#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b n ALA 2 N 0.00 2.30 0.00 0.00 0.00 -1.26 -4.92 120.51 116.63 3e1b n ALA 2 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3e1b n ALA 2 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3e1b n ALA 2 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3e1b n LYS 3 N -0.83 0.00 -2.70 0.00 2.85 -1.26 -4.87 118.16 111.35 3e1b n LYS 3 Ca 0.11 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.95 3e1b n LYS 3 Cb 0.05 -1.15 -0.02 0.00 -0.65 0.00 0.00 35.03 33.26 3e1b n LYS 3 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3e1b s ILE 4 N -0.19 4.73 -0.42 0.58 1.09 -1.26 -0.95 121.20 124.77 3e1b s ILE 4 Ca 0.00 1.97 0.02 0.00 -1.10 0.00 0.00 60.65 61.53 3e1b s ILE 4 Cb 0.00 -4.28 0.14 0.00 -1.06 0.00 0.00 42.46 37.26 3e1b s ILE 4 CO 0.00 -0.12 0.24 -0.60 -0.10 0.00 0.00 174.94 174.37 3e1b s ARG 5 N 2.85 1.10 0.00 2.79 3.00 -1.26 -5.00 118.95 122.43 3e1b s ARG 5 Ca 0.44 -1.87 0.00 0.00 -1.00 0.00 0.00 55.73 53.30 3e1b s ARG 5 Cb -0.16 -2.03 0.00 0.00 0.00 0.00 0.00 34.95 32.76 3e1b s ARG 5 CO 0.09 -1.19 0.00 -2.13 0.00 0.00 0.00 175.30 172.07 3e1b n ARG 6 N 3.59 -1.06 -0.01 5.12 0.63 -1.26 -4.26 116.66 119.41 3e1b n ARG 6 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3e1b n ARG 6 Cb 0.36 -1.73 -0.03 0.00 0.45 0.00 0.00 32.46 31.52 3e1b n ARG 6 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3e1b n ASP 7 N -0.07 4.13 -4.75 6.15 9.92 -1.26 -4.66 116.55 126.02 3e1b n ASP 7 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 3e1b n ASP 7 Cb 0.09 0.90 0.15 0.00 -0.64 0.00 0.00 41.12 41.62 3e1b n ASP 7 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3e1b s ASP 8 N -2.91 3.21 -0.21 -2.24 1.47 -1.26 -1.40 116.67 113.33 3e1b s ASP 8 Ca -0.02 1.05 -0.00 0.00 1.18 0.00 0.00 52.55 54.76 3e1b s ASP 8 Cb 0.02 -1.66 0.02 0.00 -0.34 0.00 0.00 42.92 40.96 3e1b s ASP 8 CO 0.15 -2.75 -0.13 -0.70 0.68 0.00 0.00 175.17 172.42 3e1b s GLU 9 N -5.17 2.92 0.42 2.11 2.12 -1.26 -1.79 118.70 118.06 3e1b s GLU 9 Ca 0.64 -0.90 0.05 0.00 0.36 0.00 0.00 54.97 55.13 3e1b s GLU 9 Cb -0.16 -2.77 -0.06 0.00 0.26 0.00 0.00 34.13 31.40 3e1b s GLU 9 CO 0.55 -0.29 0.02 0.14 -0.54 0.00 0.00 175.26 175.13 3e1b s VAL 10 N 1.30 1.63 0.08 3.70 -7.23 -0.67 -0.57 120.40 118.64 3e1b s VAL 10 Ca 0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3e1b s VAL 10 Cb -0.15 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 3e1b s VAL 10 CO -0.09 0.00 -0.06 0.27 -0.31 0.00 0.00 175.10 174.91 3e1b s ILE 11 N -2.85 0.55 -0.01 -0.62 -4.36 -1.26 -1.81 121.20 110.85 3e1b s ILE 11 Ca 0.28 -1.76 -0.26 0.00 -0.26 0.00 0.00 60.65 58.65 3e1b s ILE 11 Cb 0.07 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 3e1b s ILE 11 CO 0.14 -0.82 0.81 -0.69 0.24 0.00 0.00 174.94 174.61 3e1b s VAL 12 N -3.31 4.88 0.00 8.37 1.01 -0.28 -4.73 120.40 126.34 3e1b s VAL 12 Ca 0.07 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3e1b s VAL 12 Cb 0.03 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3e1b s VAL 12 CO -0.05 0.26 0.00 -0.11 0.00 0.00 0.00 175.10 175.20 3e1b n LEU 13 N 3.49 0.03 -1.59 3.92 7.94 -1.26 -0.03 117.00 129.50 3e1b n LEU 13 Ca 0.01 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.82 3e1b n LEU 13 Cb 0.51 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.59 3e1b n LEU 13 CO 0.49 0.01 0.86 0.41 -1.11 0.00 0.00 177.39 178.04 3e1b n THR 14 N -0.75 2.08 -3.90 1.96 -1.04 -1.26 -4.74 114.28 106.63 3e1b n THR 14 Ca 0.00 -1.01 -0.08 0.00 -2.04 0.00 0.00 64.05 60.92 3e1b n THR 14 Cb 0.03 -0.62 -0.03 0.00 -1.82 0.00 0.00 70.33 67.90 3e1b n THR 14 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3e1b s GLY 15 N -0.34 0.11 0.56 3.41 0.00 -1.26 -5.09 107.32 104.71 3e1b s GLY 15 Ca 0.32 -0.49 0.30 0.00 0.00 0.00 0.00 44.72 44.84 3e1b s GLY 15 CO 0.07 -0.25 1.90 1.70 0.00 0.00 0.00 173.10 176.52 3e1b h LYS 16 N 2.07 0.00 0.00 2.90 3.64 -1.98 -2.13 116.57 121.07 3e1b h LYS 16 Ca -0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3e1b h LYS 16 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3e1b h LYS 16 CO 0.27 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.20 3e1b n ASP 17 N -4.04 0.00 0.00 4.20 9.92 -1.26 -4.92 116.55 120.45 3e1b n ASP 17 Ca 0.13 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.21 3e1b n ASP 17 Cb 0.80 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 3e1b n ASP 17 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3e1b n LYS 18 N -0.71 0.00 0.00 -1.24 5.02 -0.80 -1.59 118.16 118.84 3e1b n LYS 18 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3e1b n LYS 18 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 3e1b n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e1b n GLY 19 N 0.00 1.55 3.60 0.72 0.00 0.96 -4.98 105.19 107.03 3e1b n GLY 19 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3e1b n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e1b n LYS 20 N 0.00 2.00 -5.16 1.61 5.02 -0.62 -4.69 118.16 116.32 3e1b n LYS 20 Ca 0.00 0.62 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 3e1b n LYS 20 Cb 0.00 -2.99 -0.15 0.00 -0.02 0.00 0.00 35.03 31.87 3e1b n LYS 20 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3e1b s ARG 21 N 5.71 2.41 -0.05 1.97 3.52 -1.26 -1.13 118.95 130.13 3e1b s ARG 21 Ca 0.99 -0.85 -0.31 0.00 -0.13 0.00 0.00 55.73 55.44 3e1b s ARG 21 Cb -0.49 -2.20 0.11 0.00 -1.56 0.00 0.00 34.95 30.82 3e1b s ARG 21 CO 0.41 0.50 1.10 0.20 -0.81 0.00 0.00 175.30 176.70 3e1b s GLY 22 N -0.45 -0.36 0.42 8.12 0.00 -0.75 -4.95 107.32 109.36 3e1b s GLY 22 Ca 0.05 1.00 0.06 0.00 0.00 0.00 0.00 44.72 45.84 3e1b s GLY 22 CO 0.01 0.30 0.02 -1.59 0.00 0.00 0.00 173.10 171.85 3e1b s LYS 23 N -2.75 2.01 0.00 2.90 -2.85 -1.26 -1.67 119.74 116.12 3e1b s LYS 23 Ca 0.10 -2.13 0.00 0.00 -1.00 0.00 0.00 55.97 52.94 3e1b s LYS 23 Cb 0.00 -1.65 0.00 0.00 -2.06 0.00 0.00 37.83 34.12 3e1b s LYS 23 CO -0.04 -0.10 0.00 1.33 0.10 0.00 0.00 175.35 176.64 3e1b n VAL 24 N -1.03 0.00 -2.06 1.79 0.24 -0.49 -4.80 118.33 111.98 3e1b n VAL 24 Ca -0.07 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.29 3e1b n VAL 24 Cb 0.67 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.02 3e1b n VAL 24 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3e1b n LYS 25 N 0.00 -0.88 -3.97 7.34 4.01 -1.24 -4.19 118.16 119.23 3e1b n LYS 25 Ca 0.00 0.58 -0.29 0.00 -0.51 0.00 0.00 58.31 58.09 3e1b n LYS 25 Cb 0.00 -1.07 -0.16 0.00 -0.51 0.00 0.00 35.03 33.28 3e1b n LYS 25 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3e1b s ASN 26 N -4.28 2.69 -0.20 4.39 3.84 -1.26 -5.03 114.94 115.08 3e1b s ASN 26 Ca 0.00 -0.52 -0.00 0.00 0.21 0.00 0.00 52.86 52.54 3e1b s ASN 26 Cb 0.00 -1.07 0.02 0.00 -0.55 0.00 0.00 41.25 39.65 3e1b s ASN 26 CO 0.00 -0.10 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.38 3e1b s VAL 27 N 1.55 2.43 0.03 -5.21 1.01 -1.26 -4.57 120.40 114.39 3e1b s VAL 27 Ca 0.04 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 3e1b s VAL 27 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3e1b s VAL 27 CO -0.09 0.43 0.11 -0.22 0.00 0.00 0.00 175.10 175.32 3e1b s LEU 28 N 1.32 1.73 -0.58 3.92 2.96 -1.26 -5.08 118.68 121.68 3e1b s LEU 28 Ca 0.03 -0.48 -0.37 0.00 -0.22 0.00 0.00 54.13 53.09 3e1b s LEU 28 Cb -0.14 0.65 -0.17 0.00 0.50 0.00 0.00 46.19 47.03 3e1b s LEU 28 CO -0.09 -0.50 2.31 -1.54 -1.32 0.00 0.00 176.35 175.21 3e1b n SER 29 N 0.84 1.11 -0.65 3.68 3.41 -1.26 -0.56 113.62 120.18 3e1b n SER 29 Ca -0.19 0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 3e1b n SER 29 Cb 0.58 -1.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 3e1b n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3e1b n SER 30 N 9.46 -5.40 -4.74 4.04 7.64 -1.26 -5.01 113.62 118.35 3e1b n SER 30 Ca 0.53 0.21 -0.38 0.00 1.01 0.00 0.00 58.87 60.24 3e1b n SER 30 Cb 0.09 -3.65 0.05 0.00 -1.01 0.00 0.00 64.21 59.69 3e1b n SER 30 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3e1b s GLY 31 N -2.38 2.88 0.00 0.23 0.00 0.27 -5.00 107.32 103.32 3e1b s GLY 31 Ca 0.00 1.31 0.14 0.00 0.00 0.00 0.00 44.72 46.17 3e1b s GLY 31 CO 0.00 1.80 1.34 0.28 0.00 0.00 0.00 173.10 176.52 3e1b n LYS 32 N -1.32 1.98 -3.14 2.90 5.02 -1.26 -4.70 118.16 117.63 3e1b n LYS 32 Ca 0.12 -1.52 -0.13 0.00 -2.02 0.00 0.00 58.31 54.77 3e1b n LYS 32 Cb 0.46 -1.34 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 3e1b n LYS 32 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3e1b n VAL 33 N 0.73 -5.94 1.53 -0.18 0.31 -1.26 -1.53 118.33 111.99 3e1b n VAL 33 Ca 0.15 0.71 0.02 0.00 -0.01 0.00 0.00 64.34 65.21 3e1b n VAL 33 Cb 0.36 -4.59 0.14 0.00 -0.91 0.00 0.00 33.84 28.84 3e1b n VAL 33 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3e1b n ILE 34 N 0.51 0.00 0.00 2.52 -0.00 -1.26 -4.04 119.36 117.09 3e1b n ILE 34 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 3e1b n ILE 34 Cb 0.45 -0.21 0.00 0.00 -0.00 0.00 0.00 39.64 39.88 3e1b n ILE 34 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 3e1b n VAL 35 N -0.60 0.00 -0.94 7.28 0.31 -1.26 -0.83 118.33 122.29 3e1b n VAL 35 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3e1b n VAL 35 Cb 0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 3e1b n VAL 35 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3e1b n GLU 36 N 0.00 0.00 0.00 5.55 0.28 -1.26 -3.66 120.64 121.55 3e1b n GLU 36 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3e1b n GLU 36 Cb 0.00 -0.41 0.00 0.00 1.43 0.00 0.00 31.44 32.46 3e1b n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3e1b n GLY 37 N 0.00 0.62 0.05 -1.84 0.00 -0.01 -5.06 105.19 98.94 3e1b n GLY 37 Ca 0.00 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.43 3e1b n GLY 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3e1b n ILE 38 N 0.00 0.01 -1.43 -0.61 -0.00 -1.23 -4.40 119.36 111.70 3e1b n ILE 38 Ca 0.00 -0.03 -0.32 0.00 -0.00 0.00 0.00 62.75 62.40 3e1b n ILE 38 Cb 0.00 -0.34 0.08 0.00 -0.00 0.00 0.00 39.64 39.38 3e1b n ILE 38 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 3e1b s ASN 39 N -1.85 4.51 0.08 7.28 3.84 -1.26 -4.94 114.94 122.59 3e1b s ASN 39 Ca 0.40 2.03 0.00 0.00 0.21 0.00 0.00 52.86 55.51 3e1b s ASN 39 Cb 0.19 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 3e1b s ASN 39 CO 0.32 -2.04 0.00 -0.11 -2.79 0.00 0.00 177.10 172.48 3e1b n LEU 40 N -3.01 0.00 -3.25 3.21 7.94 -1.26 -2.93 117.00 117.69 3e1b n LEU 40 Ca 0.11 0.13 -0.24 0.00 -1.11 0.00 0.00 56.01 54.90 3e1b n LEU 40 Cb 0.52 0.09 -0.08 0.00 0.53 0.00 0.00 43.42 44.48 3e1b n LEU 40 CO 0.50 -0.53 -0.26 0.55 -1.11 0.00 0.00 177.39 176.53 3e1b n VAL 41 N -2.85 -0.91 -3.69 1.96 3.14 -1.22 -4.46 118.33 110.31 3e1b n VAL 41 Ca 0.00 -3.38 -0.26 0.00 -2.96 0.00 0.00 64.34 57.74 3e1b n VAL 41 Cb 0.05 -1.44 -0.17 0.00 -1.06 0.00 0.00 33.84 31.22 3e1b n VAL 41 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3e1b s LYS 42 N -0.28 0.39 0.76 1.45 1.02 0.14 -5.03 119.74 118.19 3e1b s LYS 42 Ca 0.33 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.95 3e1b s LYS 42 Cb 0.09 -1.80 -0.14 0.00 -0.52 0.00 0.00 37.83 35.46 3e1b s LYS 42 CO -0.16 -0.60 -0.94 0.36 -0.92 0.00 0.00 175.35 173.09 3e1b n LYS 43 N 5.16 0.00 -4.13 1.68 2.85 -1.26 -4.12 118.16 118.34 3e1b n LYS 43 Ca -0.08 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.06 3e1b n LYS 43 Cb 0.48 -0.76 -0.11 0.00 -0.65 0.00 0.00 35.03 33.99 3e1b n LYS 43 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3e1b s HIS 44 N -1.53 0.86 0.39 5.58 3.76 -0.92 -4.73 115.29 118.70 3e1b s HIS 44 Ca 0.29 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 3e1b s HIS 44 Cb -0.01 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 3e1b s HIS 44 CO 0.56 -0.08 0.60 -0.65 -0.85 0.00 0.00 174.74 174.32 3e1b s GLN 45 N -2.62 3.27 -0.55 1.40 -1.52 -1.26 -4.86 119.66 113.51 3e1b s GLN 45 Ca 0.01 -0.46 0.06 0.00 -1.95 0.00 0.00 55.36 53.02 3e1b s GLN 45 Cb -0.03 -2.63 0.34 0.00 -0.22 0.00 0.00 33.01 30.47 3e1b s GLN 45 CO -0.01 -0.04 0.92 1.63 -0.25 0.00 0.00 175.29 177.53 3e1b n LYS 46 N -1.90 2.92 0.00 2.91 4.76 -1.26 -4.00 118.16 121.59 3e1b n LYS 46 Ca -0.02 -4.66 0.00 0.00 -2.87 0.00 0.00 58.31 50.76 3e1b n LYS 46 Cb 0.57 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 3e1b n LYS 46 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3e1b n PRO 47 N -0.15 0.70 -3.50 1.97 -0.04 -1.26 -4.61 135.00 128.11 3e1b n PRO 47 Ca 0.30 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.60 3e1b n PRO 47 Cb 0.43 -1.13 -0.12 0.00 -0.04 0.00 0.00 33.50 32.64 3e1b n PRO 47 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3e1b s VAL 48 N -1.64 -0.39 -2.00 0.52 0.11 -1.26 -5.03 120.40 110.71 3e1b s VAL 48 Ca 0.00 -0.03 0.22 0.00 -2.93 0.00 0.00 61.98 59.24 3e1b s VAL 48 Cb 0.00 -0.66 0.63 0.00 -1.53 0.00 0.00 36.38 34.83 3e1b s VAL 48 CO 0.00 -0.13 1.85 -0.81 -3.33 0.00 0.00 175.10 172.68 3e1b n PRO 49 N 5.33 0.98 -1.10 1.54 -0.04 -1.26 -4.41 135.00 136.04 3e1b n PRO 49 Ca -0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.22 3e1b n PRO 49 Cb 0.50 -1.35 0.13 0.00 -0.04 0.00 0.00 33.50 32.74 3e1b n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3e1b n ALA 50 N -0.85 -1.14 0.17 0.55 0.00 -1.26 -4.98 120.51 113.00 3e1b n ALA 50 Ca 0.17 -1.07 0.04 0.00 0.00 0.00 0.00 53.44 52.57 3e1b n ALA 50 Cb 0.08 -0.06 0.28 0.00 0.00 0.00 0.00 19.45 19.75 3e1b n ALA 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3e1b h LEU 51 N 0.00 0.00 -0.24 0.00 -0.00 -2.07 -3.23 115.31 109.77 3e1b h LEU 51 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 3e1b h LEU 51 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 3e1b h LEU 51 CO 0.19 0.44 0.00 -0.46 -0.00 0.00 0.00 178.44 178.61 3e1b n ASN 52 N -3.61 0.63 -0.03 -0.43 6.94 -1.26 -4.94 115.26 112.57 3e1b n ASN 52 Ca -0.00 0.59 0.00 0.00 -0.02 0.00 0.00 54.58 55.15 3e1b n ASN 52 Cb 0.54 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 3e1b n ASN 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3e1b n GLN 53 N -2.13 0.00 -1.52 -3.83 6.02 -1.22 -4.52 117.38 110.18 3e1b n GLN 53 Ca 0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.69 3e1b n GLN 53 Cb 0.34 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.49 3e1b n GLN 53 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3e1b n PRO 54 N 0.06 0.41 -0.06 -1.09 -0.02 -1.26 -4.86 135.00 128.19 3e1b n PRO 54 Ca 0.00 -0.09 0.01 0.00 -2.02 0.00 0.00 63.50 61.40 3e1b n PRO 54 Cb 0.00 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.19 3e1b n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e1b n GLY 55 N 6.24 0.39 3.67 -1.23 0.00 -1.26 -4.40 105.19 108.60 3e1b n GLY 55 Ca 0.54 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 3e1b n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3e1b s GLY 56 N -0.58 1.61 0.00 -0.02 0.00 -1.26 -4.93 107.32 102.14 3e1b s GLY 56 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.76 3e1b s GLY 56 CO 0.03 0.51 0.01 4.51 0.00 0.00 0.00 173.10 178.16 3e1b n ILE 57 N -4.13 0.00 -4.18 0.90 3.06 -1.26 -2.18 119.36 111.57 3e1b n ILE 57 Ca 0.07 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.21 3e1b n ILE 57 Cb 0.55 0.06 -0.10 0.00 0.54 0.00 0.00 39.64 40.69 3e1b n ILE 57 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3e1b s VAL 58 N 0.00 0.29 0.00 9.51 0.11 -1.26 -0.69 120.40 128.37 3e1b s VAL 58 Ca 0.00 -1.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.11 3e1b s VAL 58 Cb 0.00 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 3e1b s VAL 58 CO 0.00 -0.45 0.00 -0.62 -3.33 0.00 0.00 175.10 170.70 3e1b n GLU 59 N -0.15 0.00 -1.60 1.54 1.02 -1.15 -4.92 120.64 115.37 3e1b n GLU 59 Ca -0.06 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.68 3e1b n GLU 59 Cb 0.64 -1.70 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 3e1b n GLU 59 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3e1b n LYS 60 N -0.09 1.20 0.00 3.49 2.85 -1.26 -4.08 118.16 120.27 3e1b n LYS 60 Ca 0.00 0.44 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 3e1b n LYS 60 Cb 0.00 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.32 3e1b n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3e1b n GLU 61 N -0.17 0.00 -2.00 -1.58 2.13 -1.26 -4.65 120.64 113.10 3e1b n GLU 61 Ca 0.10 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.53 3e1b n GLU 61 Cb 0.42 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.10 3e1b n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3e1b s ALA 62 N 0.00 2.31 0.24 4.31 0.00 -1.26 -4.97 121.76 122.40 3e1b s ALA 62 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 3e1b s ALA 62 Cb 0.00 -4.23 -0.09 0.00 0.00 0.00 0.00 23.12 18.80 3e1b s ALA 62 CO 0.00 -3.62 1.13 0.00 0.00 0.00 0.00 175.76 173.27 3e1b s ALA 63 N 8.73 3.41 -0.49 0.00 0.00 -1.26 -4.30 121.76 127.85 3e1b s ALA 63 Ca 0.72 0.91 0.06 0.00 0.00 0.00 0.00 51.96 53.65 3e1b s ALA 63 Cb -0.15 -3.36 0.24 0.00 0.00 0.00 0.00 23.12 19.85 3e1b s ALA 63 CO 0.24 -0.23 0.89 1.51 0.00 0.00 0.00 175.76 178.17 3e1b n ILE 64 N 1.66 -0.00 -1.26 0.00 0.13 -0.58 -5.04 119.36 114.26 3e1b n ILE 64 Ca 0.01 -1.51 -0.37 0.00 -1.10 0.00 0.00 62.75 59.78 3e1b n ILE 64 Cb 0.45 1.49 0.06 0.00 -0.84 0.00 0.00 39.64 40.79 3e1b n ILE 64 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3e1b n GLN 65 N 1.64 0.26 0.00 9.51 6.02 -1.13 -4.41 117.38 129.28 3e1b n GLN 65 Ca 0.09 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3e1b n GLN 65 Cb 0.63 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3e1b n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3e1b n VAL 66 N -2.21 0.00 0.00 5.09 0.31 -1.26 -4.44 118.33 115.82 3e1b n VAL 66 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3e1b n VAL 66 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 3e1b n VAL 66 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3e1b n SER 67 N 2.34 0.00 -0.09 4.52 2.88 -1.26 -5.02 113.62 116.98 3e1b n SER 67 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 3e1b n SER 67 Cb 0.00 0.00 0.82 0.00 -0.75 0.00 0.00 64.21 64.28 3e1b n SER 67 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3e1b n ASN 68 N 0.00 0.31 -3.67 -3.46 3.02 -1.26 -4.86 115.26 105.34 3e1b n ASN 68 Ca 0.00 -0.93 -0.24 0.00 -0.03 0.00 0.00 54.58 53.38 3e1b n ASN 68 Cb 0.00 -0.04 -0.17 0.00 -0.61 0.00 0.00 39.78 38.96 3e1b n ASN 68 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3e1b s VAL 69 N -2.12 0.04 -0.02 2.41 1.01 -1.26 -4.87 120.40 115.59 3e1b s VAL 69 Ca 0.42 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 3e1b s VAL 69 Cb 0.21 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 3e1b s VAL 69 CO 0.39 -0.04 2.00 0.00 0.00 0.00 0.00 175.10 177.45 3e1b n ALA 70 N 5.24 1.52 -0.53 5.51 0.00 -0.10 -4.73 120.51 127.42 3e1b n ALA 70 Ca -0.06 0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 3e1b n ALA 70 Cb 0.49 -2.69 -0.03 0.00 0.00 0.00 0.00 19.45 17.22 3e1b n ALA 70 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3e1b n ILE 71 N 5.83 0.00 0.14 0.00 -5.35 -1.26 -4.35 119.36 114.36 3e1b n ILE 71 Ca 0.22 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.56 3e1b n ILE 71 Cb 0.40 -0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.14 3e1b n ILE 71 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3e1b h PHE 72 N 1.32 -1.06 0.00 4.28 3.57 -1.12 -3.45 116.94 120.47 3e1b h PHE 72 Ca -0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3e1b h PHE 72 Cb 0.45 0.44 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3e1b h PHE 72 CO 0.20 -0.50 0.00 0.27 -2.23 0.00 0.00 178.31 176.05 3e1b n ASN 73 N -5.46 0.00 0.00 0.41 6.94 -1.26 -2.68 115.26 113.21 3e1b n ASN 73 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 3e1b n ASN 73 Cb 0.37 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 3e1b n ASN 73 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3e1b n ALA 74 N 0.00 1.37 0.07 -2.53 0.00 -1.26 -5.10 120.51 113.07 3e1b n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e1b n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e1b n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 75 N -1.13 1.14 -2.93 0.00 0.00 -1.09 -5.18 120.51 111.31 3e1b n ALA 75 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3e1b n ALA 75 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 3e1b n ALA 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3e1b s THR 76 N -2.00 1.00 -0.45 0.00 2.01 -1.26 -5.08 115.64 109.86 3e1b s THR 76 Ca 0.00 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.56 3e1b s THR 76 Cb 0.00 -0.87 0.36 0.00 0.01 0.00 0.00 72.50 72.00 3e1b s THR 76 CO 0.00 0.30 1.25 0.61 -0.69 0.00 0.00 174.62 176.09 3e1b n GLY 77 N 3.17 2.65 3.52 4.40 0.00 -1.26 -4.65 105.19 113.01 3e1b n GLY 77 Ca -0.18 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 3e1b n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1b s LYS 78 N -1.72 1.55 -0.16 1.61 -2.85 -1.26 -0.92 119.74 115.99 3e1b s LYS 78 Ca 0.27 -1.38 -0.29 0.00 -1.00 0.00 0.00 55.97 53.56 3e1b s LYS 78 Cb 0.21 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.41 3e1b s LYS 78 CO 0.07 -0.63 1.12 0.00 0.10 0.00 0.00 175.35 176.00 3e1b s ALA 79 N -3.88 3.59 0.06 0.59 0.00 -1.26 -4.22 121.76 116.63 3e1b s ALA 79 Ca 0.26 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.44 3e1b s ALA 79 Cb 0.01 -3.54 -0.24 0.00 0.00 0.00 0.00 23.12 19.35 3e1b s ALA 79 CO 0.11 -0.93 1.16 0.22 0.00 0.00 0.00 175.76 176.32 3e1b h ASP 80 N 7.56 0.82 -0.43 0.00 3.58 -1.94 -3.32 116.42 122.70 3e1b h ASP 80 Ca -0.26 -0.75 0.08 0.00 0.42 0.00 0.00 57.03 56.52 3e1b h ASP 80 Cb 1.11 -0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.84 3e1b h ASP 80 CO 0.93 1.47 0.01 -0.09 -2.88 0.00 0.00 179.24 178.68 3e1b h ARG 81 N 0.26 0.12 -2.92 0.28 2.43 -1.98 -3.46 114.38 109.11 3e1b h ARG 81 Ca -0.12 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.70 3e1b h ARG 81 Cb 1.62 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.11 3e1b h ARG 81 CO 0.19 0.08 0.80 0.28 -1.51 0.00 0.00 179.97 179.80 3e1b n VAL 82 N -5.20 0.00 -0.17 0.20 0.31 -1.26 -4.93 118.33 107.28 3e1b n VAL 82 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 3e1b n VAL 82 Cb 0.23 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 3e1b n VAL 82 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3e1b h GLY 83 N 5.45 1.01 0.00 2.92 0.00 -1.95 -3.48 103.07 107.02 3e1b h GLY 83 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.49 3e1b h GLY 83 CO 0.65 0.74 0.00 0.33 0.00 0.00 0.00 176.54 178.25 3e1b n PHE 84 N -4.24 -0.69 -4.21 5.60 7.35 -1.26 -4.87 117.46 115.14 3e1b n PHE 84 Ca 0.01 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.56 3e1b n PHE 84 Cb 0.37 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.11 3e1b n PHE 84 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3e1b s ARG 85 N 0.00 1.42 -0.34 -4.13 1.70 -1.26 -5.12 118.95 111.22 3e1b s ARG 85 Ca 0.00 -1.74 -0.38 0.00 -0.47 0.00 0.00 55.73 53.15 3e1b s ARG 85 Cb 0.00 0.30 -0.13 0.00 -0.57 0.00 0.00 34.95 34.55 3e1b s ARG 85 CO 0.00 -0.50 2.05 1.97 -1.08 0.00 0.00 175.30 177.75 3e1b n PHE 86 N -0.40 1.70 0.00 5.89 -1.74 -1.26 -4.83 117.46 116.82 3e1b n PHE 86 Ca 0.04 0.40 0.00 0.00 -0.56 0.00 0.00 57.45 57.32 3e1b n PHE 86 Cb 0.64 -2.49 0.00 0.00 1.52 0.00 0.00 39.48 39.16 3e1b n PHE 86 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 3e1b n GLU 87 N 7.31 0.82 0.00 3.97 4.07 -1.26 -4.98 120.64 130.57 3e1b n GLU 87 Ca 0.38 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 3e1b n GLU 87 Cb 0.17 -0.68 0.00 0.00 -0.06 0.00 0.00 31.44 30.87 3e1b n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3e1b n ASP 88 N -1.38 1.64 0.00 4.31 8.00 -1.25 -5.05 116.55 122.82 3e1b n ASP 88 Ca 0.00 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.19 3e1b n ASP 88 Cb 0.18 0.94 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 3e1b n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3e1b n GLY 89 N 1.43 2.95 0.00 0.44 0.00 -1.26 -4.59 105.19 104.16 3e1b n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1b n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3e1b n LYS 90 N -2.00 0.13 -3.90 1.61 2.85 -1.26 -5.12 118.16 110.47 3e1b n LYS 90 Ca 0.00 -0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 57.14 3e1b n LYS 90 Cb 0.00 -0.35 -0.00 0.00 -0.65 0.00 0.00 35.03 34.03 3e1b n LYS 90 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3e1b s LYS 91 N -0.02 2.08 -0.08 -1.58 -2.85 -1.26 -5.18 119.74 110.84 3e1b s LYS 91 Ca 0.00 -1.48 -0.03 0.00 -1.00 0.00 0.00 55.97 53.45 3e1b s LYS 91 Cb 0.00 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.38 3e1b s LYS 91 CO 0.00 -0.94 0.17 0.08 0.10 0.00 0.00 175.35 174.76 3e1b s VAL 92 N -2.73 -0.10 -0.18 1.79 1.01 -1.26 -3.96 120.40 114.97 3e1b s VAL 92 Ca 0.20 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 3e1b s VAL 92 Cb -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3e1b s VAL 92 CO 0.13 0.09 0.09 0.00 0.00 0.00 0.00 175.10 175.41 3e1b s ARG 93 N 1.42 3.94 0.33 2.72 1.70 -1.26 -4.67 118.95 123.14 3e1b s ARG 93 Ca -0.07 -0.29 0.09 0.00 -0.47 0.00 0.00 55.73 54.99 3e1b s ARG 93 Cb -0.11 -3.25 -0.06 0.00 -0.57 0.00 0.00 34.95 30.95 3e1b s ARG 93 CO -0.07 0.35 -0.10 0.12 -1.08 0.00 0.00 175.30 174.53 3e1b s PHE 94 N 0.18 2.33 0.00 5.89 5.36 -0.13 -4.81 117.98 126.80 3e1b s PHE 94 Ca 0.06 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.51 3e1b s PHE 94 Cb -0.12 -1.32 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 3e1b s PHE 94 CO -0.00 0.55 0.00 0.34 -1.46 0.00 0.00 175.22 174.65 3e1b n PHE 95 N -0.75 0.00 -3.61 10.12 -0.00 -1.26 -4.47 117.46 117.48 3e1b n PHE 95 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.32 3e1b n PHE 95 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.09 3e1b n PHE 95 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 3e1b s LYS 96 N 0.00 1.27 0.42 -4.13 -2.85 -1.26 -4.47 119.74 108.72 3e1b s LYS 96 Ca 0.00 -0.59 0.26 0.00 -1.00 0.00 0.00 55.97 54.65 3e1b s LYS 96 Cb 0.00 0.51 1.33 0.00 -2.06 0.00 0.00 37.83 37.61 3e1b s LYS 96 CO 0.00 -0.57 1.66 0.66 0.10 0.00 0.00 175.35 177.20 3e1b h SER 97 N 2.00 0.30 0.71 0.03 4.64 -1.73 -1.94 113.55 117.56 3e1b h SER 97 Ca -0.26 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3e1b h SER 97 Cb 1.26 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3e1b h SER 97 CO 0.30 -0.11 -0.77 -0.46 -0.87 0.00 0.00 176.83 174.91 3e1b n ASN 98 N -4.69 0.66 -3.17 4.97 6.94 -1.26 -4.77 115.26 113.94 3e1b n ASN 98 Ca 0.34 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.68 3e1b n ASN 98 Cb 1.27 0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 39.02 3e1b n ASN 98 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3e1b n SER 99 N -2.06 -0.48 0.00 0.53 3.41 -0.73 -5.08 113.62 109.21 3e1b n SER 99 Ca 0.03 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 3e1b n SER 99 Cb 0.44 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3e1b n SER 99 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3e1b n GLU 100 N 1.83 0.00 -1.99 4.33 -0.58 -1.26 -4.42 120.64 118.54 3e1b n GLU 100 Ca 0.22 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.94 3e1b n GLU 100 Cb 0.53 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.40 3e1b n GLU 100 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3e1b n THR 101 N 0.00 0.00 1.66 2.62 5.66 -1.26 -4.52 114.28 118.44 3e1b n THR 101 Ca 0.00 -0.16 0.15 0.00 -3.05 0.00 0.00 64.05 60.99 3e1b n THR 101 Cb 0.00 0.09 0.66 0.00 -1.55 0.00 0.00 70.33 69.53 3e1b n THR 101 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02