#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4y s GLU 6 N 0.00 1.19 0.05 -0.14 2.02 -1.26 -0.87 118.70 119.69 1s4y s GLU 6 Ca 0.00 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.08 1s4y s GLU 6 Cb 0.00 -1.31 -0.02 0.00 0.10 0.00 0.00 34.13 32.89 1s4y s GLU 6 CO 0.00 0.32 -0.12 0.00 0.02 0.00 0.00 175.26 175.48 1s4y n ILE 8 N 1.64 0.74 -4.74 0.00 2.08 -1.26 -1.00 119.36 116.81 1s4y n ILE 8 Ca -0.20 -0.19 -0.33 0.00 0.56 0.00 0.00 62.75 62.59 1s4y n ILE 8 Cb 0.55 -1.98 -0.13 0.00 -0.75 0.00 0.00 39.64 37.33 1s4y n ILE 8 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1s4y s TYR 9 N 0.32 2.82 -0.19 1.39 5.04 -0.23 -2.19 117.35 124.31 1s4y s TYR 9 Ca 0.67 -0.32 -0.16 0.00 -2.44 0.00 0.00 57.07 54.82 1s4y s TYR 9 Cb -0.50 -1.76 0.05 0.00 0.35 0.00 0.00 41.96 40.10 1s4y s TYR 9 CO 0.44 0.04 0.49 -0.47 -1.34 0.00 0.00 175.55 174.72 1s4y s TYR 10 N -0.22 -0.57 -0.30 4.97 6.14 0.02 -1.70 117.35 125.68 1s4y s TYR 10 Ca 0.02 1.36 -0.02 0.00 0.64 0.00 0.00 57.07 59.06 1s4y s TYR 10 Cb -0.13 0.22 0.12 0.00 0.42 0.00 0.00 41.96 42.58 1s4y s TYR 10 CO 0.03 -0.28 0.19 1.21 0.64 0.00 0.00 175.55 177.33 1s4y s ASN 11 N 0.47 2.96 0.51 4.32 2.47 0.50 -1.45 114.94 124.71 1s4y s ASN 11 Ca -0.02 -1.32 0.24 0.00 0.42 0.00 0.00 52.86 52.18 1s4y s ASN 11 Cb -0.04 -0.13 1.36 0.00 -1.45 0.00 0.00 41.25 40.99 1s4y s ASN 11 CO -0.02 -0.40 2.07 0.00 -3.72 0.00 0.00 177.10 175.03 1s4y h ALA 12 N 8.13 1.45 -0.96 1.71 0.00 -1.63 -2.31 119.26 125.64 1s4y h ALA 12 Ca -0.14 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 54.15 1s4y h ALA 12 Cb 1.02 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.50 1s4y h ALA 12 CO 0.38 0.15 0.65 -1.71 0.00 0.00 0.00 179.25 178.73 1s4y n ASN 13 N -3.88 4.04 -0.29 0.00 5.15 -1.26 -4.66 115.26 114.36 1s4y n ASN 13 Ca -0.02 -3.56 0.07 0.00 -0.60 0.00 0.00 54.58 50.47 1s4y n ASN 13 Cb 0.22 -0.84 0.29 0.00 -0.53 0.00 0.00 39.78 38.92 1s4y n ASN 13 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1s4y h TRP 14 N 1.04 0.97 0.38 1.20 5.08 -1.72 -1.77 115.95 121.13 1s4y h TRP 14 Ca 0.61 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.60 1s4y h TRP 14 Cb 2.63 -0.32 -0.01 0.00 -3.00 0.00 0.00 29.16 28.46 1s4y h TRP 14 CO 1.52 0.46 -0.31 0.93 -1.28 0.00 0.00 178.44 179.76 1s4y h GLU 15 N 0.91 -0.67 -0.21 0.12 5.08 -1.83 0.49 114.58 118.47 1s4y h GLU 15 Ca 0.41 0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.63 1s4y h GLU 15 Cb 0.37 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1s4y h GLU 15 CO -0.17 -0.45 -0.59 1.25 -1.00 0.00 0.00 179.01 178.06 1s4y h LEU 16 N -0.69 0.78 0.00 1.33 6.46 -1.91 -2.82 115.31 118.46 1s4y h LEU 16 Ca -0.03 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1s4y h LEU 16 Cb 0.60 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1s4y h LEU 16 CO -0.01 1.19 -0.17 -0.62 -0.62 0.00 0.00 178.44 178.21 1s4y n GLU 17 N -3.96 0.05 -3.39 1.25 1.02 -0.68 -4.95 120.64 109.98 1s4y n GLU 17 Ca -0.04 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 1s4y n GLU 17 Cb 0.64 -1.54 0.08 0.00 -0.02 0.00 0.00 31.44 30.59 1s4y n GLU 17 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s4y n ARG 18 N -1.62 -6.57 -3.83 3.49 1.74 0.16 -5.03 116.66 105.00 1s4y n ARG 18 Ca 0.06 0.77 -0.24 0.00 -0.77 0.00 0.00 57.85 57.68 1s4y n ARG 18 Cb 0.35 -5.60 -0.03 0.00 -1.02 0.00 0.00 32.46 26.16 1s4y n ARG 18 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1s4y n THR 19 N -4.24 0.00 -1.93 0.55 -2.24 -0.64 -5.04 114.28 100.75 1s4y n THR 19 Ca -0.16 -1.82 -0.31 0.00 -2.27 0.00 0.00 64.05 59.49 1s4y n THR 19 Cb 0.62 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.06 1s4y n THR 19 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1s4y s ASN 20 N -3.30 6.19 0.05 3.42 0.01 -1.26 -4.63 114.94 115.43 1s4y s ASN 20 Ca 0.08 1.48 0.06 0.00 -0.71 0.00 0.00 52.86 53.77 1s4y s ASN 20 Cb -0.01 -2.48 -0.23 0.00 0.41 0.00 0.00 41.25 38.94 1s4y s ASN 20 CO 0.05 -0.89 1.03 -0.61 -1.51 0.00 0.00 177.10 175.17 1s4y h GLN 21 N -0.14 0.06 -3.60 -0.60 4.15 -1.93 -3.41 115.11 109.64 1s4y h GLN 21 Ca -0.44 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 58.77 1s4y h GLN 21 Cb 1.19 0.04 -0.16 0.00 0.21 0.00 0.00 27.48 28.76 1s4y h GLN 21 CO 0.61 0.90 -0.35 -1.12 -1.93 0.00 0.00 178.83 176.95 1s4y s SER 22 N -6.63 0.03 0.00 -0.69 0.01 -1.26 -0.37 113.70 104.79 1s4y s SER 22 Ca -0.03 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1s4y s SER 22 Cb 0.09 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1s4y s SER 22 CO 0.83 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1s4y n GLY 23 N 0.37 -0.21 3.56 3.44 0.00 -0.69 -4.95 105.19 106.72 1s4y n GLY 23 Ca -0.17 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 1s4y n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4y s LEU 24 N 0.00 2.80 -0.06 0.99 1.43 -1.26 -1.07 118.68 121.51 1s4y s LEU 24 Ca 0.00 -1.08 -0.00 0.00 -1.03 0.00 0.00 54.13 52.02 1s4y s LEU 24 Cb 0.00 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 45.09 1s4y s LEU 24 CO 0.00 -0.15 -0.02 -0.70 0.23 0.00 0.00 176.35 175.71 1s4y s GLU 25 N -3.62 0.69 -0.08 1.70 2.12 -0.17 -4.65 118.70 114.68 1s4y s GLU 25 Ca 0.33 0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.37 1s4y s GLU 25 Cb -0.00 -0.88 -0.02 0.00 0.26 0.00 0.00 34.13 33.49 1s4y s GLU 25 CO 0.17 -0.19 0.97 -0.98 -0.54 0.00 0.00 175.26 174.69 1s4y s ARG 26 N 1.43 4.45 0.16 4.30 1.04 -1.26 -1.11 118.95 127.96 1s4y s ARG 26 Ca -0.03 1.34 -0.13 0.00 -1.04 0.00 0.00 55.73 55.87 1s4y s ARG 26 Cb -0.13 -3.52 -0.07 0.00 -2.04 0.00 0.00 34.95 29.19 1s4y s ARG 26 CO -0.03 -0.22 0.53 0.00 -0.04 0.00 0.00 175.30 175.54 1s4y s GLU 28 N -2.15 1.23 0.20 0.00 -1.05 -1.26 -4.46 118.70 111.21 1s4y s GLU 28 Ca 0.40 -1.05 -0.13 0.00 -0.15 0.00 0.00 54.97 54.03 1s4y s GLU 28 Cb -0.14 -1.43 0.01 0.00 -0.44 0.00 0.00 34.13 32.13 1s4y s GLU 28 CO 0.19 0.35 0.43 0.20 0.95 0.00 0.00 175.26 177.38 1s4y s GLY 29 N -1.56 0.30 0.40 -3.83 0.00 -1.26 -5.01 107.32 96.35 1s4y s GLY 29 Ca 0.07 -0.65 -0.23 0.00 0.00 0.00 0.00 44.72 43.90 1s4y s GLY 29 CO 0.03 -0.57 0.99 -0.54 0.00 0.00 0.00 173.10 173.01 1s4y s GLU 30 N -3.95 4.25 0.00 2.90 2.02 -1.26 -4.98 118.70 117.68 1s4y s GLU 30 Ca 0.16 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1s4y s GLU 30 Cb 0.01 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1s4y s GLU 30 CO 0.02 -0.03 0.00 1.04 0.02 0.00 0.00 175.26 176.31 1s4y n GLN 31 N -0.21 0.00 -0.69 1.61 6.02 -1.26 -2.92 117.38 119.93 1s4y n GLN 31 Ca 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.02 1s4y n GLN 31 Cb 0.52 0.00 0.23 0.00 1.02 0.00 0.00 30.24 32.01 1s4y n GLN 31 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1s4y n ASP 32 N -0.20 4.03 -4.28 1.08 8.00 -1.26 -4.96 116.55 118.97 1s4y n ASP 32 Ca 0.00 -2.79 -0.16 0.00 0.71 0.00 0.00 54.79 52.55 1s4y n ASP 32 Cb 0.00 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.34 1s4y n ASP 32 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1s4y s LYS 33 N -2.23 1.15 0.60 -1.24 -0.14 -1.15 -5.13 119.74 111.59 1s4y s LYS 33 Ca 0.38 -1.48 -0.12 0.00 -1.36 0.00 0.00 55.97 53.39 1s4y s LYS 33 Cb 0.30 -0.81 -0.05 0.00 -1.68 0.00 0.00 37.83 35.60 1s4y s LYS 33 CO 0.10 0.12 1.02 1.03 -0.76 0.00 0.00 175.35 176.86 1s4y s ARG 34 N -3.64 3.65 0.11 1.68 0.52 -1.26 -4.89 118.95 115.12 1s4y s ARG 34 Ca 0.18 0.80 0.10 0.00 -0.52 0.00 0.00 55.73 56.29 1s4y s ARG 34 Cb 0.01 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 1s4y s ARG 34 CO 0.03 -0.52 -0.25 -0.51 0.02 0.00 0.00 175.30 174.07 1s4y s LEU 35 N -4.95 2.29 0.05 2.53 1.43 -1.26 -2.96 118.68 115.81 1s4y s LEU 35 Ca 0.56 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1s4y s LEU 35 Cb -0.11 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1s4y s LEU 35 CO 0.49 0.15 0.05 -1.00 0.23 0.00 0.00 176.35 176.27 1s4y s HIS 36 N -1.05 0.33 0.29 0.29 3.76 -0.68 -4.42 115.29 113.82 1s4y s HIS 36 Ca 0.11 -0.77 0.08 0.00 -0.15 0.00 0.00 55.06 54.34 1s4y s HIS 36 Cb -0.10 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1s4y s HIS 36 CO 0.05 -0.39 0.14 0.00 -0.85 0.00 0.00 174.74 173.69 1s4y s TYR 38 N -2.29 1.12 0.10 0.00 -0.85 0.26 -1.54 117.35 114.15 1s4y s TYR 38 Ca 0.35 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 56.01 1s4y s TYR 38 Cb -0.06 -0.62 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 1s4y s TYR 38 CO 0.23 -0.12 -0.08 0.00 -1.52 0.00 0.00 175.55 174.06 1s4y s ALA 39 N -3.57 1.07 -0.07 9.51 0.00 0.87 -2.89 121.76 126.68 1s4y s ALA 39 Ca 0.18 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 1s4y s ALA 39 Cb 0.05 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1s4y s ALA 39 CO 0.00 -0.16 0.43 -1.54 0.00 0.00 0.00 175.76 174.49 1s4y s SER 40 N -2.86 -0.37 -0.01 0.00 1.04 0.00 -1.40 113.70 110.10 1s4y s SER 40 Ca 0.10 0.48 -0.29 0.00 0.48 0.00 0.00 55.95 56.72 1s4y s SER 40 Cb 0.02 0.56 0.10 0.00 0.10 0.00 0.00 66.02 66.80 1s4y s SER 40 CO -0.02 -0.38 0.88 -1.66 0.98 0.00 0.00 173.24 173.04 1s4y s TRP 41 N -0.78 -0.35 0.14 5.02 -2.14 -0.75 -1.15 118.94 118.93 1s4y s TRP 41 Ca -0.09 0.24 0.03 0.00 2.66 0.00 0.00 56.10 58.95 1s4y s TRP 41 Cb -0.04 0.53 -0.04 0.00 -3.10 0.00 0.00 33.47 30.83 1s4y s TRP 41 CO 0.04 -0.54 0.20 1.03 -2.66 0.00 0.00 176.95 175.02 1s4y s ARG 42 N -3.03 3.18 -0.22 3.25 0.52 -0.45 -0.14 118.95 122.05 1s4y s ARG 42 Ca 0.04 -0.71 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 1s4y s ARG 42 Cb -0.01 -2.82 0.07 0.00 0.52 0.00 0.00 34.95 32.71 1s4y s ARG 42 CO -0.09 0.51 0.04 1.21 0.02 0.00 0.00 175.30 177.00 1s4y s ASN 43 N -3.08 3.27 -0.33 0.23 3.84 -1.26 -1.74 114.94 115.87 1s4y s ASN 43 Ca 0.33 -1.03 -0.02 0.00 0.21 0.00 0.00 52.86 52.35 1s4y s ASN 43 Cb -0.11 -0.72 0.07 0.00 -0.55 0.00 0.00 41.25 39.94 1s4y s ASN 43 CO 0.26 -0.32 0.05 -0.55 -2.79 0.00 0.00 177.10 173.75 1s4y s SER 44 N 1.75 4.98 -0.20 -4.21 0.15 -1.07 -4.76 113.70 110.34 1s4y s SER 44 Ca 0.01 -1.51 -0.02 0.00 0.70 0.00 0.00 55.95 55.12 1s4y s SER 44 Cb -0.17 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1s4y s SER 44 CO -0.12 -0.34 0.13 -1.54 1.20 0.00 0.00 173.24 172.58 1s4y n SER 45 N 4.59 -0.96 0.00 5.45 3.41 -1.26 -2.51 113.62 122.34 1s4y n SER 45 Ca -0.09 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1s4y n SER 45 Cb 0.43 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1s4y n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4y n GLY 46 N -0.87 0.42 3.07 5.00 0.00 -1.26 -5.07 105.19 106.48 1s4y n GLY 46 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1s4y n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4y s THR 47 N -2.16 1.95 0.05 2.61 2.01 -1.04 -5.11 115.64 113.95 1s4y s THR 47 Ca 0.00 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 1s4y s THR 47 Cb 0.00 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1s4y s THR 47 CO 0.00 0.30 1.07 -0.63 -0.69 0.00 0.00 174.62 174.67 1s4y s ILE 48 N 1.28 4.43 -0.27 1.82 1.01 -1.26 -2.60 121.20 125.61 1s4y s ILE 48 Ca -0.00 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.46 1s4y s ILE 48 Cb -0.16 -4.15 0.07 0.00 0.01 0.00 0.00 42.46 38.24 1s4y s ILE 48 CO -0.10 0.17 -0.05 -0.70 0.00 0.00 0.00 174.94 174.26 1s4y s GLU 49 N 0.82 1.84 0.23 2.79 2.12 -0.71 -5.01 118.70 120.78 1s4y s GLU 49 Ca 0.54 -1.33 -0.32 0.00 0.36 0.00 0.00 54.97 54.22 1s4y s GLU 49 Cb -0.25 -2.82 -0.13 0.00 0.26 0.00 0.00 34.13 31.19 1s4y s GLU 49 CO 0.29 -0.67 1.53 1.28 -0.54 0.00 0.00 175.26 177.15 1s4y n LEU 50 N 4.49 3.49 -0.09 2.70 4.77 -1.26 -1.34 117.00 129.75 1s4y n LEU 50 Ca -0.09 1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.85 1s4y n LEU 50 Cb 0.43 -1.48 -0.05 0.00 -2.33 0.00 0.00 43.42 39.98 1s4y n LEU 50 CO 0.20 -0.22 -0.91 0.52 -1.33 0.00 0.00 177.39 175.65 1s4y n VAL 51 N 2.55 1.42 -3.61 4.08 0.31 -0.30 -4.66 118.33 118.12 1s4y n VAL 51 Ca 0.13 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.28 1s4y n VAL 51 Cb 0.32 -2.08 -0.07 0.00 -0.91 0.00 0.00 33.84 31.10 1s4y n VAL 51 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1s4y s LYS 52 N -2.66 0.80 -0.01 5.55 1.02 -1.17 -1.84 119.74 121.44 1s4y s LYS 52 Ca -0.29 0.75 0.02 0.00 0.02 0.00 0.00 55.97 56.48 1s4y s LYS 52 Cb 0.08 0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 37.77 1s4y s LYS 52 CO 0.40 -0.14 -0.08 0.15 -0.92 0.00 0.00 175.35 174.77 1s4y s LYS 53 N 0.01 0.65 0.00 1.68 1.02 -0.53 -0.82 119.74 121.75 1s4y s LYS 53 Ca -0.01 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1s4y s LYS 53 Cb -0.04 -0.63 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 1s4y s LYS 53 CO 0.01 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 1s4y n GLY 54 N 2.88 -0.77 3.91 -3.33 0.00 -0.93 -0.80 105.19 106.16 1s4y n GLY 54 Ca -0.13 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 1s4y n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4y s TRP 56 N -2.79 -1.16 0.83 0.00 -0.11 -0.64 -4.70 118.94 110.38 1s4y s TRP 56 Ca 0.49 1.74 -0.11 0.00 1.22 0.00 0.00 56.10 59.44 1s4y s TRP 56 Cb -0.10 0.49 0.09 0.00 -1.50 0.00 0.00 33.47 32.45 1s4y s TRP 56 CO 0.44 -0.66 1.12 -0.51 -4.62 0.00 0.00 176.95 172.72 1s4y s LEU 57 N 2.75 2.97 -0.44 5.86 1.43 -1.26 -1.68 118.68 128.31 1s4y s LEU 57 Ca 0.04 1.99 -0.41 0.00 -1.03 0.00 0.00 54.13 54.72 1s4y s LEU 57 Cb -0.13 -4.54 -0.17 0.00 0.03 0.00 0.00 46.19 41.37 1s4y s LEU 57 CO -0.17 -2.47 1.49 -0.67 0.23 0.00 0.00 176.35 174.75 1s4y n ASP 58 N -3.77 1.00 -3.83 2.29 4.64 -1.16 -4.80 116.55 110.93 1s4y n ASP 58 Ca 0.10 0.98 -0.13 0.00 -1.38 0.00 0.00 54.79 54.36 1s4y n ASP 58 Cb 0.53 -0.78 -0.15 0.00 -1.04 0.00 0.00 41.12 39.68 1s4y n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1s4y s ASP 59 N 3.06 0.00 0.36 1.67 -1.08 -1.26 -5.04 116.67 114.39 1s4y s ASP 59 Ca 0.95 0.05 0.03 0.00 -0.52 0.00 0.00 52.55 53.06 1s4y s ASP 59 Cb -1.32 0.01 0.68 0.00 -1.46 0.00 0.00 42.92 40.83 1s4y s ASP 59 CO 0.70 -0.05 2.00 2.19 0.52 0.00 0.00 175.17 180.53 1s4y h PHE 60 N 6.53 0.70 -1.49 -5.34 -0.00 -2.00 -1.91 116.94 113.43 1s4y h PHE 60 Ca -0.32 0.00 0.43 0.00 -0.00 0.00 0.00 57.97 58.09 1s4y h PHE 60 Cb 1.18 -0.23 -0.07 0.00 -0.00 0.00 0.00 35.95 36.83 1s4y h PHE 60 CO 0.44 0.47 1.07 -0.91 -0.00 0.00 0.00 178.31 179.38 1s4y h ASN 61 N 0.74 0.03 0.50 -0.68 2.35 -2.01 -1.84 115.58 114.68 1s4y h ASN 61 Ca 0.20 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1s4y h ASN 61 Cb -0.03 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1s4y h ASN 61 CO -0.04 -0.01 -0.95 0.00 -1.65 0.00 0.00 177.43 174.79 1s4y n TYR 63 N -1.97 1.14 -2.65 0.00 0.53 -0.70 -2.66 117.16 110.85 1s4y n TYR 63 Ca 0.02 0.44 -0.16 0.00 -1.02 0.00 0.00 57.90 57.18 1s4y n TYR 63 Cb 0.43 -2.18 -0.03 0.00 -1.03 0.00 0.00 39.34 36.53 1s4y n TYR 63 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1s4y n ASP 64 N -0.93 -0.83 -4.50 7.72 8.00 -1.26 -4.91 116.55 119.84 1s4y n ASP 64 Ca 0.14 -0.40 -0.38 0.00 0.71 0.00 0.00 54.79 54.86 1s4y n ASP 64 Cb 0.47 -0.74 -0.12 0.00 -0.02 0.00 0.00 41.12 40.71 1s4y n ASP 64 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1s4y s ARG 65 N -3.77 3.68 0.23 -1.24 0.52 -1.09 -4.93 118.95 112.35 1s4y s ARG 65 Ca 0.32 -0.49 0.13 0.00 -0.52 0.00 0.00 55.73 55.17 1s4y s ARG 65 Cb -0.18 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 1s4y s ARG 65 CO 0.39 -0.26 1.37 1.96 0.02 0.00 0.00 175.30 178.79 1s4y h GLN 66 N 8.33 0.00 -6.21 3.54 4.20 -1.91 0.31 115.11 123.37 1s4y h GLN 66 Ca -0.35 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.69 1s4y h GLN 66 Cb 1.17 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.81 1s4y h GLN 66 CO 0.58 0.62 -0.66 -1.21 -0.67 0.00 0.00 178.83 177.50 1s4y s GLU 67 N -2.89 2.70 -0.72 1.46 2.02 -1.26 -4.67 118.70 115.34 1s4y s GLU 67 Ca 0.03 -0.67 -0.20 0.00 0.02 0.00 0.00 54.97 54.15 1s4y s GLU 67 Cb 0.08 -2.62 0.11 0.00 0.10 0.00 0.00 34.13 31.80 1s4y s GLU 67 CO 0.77 0.60 0.90 0.00 0.02 0.00 0.00 175.26 177.55 1s4y s VAL 69 N 2.92 2.90 0.02 0.00 1.01 -1.26 -1.47 120.40 124.51 1s4y s VAL 69 Ca 0.21 -0.71 -0.38 0.00 0.00 0.00 0.00 61.98 61.09 1s4y s VAL 69 Cb -0.16 -2.21 -0.18 0.00 0.00 0.00 0.00 36.38 33.84 1s4y s VAL 69 CO 0.02 0.53 1.30 0.00 0.00 0.00 0.00 175.10 176.95 1s4y n ALA 70 N 3.59 -1.71 0.25 5.51 0.00 0.15 -4.53 120.51 123.77 1s4y n ALA 70 Ca -0.18 0.53 0.15 0.00 0.00 0.00 0.00 53.44 53.94 1s4y n ALA 70 Cb 0.53 -1.99 0.48 0.00 0.00 0.00 0.00 19.45 18.46 1s4y n ALA 70 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1s4y h THR 71 N 3.42 0.03 -4.24 0.00 1.35 -1.66 -3.38 112.91 108.43 1s4y h THR 71 Ca -0.48 -0.74 -0.16 0.00 -0.55 0.00 0.00 66.41 64.47 1s4y h THR 71 Cb 1.36 1.72 -0.15 0.00 -1.73 0.00 0.00 68.15 69.35 1s4y h THR 71 CO 0.76 0.01 -0.67 -1.61 -0.25 0.00 0.00 175.52 173.77 1s4y s GLU 72 N -3.49 0.78 -0.18 4.72 0.41 -1.26 -5.07 118.70 114.61 1s4y s GLU 72 Ca 0.03 -1.33 -0.12 0.00 -0.41 0.00 0.00 54.97 53.14 1s4y s GLU 72 Cb 0.07 0.16 -0.22 0.00 -1.78 0.00 0.00 34.13 32.36 1s4y s GLU 72 CO 0.60 -0.16 0.21 -1.91 -0.49 0.00 0.00 175.26 173.51 1s4y n GLU 73 N 0.00 0.67 -2.75 1.61 2.13 -1.26 -4.62 120.64 116.41 1s4y n GLU 73 Ca -0.10 0.37 -0.04 0.00 0.66 0.00 0.00 57.16 58.04 1s4y n GLU 73 Cb 0.62 -1.69 0.04 0.00 0.27 0.00 0.00 31.44 30.68 1s4y n GLU 73 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1s4y n ASN 74 N -3.88 1.56 -4.88 4.31 5.15 -1.26 -4.94 115.26 111.32 1s4y n ASN 74 Ca -0.35 -2.35 -0.29 0.00 -0.60 0.00 0.00 54.58 50.99 1s4y n ASN 74 Cb 0.90 -0.50 0.09 0.00 -0.53 0.00 0.00 39.78 39.73 1s4y n ASN 74 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1s4y s PRO 75 N -3.50 1.99 0.22 1.20 0.04 -1.26 -4.94 135.00 128.74 1s4y s PRO 75 Ca 0.27 0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.53 1s4y s PRO 75 Cb 0.38 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 33.16 1s4y s PRO 75 CO -0.01 -1.59 1.52 0.37 0.04 0.00 0.00 177.00 177.33 1s4y h GLN 76 N -1.05 0.24 -4.20 4.56 4.15 -1.99 -3.42 115.11 113.40 1s4y h GLN 76 Ca -0.46 -0.19 -0.51 0.00 0.77 0.00 0.00 58.65 58.26 1s4y h GLN 76 Cb 1.32 0.03 -0.36 0.00 0.21 0.00 0.00 27.48 28.68 1s4y h GLN 76 CO 0.65 0.82 -0.80 0.08 -1.93 0.00 0.00 178.83 177.65 1s4y s VAL 77 N -3.65 0.94 0.30 2.39 1.01 -1.26 -4.51 120.40 115.62 1s4y s VAL 77 Ca -0.04 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1s4y s VAL 77 Cb 0.11 -0.95 -0.08 0.00 0.00 0.00 0.00 36.38 35.46 1s4y s VAL 77 CO 0.81 0.34 0.68 -0.31 0.00 0.00 0.00 175.10 176.62 1s4y s TYR 78 N 1.52 3.40 -0.02 5.22 1.51 0.80 -4.89 117.35 124.89 1s4y s TYR 78 Ca 0.01 1.08 0.01 0.00 -1.01 0.00 0.00 57.07 57.17 1s4y s TYR 78 Cb -0.13 -2.43 0.01 0.00 -0.11 0.00 0.00 41.96 39.29 1s4y s TYR 78 CO -0.05 0.13 -0.04 0.12 -1.11 0.00 0.00 175.55 174.60 1s4y s PHE 79 N -1.97 0.50 0.06 2.71 5.36 -1.26 -1.81 117.98 121.57 1s4y s PHE 79 Ca 0.52 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.40 1s4y s PHE 79 Cb -0.10 -0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 42.14 1s4y s PHE 79 CO 0.20 -0.07 -0.06 0.00 -1.46 0.00 0.00 175.22 173.83 1s4y s GLU 83 N -3.96 2.75 0.00 0.00 2.12 0.11 -1.87 118.70 117.85 1s4y s GLU 83 Ca 0.17 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.52 1s4y s GLU 83 Cb -0.00 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 31.85 1s4y s GLU 83 CO 0.04 0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 1s4y n GLY 84 N -0.43 -1.72 3.68 -1.50 0.00 -1.26 -4.51 105.19 99.45 1s4y n GLY 84 Ca -0.08 -1.46 -0.46 0.00 0.00 0.00 0.00 46.02 44.02 1s4y n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s4y n ASN 85 N -1.37 3.51 -2.34 1.61 5.03 -1.26 -2.69 115.26 117.74 1s4y n ASN 85 Ca 0.00 1.01 -0.18 0.00 0.87 0.00 0.00 54.58 56.28 1s4y n ASN 85 Cb 0.00 -1.44 -0.01 0.00 -1.02 0.00 0.00 39.78 37.31 1s4y n ASN 85 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1s4y n PHE 86 N 5.38 -1.07 0.46 3.10 3.01 -0.82 -4.84 117.46 122.69 1s4y n PHE 86 Ca 0.20 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.78 1s4y n PHE 86 Cb 0.32 -3.52 0.47 0.00 -0.01 0.00 0.00 39.48 36.74 1s4y n PHE 86 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s4y n ASN 88 N -2.30 4.62 0.04 0.00 6.94 -1.26 -3.99 115.26 119.31 1s4y n ASN 88 Ca 0.03 -2.78 -0.11 0.00 -0.02 0.00 0.00 54.58 51.70 1s4y n ASN 88 Cb 0.30 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 1s4y n ASN 88 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1s4y h GLU 89 N 2.92 0.45 -4.86 -3.83 4.81 -1.91 -3.46 114.58 108.70 1s4y h GLU 89 Ca 0.05 -0.39 -0.31 0.00 -0.13 0.00 0.00 59.36 58.58 1s4y h GLU 89 Cb 1.74 0.09 -0.15 0.00 0.63 0.00 0.00 28.75 31.06 1s4y h GLU 89 CO 0.43 1.03 -0.66 1.03 -0.73 0.00 0.00 179.01 180.11 1s4y s ARG 90 N -3.57 1.15 0.36 1.92 0.52 -1.26 -5.14 118.95 112.93 1s4y s ARG 90 Ca -0.06 -1.56 -0.07 0.00 -0.52 0.00 0.00 55.73 53.53 1s4y s ARG 90 Cb 0.10 -0.34 0.02 0.00 0.52 0.00 0.00 34.95 35.25 1s4y s ARG 90 CO 0.85 -0.12 0.58 -0.59 0.02 0.00 0.00 175.30 176.05 1s4y s PHE 91 N -3.60 0.77 0.08 -0.53 -0.12 -1.26 -4.47 117.98 108.84 1s4y s PHE 91 Ca 0.25 -1.14 -0.11 0.00 -0.05 0.00 0.00 56.93 55.87 1s4y s PHE 91 Cb 0.06 0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.68 1s4y s PHE 91 CO 0.05 -1.29 0.24 0.95 -0.05 0.00 0.00 175.22 175.12 1s4y s THR 92 N -2.77 0.12 0.67 -4.49 -4.23 -0.54 -5.01 115.64 99.38 1s4y s THR 92 Ca 0.26 -0.95 -0.10 0.00 -1.18 0.00 0.00 61.69 59.72 1s4y s THR 92 Cb -0.02 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.66 1s4y s THR 92 CO 0.18 -0.53 1.04 -1.00 -0.54 0.00 0.00 174.62 173.77 1s4y s HIS 93 N -3.41 3.31 1.13 3.99 3.76 -1.26 0.35 115.29 123.17 1s4y s HIS 93 Ca 0.01 0.94 -0.16 0.00 -0.15 0.00 0.00 55.06 55.70 1s4y s HIS 93 Cb 0.02 -2.96 0.25 0.00 1.11 0.00 0.00 32.58 31.01 1s4y s HIS 93 CO -0.09 -1.06 1.08 -0.51 -0.85 0.00 0.00 174.74 173.32 1s4y s LEU 94 N -5.24 0.93 0.00 0.89 2.01 -1.26 -4.66 118.68 111.35 1s4y s LEU 94 Ca 0.57 0.96 0.19 0.00 0.01 0.00 0.00 54.13 55.86 1s4y s LEU 94 Cb -0.11 -2.87 1.12 0.00 0.01 0.00 0.00 46.19 44.34 1s4y s LEU 94 CO 0.50 -3.83 1.52 -0.81 1.01 0.00 0.00 176.35 174.74