 61.00 63.63 3cd6 s PRO 104 Cb -0.14 -2.62 0.14 0.00 0.04 0.00 0.00 34.50 31.92 3cd6 s PRO 104 CO 0.07 -0.80 1.48 -0.09 0.04 0.00 0.00 177.00 177.71 3cd6 h ARG 105 N 2.28 0.09 0.00 4.56 2.43 -1.77 -3.46 114.38 118.51 3cd6 h ARG 105 Ca -0.51 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3cd6 h ARG 105 Cb 1.27 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3cd6 h ARG 105 CO 0.61 0.80 0.00 0.41 -1.51 0.00 0.00 179.97 180.28 3cd6 n GLY 106 N 0.61 0.78 0.00 2.80 0.00 -1.26 -4.94 105.19 103.17 3cd6 n GLY 106 Ca -0.02 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3cd6 n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cd6 n THR 107 N 0.00 0.00 -4.73 2.61 -1.04 -1.26 -5.03 114.28 104.83 3cd6 n THR 107 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 3cd6 n THR 107 Cb 0.00 -0.39 -0.13 0.00 -1.82 0.00 0.00 70.33 67.99 3cd6 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3cd6 s GLU 108 N -1.69 3.02 -0.23 -2.82 2.02 -1.26 -4.95 118.70 112.79 3cd6 s GLU 108 Ca 0.00 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.28 3cd6 s GLU 108 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 3cd6 s GLU 108 CO 0.00 0.44 0.06 -0.51 0.02 0.00 0.00 175.26 175.27 3cd6 s LEU 109 N -0.23 3.49 0.11 1.80 1.43 -1.25 -2.54 118.68 121.50 3cd6 s LEU 109 Ca 0.02 -0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 52.71 3cd6 s LEU 109 Cb -0.13 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.10 3cd6 s LEU 109 CO 0.03 0.01 0.79 -0.54 0.23 0.00 0.00 176.35 176.87 3cd6 s LYS 110 N 1.34 4.55 0.19 1.70 1.02 -1.09 -4.55 119.74 122.91 3cd6 s LYS 110 Ca 0.05 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.19 3cd6 s LYS 110 Cb -0.15 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3cd6 s LYS 110 CO 0.03 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 3cd6 n GLY 111 N 1.98 -2.15 3.70 -3.33 0.00 -1.26 -4.74 105.19 99.38 3cd6 n GLY 111 Ca -0.04 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 3cd6 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cd6 s PRO 112 N -2.40 0.96 0.05 1.61 0.04 -1.26 -4.64 135.00 129.36 3cd6 s PRO 112 Ca 0.00 0.76 0.01 0.00 0.04 0.00 0.00 61.00 61.81 3cd6 s PRO 112 Cb 0.00 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 3cd6 s PRO 112 CO 0.00 -2.43 -0.06 0.42 0.04 0.00 0.00 177.00 174.97 3cd6 s ILE 113 N -2.92 0.43 0.24 0.56 1.01 -0.83 -4.84 121.20 114.85 3cd6 s ILE 113 Ca 0.64 -1.43 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 3cd6 s ILE 113 Cb -0.18 -1.02 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 3cd6 s ILE 113 CO 0.57 -0.67 0.82 0.00 0.00 0.00 0.00 174.94 175.67 3cd6 s ALA 114 N -2.53 3.35 0.53 9.38 0.00 -1.24 -0.46 121.76 130.79 3cd6 s ALA 114 Ca -0.02 0.36 0.27 0.00 0.00 0.00 0.00 51.96 52.56 3cd6 s ALA 114 Cb -0.02 -2.99 1.62 0.00 0.00 0.00 0.00 23.12 21.72 3cd6 s ALA 114 CO -0.03 0.26 2.18 0.07 0.00 0.00 0.00 175.76 178.24 3cd6 h ARG 115 N 3.62 0.00 -0.15 0.00 0.11 -1.08 -2.54 114.38 114.34 3cd6 h ARG 115 Ca -0.47 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.45 3cd6 h ARG 115 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 3cd6 h ARG 115 CO 0.65 0.05 -0.59 0.93 0.10 0.00 0.00 179.97 181.11 3cd6 h GLU 116 N 0.00 0.48 -0.01 0.08 3.07 -1.85 -2.67 114.58 113.67 3cd6 h GLU 116 Ca -0.00 -0.32 -0.12 0.00 -0.50 0.00 0.00 59.36 58.42 3cd6 h GLU 116 Cb 0.11 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3cd6 h GLU 116 CO 0.01 0.93 -0.55 0.28 -1.40 0.00 0.00 179.01 178.27 3cd6 h VAL 117 N 0.36 1.40 -0.41 3.13 2.07 -1.79 -2.99 116.25 118.01 3cd6 h VAL 117 Ca -0.00 -1.90 -0.12 0.00 0.82 0.00 0.00 66.70 65.50 3cd6 h VAL 117 Cb 1.13 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3cd6 h VAL 117 CO 0.11 0.54 -0.22 0.00 0.02 0.00 0.00 177.57 178.02 3cd6 h ALA 118 N 1.42 0.58 -0.74 1.67 0.00 -1.42 -1.42 119.26 119.36 3cd6 h ALA 118 Ca -0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3cd6 h ALA 118 Cb 0.99 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3cd6 h ALA 118 CO 0.07 0.56 0.27 0.37 0.00 0.00 0.00 179.25 180.53 3cd6 h GLN 119 N 0.69 1.12 0.09 0.00 4.15 -1.34 -3.28 115.11 116.55 3cd6 h GLN 119 Ca 0.09 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 3cd6 h GLN 119 Cb 0.79 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.30 3cd6 h GLN 119 CO 0.06 0.93 -0.04 -0.09 -1.93 0.00 0.00 178.83 177.76 3cd6 h ARG 120 N 1.09 -0.11 -3.79 1.69 2.43 -1.48 -3.41 114.38 110.81 3cd6 h ARG 120 Ca 0.25 0.01 -0.72 0.00 -0.81 0.00 0.00 59.98 58.70 3cd6 h ARG 120 Cb 0.24 0.03 -0.32 0.00 -0.42 0.00 0.00 29.97 29.50 3cd6 h ARG 120 CO -0.02 0.35 -0.26 -0.06 -1.51 0.00 0.00 179.97 178.48 3cd6 s PHE 121 N -2.62 3.51 0.22 2.20 0.40 -0.54 -4.97 117.98 116.18 3cd6 s PHE 121 Ca -0.11 -2.40 -0.09 0.00 -0.60 0.00 0.00 56.93 53.73 3cd6 s PHE 121 Cb -0.01 -3.40 0.20 0.00 0.51 0.00 0.00 43.02 40.32 3cd6 s PHE 121 CO 0.40 -0.91 1.90 0.78 0.70 0.00 0.00 175.22 178.09 3cd6 h GLY 122 N 7.46 1.19 2.00 4.36 0.00 -1.80 -2.48 103.07 113.79 3cd6 h GLY 122 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3cd6 h GLY 122 CO 0.74 0.42 0.00 1.48 0.00 0.00 0.00 176.54 179.19 3cd6 h SER 123 N 1.13 0.00 0.54 0.19 4.64 -1.90 -1.71 113.55 116.45 3cd6 h SER 123 Ca 0.31 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.34 3cd6 h SER 123 Cb -0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3cd6 h SER 123 CO -0.07 0.00 -1.45 0.58 -0.87 0.00 0.00 176.83 175.02 3cd6 h VAL 124 N 0.00 1.24 0.20 0.95 2.07 -1.77 -3.36 116.25 115.58 3cd6 h VAL 124 Ca 0.00 -2.90 -0.01 0.00 0.82 0.00 0.00 66.70 64.61 3cd6 h VAL 124 Cb 0.50 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3cd6 h VAL 124 CO 0.00 0.82 -0.09 0.00 0.02 0.00 0.00 177.57 178.32 3cd6 h ALA 125 N 0.60 -0.26 -0.11 1.67 0.00 -0.96 -2.97 119.26 117.22 3cd6 h ALA 125 Ca -0.20 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.27 3cd6 h ALA 125 Cb 1.98 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.79 3cd6 h ALA 125 CO 0.16 -0.54 0.13 -1.13 0.00 0.00 0.00 179.25 177.87 3cd6 n SER 126 N -5.11 5.79 0.00 0.00 3.41 -0.70 -1.28 113.62 115.74 3cd6 n SER 126 Ca -0.09 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 3cd6 n SER 126 Cb 0.20 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 3cd6 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cd6 n ALA 127 N 2.27 0.00 -2.11 7.33 0.00 -1.18 -4.95 120.51 121.87 3cd6 n ALA 127 Ca 0.47 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.54 3cd6 n ALA 127 Cb 0.79 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.18 3cd6 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cd6 s ALA 128 N 0.00 3.47 -0.15 0.00 0.00 -0.40 -3.77 121.76 120.92 3cd6 s ALA 128 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 3cd6 s ALA 128 Cb 0.00 -2.81 -0.12 0.00 0.00 0.00 0.00 23.12 20.19 3cd6 s ALA 128 CO 0.00 0.34 0.18 1.15 0.00 0.00 0.00 175.76 177.43 3cd6 h THR 129 N 3.10 0.64 -3.35 0.00 2.02 -1.86 -3.46 112.91 110.00 3cd6 h THR 129 Ca -0.48 -1.61 -0.65 0.00 0.77 0.00 0.00 66.41 64.44 3cd6 h THR 129 Cb 1.20 1.34 -0.26 0.00 -1.74 0.00 0.00 68.15 68.69 3cd6 h THR 129 CO 0.65 0.22 -0.75 -0.04 0.37 0.00 0.00 175.52 175.97 3cd6 s MET 130 N -2.10 3.39 -0.20 6.66 -1.94 -1.26 -5.10 119.30 118.75 3cd6 s MET 130 Ca -0.16 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 3cd6 s MET 130 Cb 0.01 -2.66 0.05 0.00 2.01 0.00 0.00 34.83 34.24 3cd6 s MET 130 CO 0.37 0.24 -0.07 0.42 -0.01 0.00 0.00 175.02 175.97 3cd6 s ILE 131 N 0.30 1.44 -1.83 2.53 1.01 -1.26 -1.97 121.20 121.41 3cd6 s ILE 131 Ca -0.09 -0.98 0.15 0.00 0.00 0.00 0.00 60.65 59.72 3cd6 s ILE 131 Cb -0.15 -1.62 0.12 0.00 0.01 0.00 0.00 42.46 40.81 3cd6 s ILE 131 CO 0.05 0.05 0.96 0.52 0.00 0.00 0.00 174.94 176.52