#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 s ALA 2 N 0.00 3.11 0.10 0.00 0.00 -1.26 -4.86 121.76 118.85 3i20 s ALA 2 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 51.96 52.08 3i20 s ALA 2 Cb 0.00 -3.91 0.42 0.00 0.00 0.00 0.00 23.12 19.63 3i20 s ALA 2 CO 0.00 -2.26 1.61 0.87 0.00 0.00 0.00 175.76 175.98 3i20 h LYS 3 N 10.57 0.00 -4.95 0.00 1.57 -2.01 -3.43 116.57 118.31 3i20 h LYS 3 Ca -0.28 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.01 3i20 h LYS 3 Cb 1.11 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.11 3i20 h LYS 3 CO 1.07 0.49 -0.81 0.42 -0.57 0.00 0.00 179.45 180.04 3i20 s ILE 4 N -3.37 1.07 -0.15 1.86 1.01 -1.26 -4.88 121.20 115.48 3i20 s ILE 4 Ca 0.01 -0.53 -0.19 0.00 0.00 0.00 0.00 60.65 59.94 3i20 s ILE 4 Cb 0.10 -0.93 0.05 0.00 0.01 0.00 0.00 42.46 41.69 3i20 s ILE 4 CO 0.72 0.32 0.51 0.00 0.00 0.00 0.00 174.94 176.49 3i20 s ARG 5 N 0.07 0.67 0.00 2.79 1.70 -1.26 -5.06 118.95 117.87 3i20 s ARG 5 Ca -0.02 0.53 0.00 0.00 -0.47 0.00 0.00 55.73 55.76 3i20 s ARG 5 Cb -0.09 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 3i20 s ARG 5 CO 0.01 -0.12 0.00 -2.13 -1.08 0.00 0.00 175.30 171.98 3i20 n ARG 6 N 2.33 0.00 -1.61 3.89 3.00 -1.26 -3.98 116.66 119.02 3i20 n ARG 6 Ca -0.15 0.00 -0.47 0.00 -0.00 0.00 0.00 57.85 57.23 3i20 n ARG 6 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.98 3i20 n ARG 6 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i20 n ASP 7 N 0.00 3.21 -3.19 6.15 10.43 -1.26 -3.93 116.55 127.95 3i20 n ASP 7 Ca 0.00 0.67 0.04 0.00 2.57 0.00 0.00 54.79 58.07 3i20 n ASP 7 Cb 0.00 -1.41 -0.04 0.00 1.84 0.00 0.00 41.12 41.51 3i20 n ASP 7 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3i20 s ASP 8 N 5.80 -0.07 -0.18 -2.24 3.68 -1.26 -4.93 116.67 117.48 3i20 s ASP 8 Ca 0.98 0.09 -0.29 0.00 2.13 0.00 0.00 52.55 55.46 3i20 s ASP 8 Cb -0.62 1.08 -0.00 0.00 -1.45 0.00 0.00 42.92 41.93 3i20 s ASP 8 CO 0.46 -0.01 1.02 -0.70 0.13 0.00 0.00 175.17 176.07 3i20 s GLU 9 N 2.03 4.33 0.12 4.34 2.12 -1.26 -1.88 118.70 128.49 3i20 s GLU 9 Ca 0.00 1.35 0.06 0.00 0.36 0.00 0.00 54.97 56.75 3i20 s GLU 9 Cb -0.01 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 3i20 s GLU 9 CO -0.16 -0.49 -0.15 0.14 -0.54 0.00 0.00 175.26 174.06 3i20 s VAL 10 N 2.66 1.40 -0.04 3.70 -7.23 -0.53 -1.95 120.40 118.42 3i20 s VAL 10 Ca 0.45 -1.66 -0.07 0.00 -1.81 0.00 0.00 61.98 58.90 3i20 s VAL 10 Cb -0.16 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 3i20 s VAL 10 CO 0.11 -0.33 0.22 -0.51 -0.31 0.00 0.00 175.10 174.28 3i20 s ILE 11 N -1.89 5.37 0.45 -0.62 2.07 -0.49 -1.83 121.20 124.26 3i20 s ILE 11 Ca 0.08 0.18 -0.22 0.00 -1.41 0.00 0.00 60.65 59.28 3i20 s ILE 11 Cb -0.06 -3.52 -0.09 0.00 0.13 0.00 0.00 42.46 38.92 3i20 s ILE 11 CO 0.03 0.46 1.04 -0.69 -1.91 0.00 0.00 174.94 173.87 3i20 s VAL 12 N -1.20 3.81 -0.02 4.00 1.01 -0.47 -1.41 120.40 126.12 3i20 s VAL 12 Ca 0.23 1.22 0.10 0.00 0.00 0.00 0.00 61.98 63.53 3i20 s VAL 12 Cb -0.13 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.54 3i20 s VAL 12 CO 0.12 -0.15 0.21 0.18 0.00 0.00 0.00 175.10 175.47 3i20 n LEU 13 N -0.58 0.00 -3.68 3.92 4.77 0.27 -4.09 117.00 117.61 3i20 n LEU 13 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3i20 n LEU 13 Cb 0.51 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 3i20 n LEU 13 CO 0.42 0.01 0.18 0.42 -1.33 0.00 0.00 177.39 177.08 3i20 s THR 14 N -2.68 -0.01 0.00 -5.08 -4.23 -1.23 -4.90 115.64 97.52 3i20 s THR 14 Ca -0.04 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 3i20 s THR 14 Cb 0.06 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.14 3i20 s THR 14 CO 0.41 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 3i20 n GLY 15 N 3.96 -0.49 5.00 3.99 0.00 -1.26 -4.57 105.19 111.82 3i20 n GLY 15 Ca -0.20 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3i20 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i20 n LYS 16 N 1.59 0.00 -0.83 1.61 4.76 -1.26 -2.55 118.16 121.48 3i20 n LYS 16 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3i20 n LYS 16 Cb 0.00 0.00 0.26 0.00 -1.84 0.00 0.00 35.03 33.45 3i20 n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3i20 n ASP 17 N 0.00 4.40 0.00 4.39 10.43 -1.26 -4.88 116.55 129.63 3i20 n ASP 17 Ca 0.00 -2.95 0.00 0.00 2.57 0.00 0.00 54.79 54.41 3i20 n ASP 17 Cb 0.00 -0.70 0.00 0.00 1.84 0.00 0.00 41.12 42.26 3i20 n ASP 17 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i20 n LYS 18 N 0.02 0.00 -0.51 -1.24 4.76 -1.06 0.45 118.16 120.58 3i20 n LYS 18 Ca 0.32 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.83 3i20 n LYS 18 Cb 1.18 0.00 0.26 0.00 -1.84 0.00 0.00 35.03 34.63 3i20 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i20 n GLY 19 N -0.10 4.09 3.39 0.72 0.00 -1.26 -2.95 105.19 109.09 3i20 n GLY 19 Ca 0.00 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 3i20 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s LYS 20 N -2.88 -2.19 0.08 1.61 3.01 0.17 -4.63 119.74 114.92 3i20 s LYS 20 Ca 0.43 0.27 -0.02 0.00 -1.01 0.00 0.00 55.97 55.65 3i20 s LYS 20 Cb 0.35 -1.45 -0.04 0.00 -1.01 0.00 0.00 37.83 35.68 3i20 s LYS 20 CO 0.08 -4.42 0.01 1.03 0.51 0.00 0.00 175.35 172.57 3i20 s ARG 21 N -4.97 0.73 0.00 1.68 0.52 -1.26 -1.37 118.95 114.28 3i20 s ARG 21 Ca 0.69 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3i20 s ARG 21 Cb -0.16 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.54 3i20 s ARG 21 CO 0.59 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 176.15 3i20 n GLY 22 N 0.03 1.54 3.76 -3.53 0.00 -0.76 -4.94 105.19 101.28 3i20 n GLY 22 Ca -0.11 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 3i20 n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i20 s LYS 23 N -2.00 3.37 -0.73 1.61 2.20 -1.26 -1.46 119.74 121.48 3i20 s LYS 23 Ca 0.00 2.04 -0.23 0.00 -0.36 0.00 0.00 55.97 57.41 3i20 s LYS 23 Cb 0.00 -2.30 0.06 0.00 -1.51 0.00 0.00 37.83 34.09 3i20 s LYS 23 CO 0.00 -0.94 1.09 0.08 -0.36 0.00 0.00 175.35 175.21 3i20 s VAL 24 N -1.41 4.19 0.33 4.02 1.01 -0.79 -1.07 120.40 126.68 3i20 s VAL 24 Ca 0.69 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 62.44 3i20 s VAL 24 Cb -0.35 -4.77 0.32 0.00 0.00 0.00 0.00 36.38 31.57 3i20 s VAL 24 CO 0.42 -1.59 1.79 0.11 0.00 0.00 0.00 175.10 175.83 3i20 h LYS 25 N 9.63 0.66 -1.14 2.72 1.79 -0.65 -3.37 116.57 126.20 3i20 h LYS 25 Ca -0.21 -0.04 0.32 0.00 -2.18 0.00 0.00 60.65 58.53 3i20 h LYS 25 Cb 1.06 -0.15 -0.20 0.00 -1.58 0.00 0.00 32.23 31.36 3i20 h LYS 25 CO 1.21 0.44 0.94 0.54 -1.08 0.00 0.00 179.45 181.50 3i20 s ASN 26 N -5.44 -0.04 0.22 0.86 2.20 -1.11 -4.90 114.94 106.73 3i20 s ASN 26 Ca -0.11 -0.00 0.09 0.00 -0.94 0.00 0.00 52.86 51.90 3i20 s ASN 26 Cb 0.25 0.04 -0.04 0.00 -2.00 0.00 0.00 41.25 39.50 3i20 s ASN 26 CO 0.80 -0.07 -0.01 0.54 -2.94 0.00 0.00 177.10 175.42 3i20 s VAL 27 N -2.13 3.54 0.02 3.54 0.11 -1.26 -0.82 120.40 123.40 3i20 s VAL 27 Ca 0.11 -1.69 0.02 0.00 -2.93 0.00 0.00 61.98 57.49 3i20 s VAL 27 Cb -0.00 -2.84 -0.01 0.00 -1.53 0.00 0.00 36.38 32.00 3i20 s VAL 27 CO -0.03 -0.24 -0.06 -0.76 -3.33 0.00 0.00 175.10 170.68 3i20 s LEU 28 N -3.31 2.13 0.36 2.54 1.43 -0.85 -4.99 118.68 116.00 3i20 s LEU 28 Ca 0.29 -0.32 0.16 0.00 -1.03 0.00 0.00 54.13 53.24 3i20 s LEU 28 Cb -0.08 -0.18 1.10 0.00 0.03 0.00 0.00 46.19 47.07 3i20 s LEU 28 CO 0.19 -0.08 1.68 0.77 0.23 0.00 0.00 176.35 179.14 3i20 h SER 29 N 5.26 0.50 -0.71 2.29 4.64 -2.01 -0.26 113.55 123.26 3i20 h SER 29 Ca -0.31 0.16 0.20 0.00 -0.47 0.00 0.00 61.79 61.37 3i20 h SER 29 Cb 1.20 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 3i20 h SER 29 CO 0.45 -0.08 0.71 0.28 -0.87 0.00 0.00 176.83 177.32 3i20 h SER 30 N 0.34 0.00 0.00 4.97 0.02 -2.03 -3.43 113.55 113.42 3i20 h SER 30 Ca 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.66 3i20 h SER 30 Cb 1.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.24 3i20 h SER 30 CO -0.52 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.78 3i20 n GLY 31 N -1.60 0.83 3.54 -3.77 0.00 -0.11 -5.05 105.19 99.03 3i20 n GLY 31 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3i20 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s LYS 32 N -0.99 2.26 0.49 1.61 1.02 -1.24 -0.68 119.74 122.21 3i20 s LYS 32 Ca 0.00 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.15 3i20 s LYS 32 Cb 0.00 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3i20 s LYS 32 CO 0.00 0.55 0.29 0.14 -0.92 0.00 0.00 175.35 175.42 3i20 s VAL 33 N -1.02 1.86 -0.35 3.17 -7.23 0.21 -2.01 120.40 115.04 3i20 s VAL 33 Ca 0.17 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 3i20 s VAL 33 Cb -0.11 -2.45 0.11 0.00 0.56 0.00 0.00 36.38 34.49 3i20 s VAL 33 CO 0.08 0.00 0.12 -0.63 -0.31 0.00 0.00 175.10 174.36 3i20 s ILE 34 N -2.71 1.37 -0.16 -0.62 1.01 -0.00 -0.01 121.20 120.08 3i20 s ILE 34 Ca 0.34 -1.91 -0.16 0.00 0.00 0.00 0.00 60.65 58.91 3i20 s ILE 34 Cb -0.00 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3i20 s ILE 34 CO 0.20 -0.70 0.41 -0.69 0.00 0.00 0.00 174.94 174.15 3i20 s VAL 35 N 1.14 5.22 0.65 2.92 1.01 -1.26 0.08 120.40 130.16 3i20 s VAL 35 Ca 0.12 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 3i20 s VAL 35 Cb -0.19 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3i20 s VAL 35 CO -0.15 0.31 1.18 -1.84 0.00 0.00 0.00 175.10 174.60 3i20 n GLU 36 N 3.93 0.97 -1.80 2.72 0.28 -0.23 -2.36 120.64 124.15 3i20 n GLU 36 Ca -0.09 0.39 -0.17 0.00 -0.16 0.00 0.00 57.16 57.13 3i20 n GLU 36 Cb 0.51 -2.41 -0.05 0.00 1.43 0.00 0.00 31.44 30.92 3i20 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i20 n GLY 37 N 1.03 0.96 0.00 -1.84 0.00 -1.26 -4.69 105.19 99.39 3i20 n GLY 37 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i20 n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i20 n ILE 38 N -2.67 0.00 -1.70 -0.61 2.08 -1.00 -4.84 119.36 110.62 3i20 n ILE 38 Ca -0.18 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 62.95 3i20 n ILE 38 Cb 0.60 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.41 3i20 n ILE 38 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3i20 s ASN 39 N -0.69 4.03 -0.02 4.38 2.47 -1.26 -4.87 114.94 118.97 3i20 s ASN 39 Ca 0.00 -0.52 -0.17 0.00 0.42 0.00 0.00 52.86 52.58 3i20 s ASN 39 Cb 0.00 -2.57 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 3i20 s ASN 39 CO 0.00 -3.92 0.48 -0.76 -3.72 0.00 0.00 177.10 169.18 3i20 s LEU 40 N 14.46 4.42 0.03 3.21 1.43 -1.26 -0.28 118.68 140.69 3i20 s LEU 40 Ca 0.84 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.96 3i20 s LEU 40 Cb -0.08 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 3i20 s LEU 40 CO 0.10 0.20 -0.07 0.68 0.23 0.00 0.00 176.35 177.49 3i20 s VAL 41 N -0.49 0.51 -0.54 -1.59 -7.23 -0.30 -4.94 120.40 105.82 3i20 s VAL 41 Ca 0.26 -0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 59.38 3i20 s VAL 41 Cb -0.17 -0.56 0.14 0.00 0.56 0.00 0.00 36.38 36.34 3i20 s VAL 41 CO 0.14 -0.30 0.44 -0.54 -0.31 0.00 0.00 175.10 174.53 3i20 s LYS 42 N -1.34 2.76 0.71 4.82 3.01 -1.25 -0.19 119.74 128.26 3i20 s LYS 42 Ca -0.08 -1.86 -0.12 0.00 -1.01 0.00 0.00 55.97 52.90 3i20 s LYS 42 Cb -0.09 -4.09 0.02 0.00 -1.01 0.00 0.00 37.83 32.67 3i20 s LYS 42 CO 0.00 -1.25 1.09 0.15 0.51 0.00 0.00 175.35 175.85 3i20 s LYS 43 N 1.24 2.65 -0.56 1.68 1.02 -0.55 -4.70 119.74 120.52 3i20 s LYS 43 Ca 0.07 1.20 0.01 0.00 0.02 0.00 0.00 55.97 57.26 3i20 s LYS 43 Cb -0.26 -1.94 0.45 0.00 -0.52 0.00 0.00 37.83 35.56 3i20 s LYS 43 CO -0.01 -1.34 1.76 0.72 -0.92 0.00 0.00 175.35 175.56 3i20 n HIS 44 N -2.98 3.08 -1.10 3.18 8.25 -1.26 -1.18 115.22 123.21 3i20 n HIS 44 Ca 0.09 -2.75 -0.45 0.00 -0.26 0.00 0.00 57.72 54.34 3i20 n HIS 44 Cb 0.53 -1.06 -0.07 0.00 1.12 0.00 0.00 29.99 30.50 3i20 n HIS 44 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3i20 n GLN 45 N -0.82 0.00 -2.44 -0.41 7.27 -1.04 -4.63 117.38 115.30 3i20 n GLN 45 Ca 0.56 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 57.25 3i20 n GLN 45 Cb 0.73 -1.04 -0.03 0.00 2.41 0.00 0.00 30.24 32.30 3i20 n GLN 45 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3i20 s LYS 46 N 2.81 4.25 0.61 3.69 2.20 -1.26 -1.12 119.74 130.92 3i20 s LYS 46 Ca 0.77 1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 57.90 3i20 s LYS 46 Cb -1.04 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 3i20 s LYS 46 CO 0.53 -0.11 1.11 -1.25 -0.36 0.00 0.00 175.35 175.27 3i20 s PRO 47 N -2.17 3.07 -0.23 4.03 0.04 -1.26 -4.66 135.00 133.82 3i20 s PRO 47 Ca 0.54 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 3i20 s PRO 47 Cb -0.27 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.38 3i20 s PRO 47 CO 0.35 -1.05 0.19 0.54 0.04 0.00 0.00 177.00 177.07 3i20 s VAL 48 N -2.15 -0.25 0.24 -0.36 0.11 -1.24 -4.93 120.40 111.83 3i20 s VAL 48 Ca 0.69 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 3i20 s VAL 48 Cb -0.21 -0.78 0.32 0.00 -1.53 0.00 0.00 36.38 34.18 3i20 s VAL 48 CO 0.35 -0.38 1.20 -2.65 -3.33 0.00 0.00 175.10 170.30 3i20 n PRO 49 N 5.30 -0.06 -2.20 1.54 -0.02 -1.26 -2.82 135.00 135.48 3i20 n PRO 49 Ca -0.05 1.14 -0.31 0.00 -2.02 0.00 0.00 63.50 62.26 3i20 n PRO 49 Cb 0.47 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.08 3i20 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i20 s ALA 50 N -5.66 2.07 0.31 3.55 0.00 -1.26 -4.59 121.76 116.19 3i20 s ALA 50 Ca -0.10 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.84 3i20 s ALA 50 Cb 0.23 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.74 3i20 s ALA 50 CO 0.60 -4.60 0.00 1.28 0.00 0.00 0.00 175.76 173.04 3i20 n LEU 51 N 12.68 -2.76 -2.75 0.00 4.77 -1.25 -4.82 117.00 122.87 3i20 n LEU 51 Ca 0.42 2.29 -0.12 0.00 -0.03 0.00 0.00 56.01 58.57 3i20 n LEU 51 Cb 0.47 -2.66 0.06 0.00 -2.33 0.00 0.00 43.42 38.97 3i20 n LEU 51 CO 0.66 -0.04 0.06 0.59 -1.33 0.00 0.00 177.39 177.33 3i20 n ASN 52 N -0.22 -2.98 -1.64 -1.43 5.03 -1.26 -4.81 115.26 107.94 3i20 n ASN 52 Ca 0.00 -0.47 0.08 0.00 0.87 0.00 0.00 54.58 55.06 3i20 n ASN 52 Cb 0.00 -3.86 0.35 0.00 -1.02 0.00 0.00 39.78 35.26 3i20 n ASN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i20 n GLN 53 N -3.11 4.05 0.05 3.52 0.00 -1.13 -3.64 117.38 117.13 3i20 n GLN 53 Ca -0.16 -2.78 -0.20 0.00 0.00 0.00 0.00 57.00 53.85 3i20 n GLN 53 Cb 0.61 -2.02 -0.13 0.00 0.00 0.00 0.00 30.24 28.70 3i20 n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3i20 h PRO 54 N 3.77 0.44 -1.13 2.61 0.13 -1.93 -3.39 132.00 132.50 3i20 h PRO 54 Ca 0.00 -0.61 0.13 0.00 -0.87 0.00 0.00 66.00 64.65 3i20 h PRO 54 Cb 1.61 0.21 -0.05 0.00 0.13 0.00 0.00 31.00 32.90 3i20 h PRO 54 CO 0.33 1.25 -0.28 0.41 -0.23 0.00 0.00 178.00 179.48 3i20 n GLY 55 N 1.42 -2.05 0.00 1.56 0.00 -1.26 -4.68 105.19 100.18 3i20 n GLY 55 Ca -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3i20 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i20 n GLY 56 N -2.92 3.75 3.71 -0.02 0.00 -0.27 -4.93 105.19 104.51 3i20 n GLY 56 Ca -0.01 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 3i20 n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i20 n ILE 57 N -1.57 2.57 -3.54 -0.61 5.41 -1.25 -2.50 119.36 117.88 3i20 n ILE 57 Ca 0.00 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 62.99 3i20 n ILE 57 Cb 0.00 -1.60 -0.15 0.00 -0.71 0.00 0.00 39.64 37.18 3i20 n ILE 57 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3i20 s VAL 58 N -1.19 -0.14 -0.61 1.39 1.01 -0.33 -4.90 120.40 115.62 3i20 s VAL 58 Ca 0.61 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3i20 s VAL 58 Cb -0.50 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3i20 s VAL 58 CO 0.58 -0.51 1.22 -0.70 0.00 0.00 0.00 175.10 175.69 3i20 s GLU 59 N 2.17 3.44 0.21 2.72 2.12 -1.25 -1.49 118.70 126.62 3i20 s GLU 59 Ca 0.07 0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.56 3i20 s GLU 59 Cb -0.16 -4.05 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 3i20 s GLU 59 CO -0.26 -1.79 0.11 0.21 -0.54 0.00 0.00 175.26 172.99 3i20 s LYS 60 N 5.14 1.23 0.34 4.30 2.47 0.74 -4.90 119.74 129.06 3i20 s LYS 60 Ca 0.42 -1.65 -0.28 0.00 -1.56 0.00 0.00 55.97 52.90 3i20 s LYS 60 Cb -0.08 0.08 -0.10 0.00 -1.46 0.00 0.00 37.83 36.28 3i20 s LYS 60 CO 0.23 -0.34 1.23 -1.21 0.16 0.00 0.00 175.35 175.43 3i20 s GLU 61 N -4.10 4.34 -0.10 4.03 0.41 -1.26 -1.15 118.70 120.87 3i20 s GLU 61 Ca 0.37 2.04 0.01 0.00 -0.41 0.00 0.00 54.97 56.98 3i20 s GLU 61 Cb 0.07 -3.00 0.02 0.00 -1.78 0.00 0.00 34.13 29.44 3i20 s GLU 61 CO 0.11 -0.14 -0.13 0.00 -0.49 0.00 0.00 175.26 174.61 3i20 s ALA 62 N -1.21 1.51 0.76 5.21 0.00 0.61 -4.88 121.76 123.76 3i20 s ALA 62 Ca 0.50 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 3i20 s ALA 62 Cb -0.36 -0.78 -0.13 0.00 0.00 0.00 0.00 23.12 21.85 3i20 s ALA 62 CO 0.47 -0.09 -0.35 0.00 0.00 0.00 0.00 175.76 175.79 3i20 n ALA 63 N 4.24 -4.00 -3.54 0.00 0.00 -1.26 -4.36 120.51 111.59 3i20 n ALA 63 Ca -0.19 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 3i20 n ALA 63 Cb 0.51 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 3i20 n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i20 s ILE 64 N -2.00 -0.01 -0.25 0.00 2.07 0.98 -4.93 121.20 117.06 3i20 s ILE 64 Ca 0.50 0.04 -0.41 0.00 -1.41 0.00 0.00 60.65 59.37 3i20 s ILE 64 Cb -0.33 -0.68 -0.17 0.00 0.13 0.00 0.00 42.46 41.41 3i20 s ILE 64 CO 0.73 0.02 1.62 0.00 -1.91 0.00 0.00 174.94 175.40 3i20 n GLN 65 N 3.59 0.87 0.09 3.50 1.13 -1.26 0.68 117.38 125.97 3i20 n GLN 65 Ca -0.18 0.32 0.11 0.00 -1.94 0.00 0.00 57.00 55.30 3i20 n GLN 65 Cb 0.56 -1.95 0.58 0.00 0.11 0.00 0.00 30.24 29.55 3i20 n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3i20 h VAL 66 N 4.80 0.94 0.00 5.09 3.04 -1.21 -1.70 116.25 127.21 3i20 h VAL 66 Ca -0.46 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3i20 h VAL 66 Cb 1.34 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 3i20 h VAL 66 CO 0.92 0.03 0.00 -0.24 -1.01 0.00 0.00 177.57 177.28 3i20 n SER 67 N -4.48 0.04 -0.12 3.17 2.88 -1.26 -1.65 113.62 112.20 3i20 n SER 67 Ca 0.03 -0.40 0.03 0.00 -1.33 0.00 0.00 58.87 57.20 3i20 n SER 67 Cb 0.25 -0.02 0.04 0.00 -0.75 0.00 0.00 64.21 63.73 3i20 n SER 67 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3i20 n ASN 68 N -0.32 1.21 -4.06 -3.46 3.02 -0.64 -5.02 115.26 105.99 3i20 n ASN 68 Ca 0.00 -2.04 -0.13 0.00 -0.03 0.00 0.00 54.58 52.38 3i20 n ASN 68 Cb 0.01 -0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 38.92 3i20 n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3i20 s VAL 69 N -1.04 0.54 0.38 2.41 -7.23 -0.66 0.95 120.40 115.75 3i20 s VAL 69 Ca 0.08 -1.08 0.08 0.00 -1.81 0.00 0.00 61.98 59.25 3i20 s VAL 69 Cb 0.07 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.33 3i20 s VAL 69 CO 0.01 -0.38 0.04 0.00 -0.31 0.00 0.00 175.10 174.45 3i20 s ALA 70 N -1.39 3.25 0.42 1.32 0.00 -0.50 -4.91 121.76 119.96 3i20 s ALA 70 Ca -0.10 -2.13 -0.23 0.00 0.00 0.00 0.00 51.96 49.50 3i20 s ALA 70 Cb -0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.77 3i20 s ALA 70 CO 0.00 -0.05 1.03 0.96 0.00 0.00 0.00 175.76 177.70 3i20 s ILE 71 N -2.61 3.86 -0.16 0.00 -4.36 -1.26 -1.40 121.20 115.26 3i20 s ILE 71 Ca 0.36 1.34 -0.14 0.00 -0.26 0.00 0.00 60.65 61.94 3i20 s ILE 71 Cb 0.05 -3.65 -0.05 0.00 1.25 0.00 0.00 42.46 40.06 3i20 s ILE 71 CO 0.19 -0.08 0.32 0.12 0.24 0.00 0.00 174.94 175.74 3i20 s PHE 72 N -1.79 3.46 0.02 1.37 5.36 -0.82 -2.86 117.98 122.72 3i20 s PHE 72 Ca 0.60 0.63 0.21 0.00 -0.96 0.00 0.00 56.93 57.41 3i20 s PHE 72 Cb -0.19 -2.38 0.64 0.00 -0.34 0.00 0.00 43.02 40.76 3i20 s PHE 72 CO 0.24 0.21 1.71 -0.97 -1.46 0.00 0.00 175.22 174.94 3i20 h ASN 73 N 6.74 0.00 0.00 6.13 -1.24 -1.85 -3.46 115.58 121.90 3i20 h ASN 73 Ca -0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.60 3i20 h ASN 73 Cb 1.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.22 3i20 h ASN 73 CO 0.75 0.29 0.00 0.00 -1.29 0.00 0.00 177.43 177.19 3i20 n ALA 74 N -2.22 0.00 -0.00 1.57 0.00 -1.26 -4.14 120.51 114.45 3i20 n ALA 74 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i20 n ALA 74 Cb 0.52 -0.72 -0.00 0.00 0.00 0.00 0.00 19.45 19.25 3i20 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n ALA 75 N 0.87 1.99 -0.05 0.00 0.00 -1.26 -4.70 120.51 117.36 3i20 n ALA 75 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 3i20 n ALA 75 Cb 0.10 0.45 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 3i20 n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i20 n THR 76 N -2.43 0.64 -2.12 0.00 -2.24 -1.26 -5.03 114.28 101.84 3i20 n THR 76 Ca -0.01 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3i20 n THR 76 Cb 0.51 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3i20 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i20 n GLY 77 N 1.74 0.86 3.83 3.38 0.00 -1.26 -5.05 105.19 108.69 3i20 n GLY 77 Ca -0.17 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 3i20 n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i20 s LYS 78 N -4.27 1.48 0.96 1.61 2.20 -1.26 -4.94 119.74 115.51 3i20 s LYS 78 Ca 0.00 -0.92 -0.12 0.00 -0.36 0.00 0.00 55.97 54.57 3i20 s LYS 78 Cb 0.00 0.44 0.10 0.00 -1.51 0.00 0.00 37.83 36.85 3i20 s LYS 78 CO 0.00 -0.69 0.71 0.00 -0.36 0.00 0.00 175.35 175.01 3i20 n ALA 79 N -0.60 -1.98 0.00 3.13 0.00 -1.26 -2.87 120.51 116.93 3i20 n ALA 79 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3i20 n ALA 79 Cb 0.60 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3i20 n ALA 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i20 n ASP 80 N -2.67 0.00 -1.05 0.00 10.43 -1.14 -4.83 116.55 117.29 3i20 n ASP 80 Ca 0.08 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.45 3i20 n ASP 80 Cb 0.53 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.49 3i20 n ASP 80 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i20 n ARG 81 N -0.02 -2.74 -0.10 -1.24 1.74 -1.26 -3.36 116.66 109.67 3i20 n ARG 81 Ca 0.00 2.13 -0.17 0.00 -0.77 0.00 0.00 57.85 59.04 3i20 n ARG 81 Cb 0.00 -2.69 -0.06 0.00 -1.02 0.00 0.00 32.46 28.69 3i20 n ARG 81 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i20 n VAL 82 N -2.33 1.50 -1.28 1.55 0.31 -1.26 -2.29 118.33 114.53 3i20 n VAL 82 Ca -0.00 -0.03 0.14 0.00 -0.01 0.00 0.00 64.34 64.44 3i20 n VAL 82 Cb 0.33 -2.16 -0.07 0.00 -0.91 0.00 0.00 33.84 31.03 3i20 n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i20 n GLY 83 N 1.43 -2.54 3.33 2.92 0.00 -1.26 -2.67 105.19 106.40 3i20 n GLY 83 Ca -0.28 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 3i20 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i20 s PHE 84 N -4.11 1.57 0.09 1.61 0.40 -1.26 -3.44 117.98 112.84 3i20 s PHE 84 Ca 0.00 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 3i20 s PHE 84 Cb 0.00 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.60 3i20 s PHE 84 CO 0.00 -0.15 0.00 -2.13 0.70 0.00 0.00 175.22 173.64 3i20 n ARG 85 N -0.45 -1.46 0.00 0.44 3.00 -0.52 -4.96 116.66 112.72 3i20 n ARG 85 Ca -0.03 1.14 0.00 0.00 -0.00 0.00 0.00 57.85 58.95 3i20 n ARG 85 Cb 0.65 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.97 3i20 n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3i20 n PHE 86 N -0.04 0.00 0.00 -0.14 -0.00 -0.33 -4.93 117.46 112.02 3i20 n PHE 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i20 n PHE 86 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3i20 n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i20 n GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.26 -5.12 120.64 110.13 3i20 n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i20 n GLU 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3i20 n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i20 n ASP 88 N -0.06 0.00 0.00 -1.84 4.64 -1.26 -4.88 116.55 113.16 3i20 n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i20 n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3i20 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i20 n GLY 89 N 0.51 -0.47 3.83 0.27 0.00 -1.26 -5.04 105.19 103.03 3i20 n GLY 89 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i20 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s LYS 90 N -0.19 3.08 -0.05 1.61 -0.14 -1.26 -5.06 119.74 117.73 3i20 s LYS 90 Ca 0.00 -0.64 -0.13 0.00 -1.36 0.00 0.00 55.97 53.84 3i20 s LYS 90 Cb 0.00 -2.82 -0.08 0.00 -1.68 0.00 0.00 37.83 33.25 3i20 s LYS 90 CO 0.00 0.56 0.55 -0.22 -0.76 0.00 0.00 175.35 175.48 3i20 h LYS 91 N 3.03 -0.41 -2.40 1.68 3.64 -1.98 -3.38 116.57 116.75 3i20 h LYS 91 Ca -0.46 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3i20 h LYS 91 Cb 1.17 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3i20 h LYS 91 CO 0.68 -0.23 -0.50 0.28 -2.27 0.00 0.00 179.45 177.41 3i20 n VAL 92 N -5.06 -5.37 -2.30 2.00 0.31 -1.26 -1.19 118.33 105.46 3i20 n VAL 92 Ca -0.06 1.57 -0.25 0.00 -0.01 0.00 0.00 64.34 65.59 3i20 n VAL 92 Cb 0.19 -2.93 0.07 0.00 -0.91 0.00 0.00 33.84 30.25 3i20 n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i20 s ARG 93 N -2.51 2.17 -0.29 5.55 0.52 -1.26 -1.43 118.95 121.69 3i20 s ARG 93 Ca 0.00 -0.42 -0.16 0.00 -0.52 0.00 0.00 55.73 54.63 3i20 s ARG 93 Cb 0.00 -2.23 0.14 0.00 0.52 0.00 0.00 34.95 33.39 3i20 s ARG 93 CO 0.00 -1.20 0.97 -0.59 0.02 0.00 0.00 175.30 174.50 3i20 s PHE 94 N -3.17 -0.58 0.32 -0.53 -0.12 -1.09 -2.61 117.98 110.20 3i20 s PHE 94 Ca 0.60 1.16 -0.27 0.00 -0.05 0.00 0.00 56.93 58.37 3i20 s PHE 94 Cb -0.10 0.35 -0.13 0.00 -0.63 0.00 0.00 43.02 42.50 3i20 s PHE 94 CO 0.44 -0.29 0.99 1.19 -0.05 0.00 0.00 175.22 177.50 3i20 n PHE 95 N 3.74 1.18 -1.16 3.49 3.01 -1.26 -4.24 117.46 122.22 3i20 n PHE 95 Ca -0.18 0.67 -0.22 0.00 1.01 0.00 0.00 57.45 58.73 3i20 n PHE 95 Cb 0.58 -2.24 0.17 0.00 -0.01 0.00 0.00 39.48 37.98 3i20 n PHE 95 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i20 n LYS 96 N 0.61 -2.06 -3.78 -1.08 4.76 -0.97 -2.38 118.16 113.27 3i20 n LYS 96 Ca 0.09 -1.37 -0.31 0.00 -2.87 0.00 0.00 58.31 53.86 3i20 n LYS 96 Cb 0.34 -1.15 0.02 0.00 -1.84 0.00 0.00 35.03 32.41 3i20 n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3i20 n SER 97 N -4.14 -3.72 0.00 4.39 3.41 -1.26 -4.02 113.62 108.28 3i20 n SER 97 Ca 0.12 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 3i20 n SER 97 Cb 0.43 -3.20 0.00 0.00 -0.26 0.00 0.00 64.21 61.18 3i20 n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i20 n ASN 98 N -2.74 0.00 -1.52 4.04 6.94 -1.26 -4.94 115.26 115.79 3i20 n ASN 98 Ca -0.16 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.22 3i20 n ASN 98 Cb 0.62 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.98 3i20 n ASN 98 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3i20 n SER 99 N 0.00 -5.14 -0.02 0.53 2.88 -1.00 -4.86 113.62 106.01 3i20 n SER 99 Ca 0.00 0.32 0.02 0.00 -1.33 0.00 0.00 58.87 57.88 3i20 n SER 99 Cb 0.00 -4.20 0.35 0.00 -0.75 0.00 0.00 64.21 59.62 3i20 n SER 99 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3i20 h GLU 100 N 0.00 0.58 -1.57 -1.46 4.81 -1.88 -3.45 114.58 111.62 3i20 h GLU 100 Ca -0.38 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3i20 h GLU 100 Cb 1.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3i20 h GLU 100 CO 0.52 0.47 0.00 2.41 -0.73 0.00 0.00 179.01 181.68 3i20 n THR 101 N -4.39 -1.82 1.47 0.32 -1.04 -1.26 -4.96 114.28 102.60 3i20 n THR 101 Ca 0.03 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.18 3i20 n THR 101 Cb 0.13 -2.48 0.50 0.00 -1.82 0.00 0.00 70.33 66.66 3i20 n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43