#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h64 s GLU 7 N 0.00 3.34 0.43 0.00 2.12 -1.26 -5.12 118.70 118.21 2h64 s GLU 7 Ca 0.00 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 54.95 2h64 s GLU 7 Cb 0.00 -2.87 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 2h64 s GLU 7 CO 0.00 0.47 0.36 0.95 -0.54 0.00 0.00 175.26 176.51 2h64 s THR 8 N -0.25 2.55 -0.20 -1.70 -4.23 -1.26 -4.85 115.64 105.70 2h64 s THR 8 Ca 0.05 -1.38 -0.27 0.00 -1.18 0.00 0.00 61.69 58.91 2h64 s THR 8 Cb -0.12 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.86 2h64 s THR 8 CO 0.02 0.00 0.78 -0.13 -0.54 0.00 0.00 174.62 174.75 2h64 s ARG 9 N -4.12 0.84 -0.01 3.99 1.81 -1.26 -4.99 118.95 115.21 2h64 s ARG 9 Ca 0.47 0.66 0.02 0.00 -1.72 0.00 0.00 55.73 55.15 2h64 s ARG 9 Cb -0.02 0.40 -0.00 0.00 -0.45 0.00 0.00 34.95 34.88 2h64 s ARG 9 CO 0.27 -0.17 -0.06 -1.21 -0.68 0.00 0.00 175.30 173.45 2h64 s GLU 10 N -0.22 0.50 0.19 3.54 2.02 -1.26 -0.81 118.70 122.66 2h64 s GLU 10 Ca -0.03 -0.20 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2h64 s GLU 10 Cb -0.03 -0.49 -0.05 0.00 0.10 0.00 0.00 34.13 33.66 2h64 s GLU 10 CO 0.03 0.11 0.04 0.00 0.02 0.00 0.00 175.26 175.46 2h64 s ILE 12 N -3.77 4.91 -0.09 0.00 -1.09 -1.26 -1.44 121.20 118.46 2h64 s ILE 12 Ca 0.29 1.68 -0.02 0.00 -2.23 0.00 0.00 60.65 60.36 2h64 s ILE 12 Cb 0.07 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 2h64 s ILE 12 CO 0.07 0.25 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.55 2h64 s TYR 13 N 0.64 3.13 -0.16 3.97 5.04 0.08 -2.52 117.35 127.54 2h64 s TYR 13 Ca 0.42 0.14 -0.20 0.00 -2.44 0.00 0.00 57.07 54.99 2h64 s TYR 13 Cb -0.19 -1.80 0.05 0.00 0.35 0.00 0.00 41.96 40.37 2h64 s TYR 13 CO 0.22 0.42 0.54 -0.47 -1.34 0.00 0.00 175.55 174.92 2h64 s TYR 14 N -0.77 -0.56 -0.23 4.97 5.04 -0.74 -1.82 117.35 123.24 2h64 s TYR 14 Ca 0.12 1.28 -0.03 0.00 -2.44 0.00 0.00 57.07 55.99 2h64 s TYR 14 Cb -0.11 0.23 0.10 0.00 0.35 0.00 0.00 41.96 42.52 2h64 s TYR 14 CO 0.02 -0.35 0.21 1.21 -1.34 0.00 0.00 175.55 175.30 2h64 s ASN 15 N -0.14 1.75 0.39 4.32 3.04 -0.94 -1.73 114.94 121.64 2h64 s ASN 15 Ca -0.03 -0.47 0.07 0.00 0.04 0.00 0.00 52.86 52.46 2h64 s ASN 15 Cb -0.03 0.27 0.80 0.00 -1.54 0.00 0.00 41.25 40.75 2h64 s ASN 15 CO 0.03 -0.35 1.99 0.00 -3.04 0.00 0.00 177.10 175.73 2h64 h ALA 16 N 8.32 1.60 -1.21 1.71 0.00 -1.45 -2.82 119.26 125.41 2h64 h ALA 16 Ca -0.16 -0.10 -0.74 0.00 0.00 0.00 0.00 54.91 53.90 2h64 h ALA 16 Cb 1.12 -0.14 -0.30 0.00 0.00 0.00 0.00 17.79 18.47 2h64 h ALA 16 CO 0.31 0.31 0.69 -1.71 0.00 0.00 0.00 179.25 178.85 2h64 n ASN 17 N -4.39 6.89 0.17 0.00 5.15 -1.26 -4.69 115.26 117.13 2h64 n ASN 17 Ca 0.02 -3.78 0.14 0.00 -0.60 0.00 0.00 54.58 50.35 2h64 n ASN 17 Cb 0.15 -0.97 0.52 0.00 -0.53 0.00 0.00 39.78 38.95 2h64 n ASN 17 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 2h64 h TRP 18 N 3.20 0.00 0.00 1.20 5.08 -1.78 -3.20 115.95 120.45 2h64 h TRP 18 Ca 0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.47 2h64 h TRP 18 Cb 0.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.41 2h64 h TRP 18 CO 1.14 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 178.69 2h64 n GLU 19 N -2.52 0.00 -0.34 0.12 -0.58 -1.26 -1.26 120.64 114.80 2h64 n GLU 19 Ca 0.02 0.18 0.05 0.00 -0.42 0.00 0.00 57.16 56.99 2h64 n GLU 19 Cb 0.29 -1.07 0.22 0.00 -0.57 0.00 0.00 31.44 30.31 2h64 n GLU 19 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2h64 h LEU 20 N 0.00 0.96 -0.27 -4.62 3.38 -1.98 0.93 115.31 113.70 2h64 h LEU 20 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2h64 h LEU 20 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2h64 h LEU 20 CO 0.00 0.58 0.00 -0.62 0.09 0.00 0.00 178.44 178.49 2h64 n GLU 21 N -4.53 0.12 -3.51 1.13 1.02 -1.21 -4.92 120.64 108.74 2h64 n GLU 21 Ca 0.16 0.28 -0.23 0.00 -0.02 0.00 0.00 57.16 57.35 2h64 n GLU 21 Cb 0.25 -1.69 0.05 0.00 -0.02 0.00 0.00 31.44 30.03 2h64 n GLU 21 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2h64 n ARG 22 N -1.90 -2.41 -4.32 3.49 1.74 0.32 -5.02 116.66 108.55 2h64 n ARG 22 Ca 0.04 0.66 -0.19 0.00 -0.77 0.00 0.00 57.85 57.59 2h64 n ARG 22 Cb 0.26 -5.03 -0.09 0.00 -1.02 0.00 0.00 32.46 26.58 2h64 n ARG 22 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2h64 s THR 23 N -3.47 0.19 0.81 0.55 -4.23 -0.39 -5.04 115.64 104.06 2h64 s THR 23 Ca 0.38 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 2h64 s THR 23 Cb -0.09 -2.48 0.08 0.00 1.34 0.00 0.00 72.50 71.34 2h64 s THR 23 CO 0.80 0.00 1.09 0.20 -0.54 0.00 0.00 174.62 176.17 2h64 s ASN 24 N -3.37 4.25 0.08 3.99 0.01 -1.26 -4.63 114.94 114.01 2h64 s ASN 24 Ca 0.37 1.68 0.18 0.00 -0.71 0.00 0.00 52.86 54.38 2h64 s ASN 24 Cb 0.04 -2.39 -0.12 0.00 0.41 0.00 0.00 41.25 39.19 2h64 s ASN 24 CO 0.20 -2.17 0.82 1.67 -1.51 0.00 0.00 177.10 176.11 2h64 n GLN 25 N -3.60 0.62 -3.76 -0.60 7.27 -1.26 -4.43 117.38 111.62 2h64 n GLN 25 Ca 0.08 0.17 -0.10 0.00 0.07 0.00 0.00 57.00 57.23 2h64 n GLN 25 Cb 0.54 -1.79 -0.05 0.00 2.41 0.00 0.00 30.24 31.35 2h64 n GLN 25 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2h64 s SER 26 N -5.62 -0.13 0.00 1.69 0.15 -1.26 -2.21 113.70 106.32 2h64 s SER 26 Ca -0.03 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2h64 s SER 26 Cb 0.09 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2h64 s SER 26 CO 0.81 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2h64 n GLY 27 N -0.22 -0.32 3.37 9.45 0.00 -0.76 -4.95 105.19 111.76 2h64 n GLY 27 Ca -0.13 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 2h64 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h64 s LEU 28 N 0.00 2.46 -0.05 0.99 1.43 -1.26 -0.74 118.68 121.51 2h64 s LEU 28 Ca 0.00 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 51.95 2h64 s LEU 28 Cb 0.00 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.69 2h64 s LEU 28 CO 0.00 -0.32 0.12 -0.70 0.23 0.00 0.00 176.35 175.68 2h64 s GLU 29 N -3.73 0.08 -0.30 1.70 2.12 -0.52 -4.73 118.70 113.33 2h64 s GLU 29 Ca 0.26 0.29 -0.16 0.00 0.36 0.00 0.00 54.97 55.72 2h64 s GLU 29 Cb 0.03 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 2h64 s GLU 29 CO 0.09 -0.13 0.40 1.03 -0.54 0.00 0.00 175.26 176.11 2h64 s ARG 30 N 0.89 3.87 0.52 4.30 0.52 -1.26 -0.78 118.95 127.00 2h64 s ARG 30 Ca -0.07 -0.05 -0.18 0.00 -0.52 0.00 0.00 55.73 54.90 2h64 s ARG 30 Cb -0.09 -3.71 -0.07 0.00 0.52 0.00 0.00 34.95 31.60 2h64 s ARG 30 CO -0.04 -0.39 1.03 0.00 0.02 0.00 0.00 175.30 175.92 2h64 s GLU 32 N -3.59 1.36 0.19 0.00 2.02 -1.26 -4.40 118.70 113.02 2h64 s GLU 32 Ca 0.65 -0.37 0.08 0.00 0.02 0.00 0.00 54.97 55.35 2h64 s GLU 32 Cb -0.15 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 2h64 s GLU 32 CO 0.26 -0.37 -0.16 0.20 0.02 0.00 0.00 175.26 175.20 2h64 s GLY 33 N 1.70 1.45 1.08 -1.39 0.00 -1.26 -5.05 107.32 103.85 2h64 s GLY 33 Ca 0.02 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 42.97 2h64 s GLY 33 CO -0.08 -1.69 1.17 -0.54 0.00 0.00 0.00 173.10 171.96 2h64 s GLU 34 N -3.29 -0.27 0.14 2.90 2.02 -1.26 -4.91 118.70 114.02 2h64 s GLU 34 Ca 0.20 -0.06 -0.35 0.00 0.02 0.00 0.00 54.97 54.78 2h64 s GLU 34 Cb -0.03 -1.71 -0.15 0.00 0.10 0.00 0.00 34.13 32.34 2h64 s GLU 34 CO 0.07 -3.08 1.38 1.04 0.02 0.00 0.00 175.26 174.70 2h64 n GLN 35 N -4.32 1.52 -1.74 1.61 1.13 -1.26 -2.14 117.38 112.18 2h64 n GLN 35 Ca 0.12 0.55 -0.11 0.00 -1.94 0.00 0.00 57.00 55.62 2h64 n GLN 35 Cb 0.59 -2.20 -0.03 0.00 0.11 0.00 0.00 30.24 28.71 2h64 n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2h64 n ASP 36 N 2.65 -3.10 -4.54 1.08 8.00 -1.26 -4.94 116.55 114.45 2h64 n ASP 36 Ca 0.17 0.25 -0.35 0.00 0.71 0.00 0.00 54.79 55.58 2h64 n ASP 36 Cb 0.24 -2.85 -0.11 0.00 -0.02 0.00 0.00 41.12 38.38 2h64 n ASP 36 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2h64 s LYS 37 N -3.71 3.79 0.85 -1.24 1.02 -0.91 -5.09 119.74 114.45 2h64 s LYS 37 Ca 0.00 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 55.43 2h64 s LYS 37 Cb 0.00 -3.11 0.11 0.00 -0.52 0.00 0.00 37.83 34.31 2h64 s LYS 37 CO 0.00 0.17 1.17 1.03 -0.92 0.00 0.00 175.35 176.81 2h64 s ARG 38 N 0.60 1.37 -0.03 1.68 0.52 -1.26 -4.65 118.95 117.19 2h64 s ARG 38 Ca 0.01 1.64 0.05 0.00 -0.52 0.00 0.00 55.73 56.90 2h64 s ARG 38 Cb -0.14 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.57 2h64 s ARG 38 CO 0.02 -2.39 -0.16 -0.51 0.02 0.00 0.00 175.30 172.28 2h64 s LEU 39 N -6.13 1.96 0.41 2.53 1.43 -1.26 -2.64 118.68 114.98 2h64 s LEU 39 Ca 0.70 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 2h64 s LEU 39 Cb -0.25 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 2h64 s LEU 39 CO 0.54 0.17 0.14 -1.00 0.23 0.00 0.00 176.35 176.43 2h64 s HIS 40 N -0.16 1.78 0.18 0.29 3.76 -0.44 -4.57 115.29 116.13 2h64 s HIS 40 Ca 0.01 -1.32 0.07 0.00 -0.15 0.00 0.00 55.06 53.67 2h64 s HIS 40 Cb -0.09 -1.14 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 2h64 s HIS 40 CO 0.01 -0.34 -0.14 0.00 -0.85 0.00 0.00 174.74 173.41 2h64 s TYR 42 N -2.83 0.54 -0.01 0.00 1.13 -0.30 -1.06 117.35 114.82 2h64 s TYR 42 Ca 0.19 -0.89 -0.11 0.00 -1.41 0.00 0.00 57.07 54.85 2h64 s TYR 42 Cb -0.01 -0.13 0.01 0.00 -1.10 0.00 0.00 41.96 40.73 2h64 s TYR 42 CO 0.05 -0.73 0.23 0.00 -2.51 0.00 0.00 175.55 172.60 2h64 s ALA 43 N -4.01 -0.58 -0.09 9.51 0.00 -0.14 -2.32 121.76 124.13 2h64 s ALA 43 Ca 0.22 0.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2h64 s ALA 43 Cb 0.04 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2h64 s ALA 43 CO 0.03 -0.23 0.26 -1.54 0.00 0.00 0.00 175.76 174.28 2h64 s SER 44 N -1.25 -0.25 0.29 0.00 1.04 0.17 -1.42 113.70 112.29 2h64 s SER 44 Ca -0.13 0.46 -0.14 0.00 0.48 0.00 0.00 55.95 56.62 2h64 s SER 44 Cb -0.06 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.57 2h64 s SER 44 CO 0.03 -0.13 0.59 -1.66 0.98 0.00 0.00 173.24 173.05 2h64 s TRP 45 N -0.03 0.28 0.15 5.02 -2.14 -0.92 -1.01 118.94 120.29 2h64 s TRP 45 Ca -0.02 -0.71 0.11 0.00 2.66 0.00 0.00 56.10 58.15 2h64 s TRP 45 Cb -0.02 0.39 -0.04 0.00 -3.10 0.00 0.00 33.47 30.70 2h64 s TRP 45 CO 0.01 -1.18 -0.24 1.03 -2.66 0.00 0.00 176.95 173.91 2h64 s ARG 46 N -3.56 1.51 -0.57 3.25 0.52 0.58 -0.32 118.95 120.36 2h64 s ARG 46 Ca 0.20 -1.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 2h64 s ARG 46 Cb -0.03 -1.92 0.14 0.00 0.52 0.00 0.00 34.95 33.67 2h64 s ARG 46 CO 0.11 0.44 0.34 1.21 0.02 0.00 0.00 175.30 177.41 2h64 s ASN 47 N -2.30 4.63 -1.06 0.23 3.04 -1.26 -0.40 114.94 117.82 2h64 s ASN 47 Ca 0.17 -3.08 -0.15 0.00 0.04 0.00 0.00 52.86 49.84 2h64 s ASN 47 Cb -0.09 -1.70 -0.08 0.00 -1.54 0.00 0.00 41.25 37.84 2h64 s ASN 47 CO 0.08 -0.25 2.15 -0.24 -3.04 0.00 0.00 177.10 175.81 2h64 n SER 48 N 3.07 4.08 -3.25 -4.21 2.88 0.86 -4.53 113.62 112.52 2h64 n SER 48 Ca 0.07 -2.62 -0.25 0.00 -1.33 0.00 0.00 58.87 54.75 2h64 n SER 48 Cb 0.34 -1.28 0.03 0.00 -0.75 0.00 0.00 64.21 62.54 2h64 n SER 48 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2h64 n SER 49 N 5.95 -6.44 0.00 -3.46 7.64 -1.26 -3.26 113.62 112.79 2h64 n SER 49 Ca 0.52 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2h64 n SER 49 Cb 0.32 -2.91 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 2h64 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h64 n GLY 50 N -0.03 2.32 3.74 0.23 0.00 -1.26 -4.99 105.19 105.19 2h64 n GLY 50 Ca -0.01 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2h64 n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2h64 s THR 51 N 0.00 3.90 -0.21 2.61 -1.32 -1.20 -5.03 115.64 114.39 2h64 s THR 51 Ca 0.00 1.62 -0.07 0.00 -1.21 0.00 0.00 61.69 62.03 2h64 s THR 51 Cb 0.00 -4.04 -0.04 0.00 -1.51 0.00 0.00 72.50 66.92 2h64 s THR 51 CO 0.00 0.27 0.07 -0.63 -2.21 0.00 0.00 174.62 172.12 2h64 s ILE 52 N -0.18 4.61 -0.39 5.08 1.01 -1.26 -0.10 121.20 129.97 2h64 s ILE 52 Ca 0.50 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 2h64 s ILE 52 Cb -0.29 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.09 2h64 s ILE 52 CO 0.34 0.40 0.24 -1.61 0.00 0.00 0.00 174.94 174.32 2h64 s GLU 53 N 0.90 2.88 0.06 2.79 2.02 0.47 -4.95 118.70 122.86 2h64 s GLU 53 Ca 0.04 -1.06 -0.31 0.00 0.02 0.00 0.00 54.97 53.66 2h64 s GLU 53 Cb -0.14 -3.82 -0.07 0.00 0.10 0.00 0.00 34.13 30.21 2h64 s GLU 53 CO 0.03 -0.72 1.35 -1.17 0.02 0.00 0.00 175.26 174.77 2h64 s LEU 54 N 1.60 4.35 -0.21 1.80 0.20 -1.26 -0.31 118.68 124.85 2h64 s LEU 54 Ca 0.03 2.18 -0.17 0.00 0.69 0.00 0.00 54.13 56.87 2h64 s LEU 54 Cb -0.19 -3.58 -0.08 0.00 -0.43 0.00 0.00 46.19 41.92 2h64 s LEU 54 CO 0.08 -0.64 -0.35 0.52 -0.29 0.00 0.00 176.35 175.67 2h64 n VAL 55 N 4.20 1.50 -3.55 1.68 0.31 -0.18 -4.57 118.33 117.71 2h64 n VAL 55 Ca 0.11 -0.02 -0.15 0.00 -0.01 0.00 0.00 64.34 64.28 2h64 n VAL 55 Cb 0.44 -2.20 -0.05 0.00 -0.91 0.00 0.00 33.84 31.12 2h64 n VAL 55 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2h64 s LYS 56 N -2.78 1.05 -0.03 5.55 1.02 -0.97 -1.31 119.74 122.27 2h64 s LYS 56 Ca -0.32 -0.14 -0.09 0.00 0.02 0.00 0.00 55.97 55.44 2h64 s LYS 56 Cb 0.07 0.48 0.01 0.00 -0.52 0.00 0.00 37.83 37.88 2h64 s LYS 56 CO 0.44 -0.37 0.21 0.15 -0.92 0.00 0.00 175.35 174.86 2h64 s LYS 57 N -2.23 0.45 0.00 1.68 1.02 -0.70 -0.65 119.74 119.31 2h64 s LYS 57 Ca -0.06 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.83 2h64 s LYS 57 Cb -0.01 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 2h64 s LYS 57 CO 0.00 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2h64 n GLY 58 N 1.93 -0.69 3.84 -3.33 0.00 -0.98 -1.79 105.19 104.17 2h64 n GLY 58 Ca -0.19 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2h64 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h64 s TRP 60 N -2.79 -0.26 0.54 0.00 -0.11 -0.37 -4.73 118.94 111.23 2h64 s TRP 60 Ca 0.59 0.64 -0.17 0.00 1.22 0.00 0.00 56.10 58.38 2h64 s TRP 60 Cb -0.12 0.04 -0.06 0.00 -1.50 0.00 0.00 33.47 31.83 2h64 s TRP 60 CO 0.42 -0.17 1.02 -0.51 -4.62 0.00 0.00 176.95 173.08 2h64 s LEU 61 N 0.72 3.60 -0.13 5.86 1.43 -1.26 -1.33 118.68 127.56 2h64 s LEU 61 Ca -0.05 1.69 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 2h64 s LEU 61 Cb -0.06 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 2h64 s LEU 61 CO -0.04 -0.82 0.45 -0.67 0.23 0.00 0.00 176.35 175.50 2h64 n ASP 62 N -1.69 0.30 -3.67 2.29 -0.08 -1.08 -4.80 116.55 107.82 2h64 n ASP 62 Ca 0.08 0.29 -0.12 0.00 -1.51 0.00 0.00 54.79 53.53 2h64 n ASP 62 Cb 0.53 -0.23 -0.12 0.00 2.34 0.00 0.00 41.12 43.64 2h64 n ASP 62 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2h64 s ASP 63 N 0.92 0.05 0.40 1.67 -1.08 -1.26 -5.03 116.67 112.35 2h64 s ASP 63 Ca 0.28 0.72 0.19 0.00 -0.52 0.00 0.00 52.55 53.22 2h64 s ASP 63 Cb -0.40 0.85 1.11 0.00 -1.46 0.00 0.00 42.92 43.02 2h64 s ASP 63 CO 0.21 -0.23 1.78 0.15 0.52 0.00 0.00 175.17 177.61 2h64 h PHE 64 N 8.05 0.62 0.00 -5.34 3.04 -2.00 0.75 116.94 122.07 2h64 h PHE 64 Ca -0.19 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.78 2h64 h PHE 64 Cb 1.12 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.45 2h64 h PHE 64 CO 0.34 0.07 0.00 0.09 -2.02 0.00 0.00 178.31 176.79 2h64 n ASN 65 N -4.60 0.00 -0.02 0.41 4.13 -1.26 -2.56 115.26 111.36 2h64 n ASN 65 Ca 0.24 -0.13 0.03 0.00 1.68 0.00 0.00 54.58 56.41 2h64 n ASN 65 Cb 0.86 -0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.87 2h64 n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h64 n TYR 67 N -1.04 1.80 -3.23 0.00 4.01 -1.06 -3.01 117.16 114.63 2h64 n TYR 67 Ca 0.01 0.58 -0.21 0.00 -0.16 0.00 0.00 57.90 58.13 2h64 n TYR 67 Cb 0.11 -2.36 -0.01 0.00 -0.31 0.00 0.00 39.34 36.77 2h64 n TYR 67 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2h64 n ASP 68 N 1.49 -3.31 -4.21 7.72 10.43 -1.26 -4.93 116.55 122.48 2h64 n ASP 68 Ca 0.10 -0.28 -0.36 0.00 2.57 0.00 0.00 54.79 56.82 2h64 n ASP 68 Cb 0.32 -2.77 -0.13 0.00 1.84 0.00 0.00 41.12 40.37 2h64 n ASP 68 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2h64 s ARG 69 N -5.86 2.49 0.41 -1.24 0.52 -1.16 -4.95 118.95 109.16 2h64 s ARG 69 Ca 0.33 -1.25 0.22 0.00 -0.52 0.00 0.00 55.73 54.52 2h64 s ARG 69 Cb -0.18 -3.29 0.37 0.00 0.52 0.00 0.00 34.95 32.37 2h64 s ARG 69 CO 0.41 -0.65 1.60 1.96 0.02 0.00 0.00 175.30 178.65 2h64 h GLN 70 N 8.08 0.00 -6.42 3.54 1.08 -1.91 0.34 115.11 119.82 2h64 h GLN 70 Ca -0.22 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.36 2h64 h GLN 70 Cb 1.07 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.36 2h64 h GLN 70 CO 0.56 0.14 -0.72 -1.21 -0.95 0.00 0.00 178.83 176.66 2h64 s GLU 71 N -3.20 2.08 -0.36 1.46 0.41 -1.26 -4.79 118.70 113.05 2h64 s GLU 71 Ca 0.05 -1.28 -0.15 0.00 -0.41 0.00 0.00 54.97 53.19 2h64 s GLU 71 Cb 0.06 -2.16 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 2h64 s GLU 71 CO 0.68 0.43 0.34 0.00 -0.49 0.00 0.00 175.26 176.22 2h64 s VAL 73 N 1.93 0.75 -0.32 0.00 1.01 -1.26 -2.52 120.40 119.99 2h64 s VAL 73 Ca 0.10 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 2h64 s VAL 73 Cb -0.17 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.46 2h64 s VAL 73 CO 0.11 0.29 0.89 0.00 0.00 0.00 0.00 175.10 176.39 2h64 s ALA 74 N 1.14 3.50 -0.13 5.51 0.00 -0.45 -4.64 121.76 126.68 2h64 s ALA 74 Ca -0.07 -0.33 0.20 0.00 0.00 0.00 0.00 51.96 51.75 2h64 s ALA 74 Cb -0.14 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.35 2h64 s ALA 74 CO -0.01 -1.35 0.66 0.25 0.00 0.00 0.00 175.76 175.31 2h64 n THR 75 N 5.70 0.75 -1.69 0.00 -2.24 -1.26 -2.03 114.28 113.51 2h64 n THR 75 Ca 0.07 -0.63 -0.44 0.00 -2.27 0.00 0.00 64.05 60.77 2h64 n THR 75 Cb 0.48 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 2h64 n THR 75 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h64 n GLU 76 N -2.64 2.36 0.00 -0.78 4.71 -1.26 -4.17 120.64 118.86 2h64 n GLU 76 Ca -0.09 0.85 0.00 0.00 -0.01 0.00 0.00 57.16 57.91 2h64 n GLU 76 Cb 0.74 -2.64 0.00 0.00 -1.01 0.00 0.00 31.44 28.54 2h64 n GLU 76 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2h64 n GLU 77 N 3.45 0.00 -3.31 3.49 2.13 -1.26 -4.41 120.64 120.73 2h64 n GLU 77 Ca 0.16 0.59 -0.25 0.00 0.66 0.00 0.00 57.16 58.32 2h64 n GLU 77 Cb 0.31 -1.20 -0.09 0.00 0.27 0.00 0.00 31.44 30.74 2h64 n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2h64 n ASN 78 N -1.65 -0.57 -4.91 4.31 2.85 -1.26 -4.76 115.26 109.27 2h64 n ASN 78 Ca 0.00 -2.47 -0.27 0.00 -0.11 0.00 0.00 54.58 51.72 2h64 n ASN 78 Cb 0.00 -0.41 0.05 0.00 1.24 0.00 0.00 39.78 40.66 2h64 n ASN 78 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2h64 s PRO 79 N -0.12 2.66 0.14 1.20 0.04 -1.26 -4.99 135.00 132.66 2h64 s PRO 79 Ca 0.33 0.01 -0.05 0.00 0.04 0.00 0.00 61.00 61.33 2h64 s PRO 79 Cb 0.07 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2h64 s PRO 79 CO -0.18 -0.95 1.34 1.96 0.04 0.00 0.00 177.00 179.21 2h64 h GLN 80 N -0.42 0.49 -4.35 4.56 4.20 -2.00 -3.43 115.11 114.16 2h64 h GLN 80 Ca -0.45 -0.46 -0.53 0.00 0.06 0.00 0.00 58.65 57.27 2h64 h GLN 80 Cb 1.28 0.11 -0.36 0.00 0.30 0.00 0.00 27.48 28.81 2h64 h GLN 80 CO 0.61 1.10 -0.81 0.08 -0.67 0.00 0.00 178.83 179.14 2h64 s VAL 81 N -3.47 1.11 0.53 -0.54 1.01 -1.26 -4.69 120.40 113.09 2h64 s VAL 81 Ca -0.07 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 2h64 s VAL 81 Cb 0.09 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 2h64 s VAL 81 CO 0.87 0.37 0.99 -0.31 0.00 0.00 0.00 175.10 177.02 2h64 s TYR 82 N 1.42 3.49 -0.10 5.22 1.51 0.57 -4.91 117.35 124.54 2h64 s TYR 82 Ca -0.00 1.43 -0.25 0.00 -1.01 0.00 0.00 57.07 57.23 2h64 s TYR 82 Cb -0.13 -2.77 0.06 0.00 -0.11 0.00 0.00 41.96 39.00 2h64 s TYR 82 CO -0.05 -0.43 0.60 0.12 -1.11 0.00 0.00 175.55 174.68 2h64 s PHE 83 N -2.73 -0.58 -0.04 2.71 5.36 -1.26 -2.17 117.98 119.26 2h64 s PHE 83 Ca 0.58 1.14 -0.26 0.00 -0.96 0.00 0.00 56.93 57.43 2h64 s PHE 83 Cb -0.10 0.30 0.05 0.00 -0.34 0.00 0.00 43.02 42.94 2h64 s PHE 83 CO 0.36 -0.49 0.55 0.00 -1.46 0.00 0.00 175.22 174.18 2h64 s GLU 87 N -3.60 2.29 0.00 0.00 2.12 0.12 -1.77 118.70 117.87 2h64 s GLU 87 Ca 0.14 -2.90 0.00 0.00 0.36 0.00 0.00 54.97 52.57 2h64 s GLU 87 Cb -0.05 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.90 2h64 s GLU 87 CO 0.09 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.03 2h64 n GLY 88 N 2.72 1.72 3.67 -1.50 0.00 -1.26 -4.59 105.19 105.94 2h64 n GLY 88 Ca 0.11 -0.11 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 2h64 n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h64 n ASN 89 N 0.00 2.92 -0.88 1.61 3.02 -1.26 -0.74 115.26 119.93 2h64 n ASN 89 Ca 0.00 1.05 -0.11 0.00 -0.03 0.00 0.00 54.58 55.49 2h64 n ASN 89 Cb 0.00 -1.35 -0.05 0.00 -0.61 0.00 0.00 39.78 37.78 2h64 n ASN 89 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2h64 n PHE 90 N 4.51 -0.05 0.09 3.10 3.01 -0.10 -4.80 117.46 123.23 2h64 n PHE 90 Ca 0.20 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.71 2h64 n PHE 90 Cb 0.26 -2.67 0.29 0.00 -0.01 0.00 0.00 39.48 37.36 2h64 n PHE 90 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h64 n ASN 92 N -1.86 3.80 0.25 0.00 6.94 -1.26 -3.94 115.26 119.20 2h64 n ASN 92 Ca -0.01 -2.00 0.08 0.00 -0.02 0.00 0.00 54.58 52.64 2h64 n ASN 92 Cb 0.11 -0.44 0.63 0.00 -2.36 0.00 0.00 39.78 37.72 2h64 n ASN 92 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2h64 h GLU 93 N 4.30 0.00 -4.21 -3.83 4.81 -0.77 -3.42 114.58 111.46 2h64 h GLU 93 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 2h64 h GLU 93 Cb 0.98 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.12 2h64 h GLU 93 CO 0.00 0.05 -0.73 1.03 -0.73 0.00 0.00 179.01 178.64 2h64 s ARG 94 N -4.89 0.36 0.11 1.92 0.52 -1.26 -5.13 118.95 110.58 2h64 s ARG 94 Ca -0.05 -0.48 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 2h64 s ARG 94 Cb 0.16 -0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.45 2h64 s ARG 94 CO 0.66 0.03 0.12 -0.59 0.02 0.00 0.00 175.30 175.54 2h64 s PHE 95 N -0.92 0.54 0.18 -0.53 -0.12 -1.26 -4.29 117.98 111.58 2h64 s PHE 95 Ca -0.08 -0.96 -0.05 0.00 -0.05 0.00 0.00 56.93 55.79 2h64 s PHE 95 Cb -0.07 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 2h64 s PHE 95 CO -0.00 -0.54 0.21 0.95 -0.05 0.00 0.00 175.22 175.78 2h64 s THR 96 N -3.97 0.05 -0.13 -4.49 -4.23 -1.05 -5.05 115.64 96.77 2h64 s THR 96 Ca 0.15 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2h64 s THR 96 Cb 0.06 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2h64 s THR 96 CO -0.04 -0.21 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.45 2h64 s HIS 97 N -4.05 1.81 -0.24 3.99 5.04 -1.26 -1.34 115.29 119.23 2h64 s HIS 97 Ca 0.26 -0.97 -0.03 0.00 -1.54 0.00 0.00 55.06 52.78 2h64 s HIS 97 Cb 0.05 -1.41 0.12 0.00 0.04 0.00 0.00 32.58 31.39 2h64 s HIS 97 CO 0.05 -0.59 0.32 -0.48 -2.34 0.00 0.00 174.74 171.70 2h64 s LEU 98 N 1.60 -0.42 0.00 8.88 0.05 -0.86 -4.98 118.68 122.95 2h64 s LEU 98 Ca 0.05 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.16 2h64 s LEU 98 Cb -0.13 0.80 0.00 0.00 -2.05 0.00 0.00 46.19 44.82 2h64 s LEU 98 CO -0.09 -0.32 0.34 -2.65 -0.55 0.00 0.00 176.35 173.07