#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n ILE 2 N 0.00 0.00 -3.96 2.02 -0.00 -1.26 -5.06 119.36 111.11 3i20 n ILE 2 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.54 3i20 n ILE 2 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 39.64 39.47 3i20 n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i20 s ARG 3 N -1.00 0.63 0.46 6.28 1.70 -1.26 -5.13 118.95 120.63 3i20 s ARG 3 Ca 0.00 0.02 -0.25 0.00 -0.47 0.00 0.00 55.73 55.03 3i20 s ARG 3 Cb 0.00 -0.82 -0.08 0.00 -0.57 0.00 0.00 34.95 33.48 3i20 s ARG 3 CO 0.00 -0.18 1.43 -1.91 -1.08 0.00 0.00 175.30 173.56 3i20 n GLU 4 N 4.50 2.21 -0.35 3.89 0.00 -1.26 -4.86 120.64 124.77 3i20 n GLU 4 Ca -0.18 0.79 0.25 0.00 0.00 0.00 0.00 57.16 58.02 3i20 n GLU 4 Cb 0.50 -2.63 0.53 0.00 0.00 0.00 0.00 31.44 29.84 3i20 n GLU 4 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3i20 h GLU 5 N 2.22 0.32 -0.25 5.31 4.81 -2.00 -2.06 114.58 122.94 3i20 h GLU 5 Ca -0.51 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.73 3i20 h GLU 5 Cb 1.27 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 3i20 h GLU 5 CO 0.61 0.21 -0.34 0.00 -0.73 0.00 0.00 179.01 178.76 3i20 h ARG 6 N 0.33 -0.23 0.00 1.92 3.08 -2.05 0.61 114.38 118.05 3i20 h ARG 6 Ca 0.66 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.73 3i20 h ARG 6 Cb 1.73 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.83 3i20 h ARG 6 CO -0.37 -0.15 0.04 -0.11 -1.07 0.00 0.00 179.97 178.31 3i20 n LEU 7 N -4.32 0.40 -1.71 3.04 7.94 -0.78 -3.16 117.00 118.41 3i20 n LEU 7 Ca -0.02 0.67 -0.03 0.00 -1.11 0.00 0.00 56.01 55.53 3i20 n LEU 7 Cb 0.20 -0.72 -0.04 0.00 0.53 0.00 0.00 43.42 43.40 3i20 n LEU 7 CO 0.00 -0.81 1.02 0.18 -1.11 0.00 0.00 177.39 176.67 3i20 n LEU 8 N -2.05 4.55 -2.01 -1.96 4.77 0.21 -3.42 117.00 117.10 3i20 n LEU 8 Ca -0.01 -2.26 -0.25 0.00 -0.03 0.00 0.00 56.01 53.46 3i20 n LEU 8 Cb 0.06 -1.03 0.07 0.00 -2.33 0.00 0.00 43.42 40.19 3i20 n LEU 8 CO 0.07 1.00 0.71 2.29 -1.33 0.00 0.00 177.39 180.13 3i20 n LYS 9 N 1.84 3.02 0.03 3.23 2.85 -1.19 -4.69 118.16 123.25 3i20 n LYS 9 Ca 0.10 -3.71 0.01 0.00 -1.05 0.00 0.00 58.31 53.66 3i20 n LYS 9 Cb 0.52 -2.22 -0.09 0.00 -0.65 0.00 0.00 35.03 32.60 3i20 n LYS 9 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3i20 n VAL 10 N -0.85 1.07 -2.38 0.58 0.24 -1.22 -4.73 118.33 111.04 3i20 n VAL 10 Ca 0.49 -0.68 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 3i20 n VAL 10 Cb 0.88 -0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 3i20 n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i20 s LEU 11 N -5.63 3.44 -0.20 1.34 1.43 -1.26 -1.09 118.68 116.70 3i20 s LEU 11 Ca -0.04 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3i20 s LEU 11 Cb 0.09 -3.14 -0.20 0.00 0.03 0.00 0.00 46.19 42.97 3i20 s LEU 11 CO 0.82 -1.66 0.06 0.54 0.23 0.00 0.00 176.35 176.34 3i20 n ARG 12 N 8.55 0.65 -3.62 1.70 5.12 -0.82 -4.96 116.66 123.28 3i20 n ARG 12 Ca 0.13 0.33 -0.04 0.00 -1.93 0.00 0.00 57.85 56.34 3i20 n ARG 12 Cb 0.49 -1.64 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 3i20 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i20 s ALA 13 N -2.49 -2.08 0.67 7.54 0.00 -0.37 -5.01 121.76 120.03 3i20 s ALA 13 Ca -0.30 1.76 -0.15 0.00 0.00 0.00 0.00 51.96 53.27 3i20 s ALA 13 Cb 0.08 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3i20 s ALA 13 CO 0.63 -0.39 1.12 -1.25 0.00 0.00 0.00 175.76 175.87 3i20 s PRO 14 N -1.57 2.69 -0.59 0.00 0.04 -1.26 0.80 135.00 135.11 3i20 s PRO 14 Ca 0.08 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.55 3i20 s PRO 14 Cb -0.01 -1.93 0.42 0.00 0.04 0.00 0.00 34.50 33.01 3i20 s PRO 14 CO -0.05 -1.34 1.64 1.58 0.04 0.00 0.00 177.00 178.87 3i20 n HIS 15 N -2.52 3.10 -1.49 0.56 -0.00 -0.31 -4.50 115.22 110.06 3i20 n HIS 15 Ca 0.11 -2.68 -0.14 0.00 0.46 0.00 0.00 57.72 55.47 3i20 n HIS 15 Cb 0.52 -0.83 -0.11 0.00 -0.12 0.00 0.00 29.99 29.45 3i20 n HIS 15 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3i20 n VAL 16 N -0.67 0.00 -3.64 3.57 0.31 -1.26 -4.71 118.33 111.93 3i20 n VAL 16 Ca 0.51 -0.39 -0.05 0.00 -0.01 0.00 0.00 64.34 64.40 3i20 n VAL 16 Cb 0.61 -1.33 -0.07 0.00 -0.91 0.00 0.00 33.84 32.14 3i20 n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i20 s SER 17 N 6.74 -0.64 0.27 4.52 0.01 -1.26 -5.12 113.70 118.21 3i20 s SER 17 Ca 0.89 1.07 0.00 0.00 1.31 0.00 0.00 55.95 59.22 3i20 s SER 17 Cb -0.26 1.23 0.00 0.00 0.21 0.00 0.00 66.02 67.20 3i20 s SER 17 CO 0.21 -0.17 0.00 1.21 0.41 0.00 0.00 173.24 174.89 3i20 n GLU 18 N 3.59 -2.85 -0.32 12.44 4.07 -1.26 -3.64 120.64 132.67 3i20 n GLU 18 Ca -0.18 2.09 0.29 0.00 -0.06 0.00 0.00 57.16 59.30 3i20 n GLU 18 Cb 0.58 -2.33 0.63 0.00 -0.06 0.00 0.00 31.44 30.25 3i20 n GLU 18 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 3i20 h LYS 19 N 1.35 0.19 -0.46 5.31 2.10 -1.99 -0.37 116.57 122.71 3i20 h LYS 19 Ca 0.00 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.68 3i20 h LYS 19 Cb 0.00 -0.04 -0.06 0.00 -0.90 0.00 0.00 32.23 31.23 3i20 h LYS 19 CO 0.00 0.13 -0.32 0.00 -2.00 0.00 0.00 179.45 177.26 3i20 h ALA 20 N 1.53 -0.37 0.54 0.07 0.00 -1.97 2.80 119.26 121.85 3i20 h ALA 20 Ca 0.59 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 3i20 h ALA 20 Cb 1.88 1.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.80 3i20 h ALA 20 CO -0.17 -0.58 -0.44 1.03 0.00 0.00 0.00 179.25 179.09 3i20 h SER 21 N -0.06 -1.16 0.36 0.00 0.87 -1.13 0.24 113.55 112.67 3i20 h SER 21 Ca 0.07 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 3i20 h SER 21 Cb 0.25 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3i20 h SER 21 CO -0.46 -0.61 -0.35 0.71 -0.53 0.00 0.00 176.83 175.58 3i20 h THR 22 N -0.95 1.25 -0.05 2.23 1.35 -1.26 0.63 112.91 116.12 3i20 h THR 22 Ca -0.07 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 64.56 3i20 h THR 22 Cb 0.79 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3i20 h THR 22 CO 0.00 0.35 -0.02 0.00 -0.25 0.00 0.00 175.52 175.60 3i20 h ALA 23 N 1.65 0.07 0.00 6.62 0.00 0.50 0.48 119.26 128.58 3i20 h ALA 23 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i20 h ALA 23 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i20 h ALA 23 CO 0.05 -0.21 0.00 -0.12 0.00 0.00 0.00 179.25 178.97 3i20 n MET 24 N -4.83 0.83 -0.01 0.00 1.56 0.85 -1.96 117.12 113.55 3i20 n MET 24 Ca -0.07 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.34 3i20 n MET 24 Cb 0.23 -1.35 -0.01 0.00 2.15 0.00 0.00 33.22 34.24 3i20 n MET 24 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3i20 n GLU 25 N 0.18 0.05 -0.79 2.12 4.07 0.12 -3.98 120.64 122.42 3i20 n GLU 25 Ca 0.00 0.02 -0.18 0.00 -0.06 0.00 0.00 57.16 56.94 3i20 n GLU 25 Cb 0.25 -0.85 -0.07 0.00 -0.06 0.00 0.00 31.44 30.71 3i20 n GLU 25 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3i20 n LYS 26 N -2.78 1.97 0.00 5.31 4.76 0.16 -2.78 118.16 124.80 3i20 n LYS 26 Ca -0.04 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.22 3i20 n LYS 26 Cb 0.53 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 3i20 n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i20 n SER 27 N 3.36 0.00 -0.90 4.39 2.88 -1.23 -4.92 113.62 117.20 3i20 n SER 27 Ca 0.42 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.04 3i20 n SER 27 Cb 0.39 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 3i20 n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3i20 n ASN 28 N 0.00 -5.39 -1.20 -3.46 0.23 -1.12 -4.77 115.26 99.56 3i20 n ASN 28 Ca 0.00 0.61 0.00 0.00 -0.53 0.00 0.00 54.58 54.66 3i20 n ASN 28 Cb 0.00 -1.80 0.00 0.00 -2.08 0.00 0.00 39.78 35.90 3i20 n ASN 28 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3i20 n THR 29 N -2.41 -1.04 -3.80 5.53 5.66 -1.26 -2.94 114.28 114.02 3i20 n THR 29 Ca 0.00 0.51 -0.14 0.00 -3.05 0.00 0.00 64.05 61.38 3i20 n THR 29 Cb 0.26 -0.83 -0.15 0.00 -1.55 0.00 0.00 70.33 68.06 3i20 n THR 29 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3i20 s ILE 30 N -4.36 -0.04 -0.03 1.09 2.07 -1.26 -3.48 121.20 115.20 3i20 s ILE 30 Ca 0.00 0.13 0.06 0.00 -1.41 0.00 0.00 60.65 59.43 3i20 s ILE 30 Cb 0.00 -0.11 -0.01 0.00 0.13 0.00 0.00 42.46 42.46 3i20 s ILE 30 CO 0.00 0.05 -0.22 0.54 -1.91 0.00 0.00 174.94 173.40 3i20 s VAL 31 N 0.70 1.77 -0.25 4.00 0.11 -1.26 -0.74 120.40 124.73 3i20 s VAL 31 Ca -0.06 -0.94 -0.26 0.00 -2.93 0.00 0.00 61.98 57.79 3i20 s VAL 31 Cb -0.08 -1.48 0.11 0.00 -1.53 0.00 0.00 36.38 33.40 3i20 s VAL 31 CO -0.03 0.50 0.95 -1.48 -3.33 0.00 0.00 175.10 171.71 3i20 s LEU 32 N -0.40 -0.51 0.11 2.54 2.34 -1.26 -1.16 118.68 120.34 3i20 s LEU 32 Ca 0.05 0.91 -0.33 0.00 0.06 0.00 0.00 54.13 54.82 3i20 s LEU 32 Cb -0.10 2.03 -0.13 0.00 -0.56 0.00 0.00 46.19 47.44 3i20 s LEU 32 CO 0.00 -0.22 1.69 1.17 -1.06 0.00 0.00 176.35 177.93 3i20 n LYS 33 N 2.04 2.31 -3.61 1.48 4.81 0.24 -2.53 118.16 122.89 3i20 n LYS 33 Ca -0.13 0.84 -0.23 0.00 -0.87 0.00 0.00 58.31 57.91 3i20 n LYS 33 Cb 0.56 -2.65 -0.17 0.00 0.02 0.00 0.00 35.03 32.80 3i20 n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3i20 s VAL 34 N 1.87 -0.13 0.00 3.15 -7.23 -1.16 -1.24 120.40 115.66 3i20 s VAL 34 Ca 0.82 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 3i20 s VAL 34 Cb -0.64 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 35.81 3i20 s VAL 34 CO 0.40 -0.16 0.00 0.00 -0.31 0.00 0.00 175.10 175.03 3i20 n ALA 35 N 5.29 0.00 -0.42 1.32 0.00 -0.25 -4.28 120.51 122.18 3i20 n ALA 35 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3i20 n ALA 35 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i20 n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i20 n LYS 36 N 8.35 0.72 -0.01 0.00 0.00 -1.26 -3.92 118.16 122.03 3i20 n LYS 36 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.30 3i20 n LYS 36 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 35.03 34.97 3i20 n LYS 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i20 n ASP 37 N 0.00 0.26 -0.10 3.14 10.43 -1.26 -4.93 116.55 124.10 3i20 n ASP 37 Ca 0.00 0.13 0.00 0.00 2.57 0.00 0.00 54.79 57.49 3i20 n ASP 37 Cb 0.00 -0.54 0.00 0.00 1.84 0.00 0.00 41.12 42.42 3i20 n ASP 37 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i20 n ALA 38 N -2.67 0.00 -1.23 2.24 0.00 -1.26 -4.86 120.51 112.74 3i20 n ALA 38 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i20 n ALA 38 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3i20 n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i20 n THR 39 N -0.20 0.00 0.00 0.00 -1.04 -1.26 -4.80 114.28 106.98 3i20 n THR 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i20 n THR 39 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i20 n THR 39 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i20 n LYS 40 N 0.00 0.00 -0.34 -2.82 5.02 -1.26 -4.00 118.16 114.76 3i20 n LYS 40 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 3i20 n LYS 40 Cb 0.29 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.62 3i20 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i20 h ALA 41 N 0.00 1.62 -0.05 7.82 0.00 -1.94 1.48 119.26 128.19 3i20 h ALA 41 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3i20 h ALA 41 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i20 h ALA 41 CO 0.00 -0.16 -0.71 1.49 0.00 0.00 0.00 179.25 179.87 3i20 h GLU 42 N 0.64 0.24 -0.00 0.00 4.81 -1.87 -2.33 114.58 116.06 3i20 h GLU 42 Ca 0.58 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3i20 h GLU 42 Cb 0.99 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3i20 h GLU 42 CO -0.43 0.85 -0.32 1.51 -0.73 0.00 0.00 179.01 179.89 3i20 n ILE 43 N -3.80 0.00 -0.06 2.32 3.06 -0.17 -2.89 119.36 117.83 3i20 n ILE 43 Ca -0.03 -0.07 -0.03 0.00 -2.50 0.00 0.00 62.75 60.12 3i20 n ILE 43 Cb 0.69 0.25 -0.02 0.00 0.54 0.00 0.00 39.64 41.10 3i20 n ILE 43 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i20 h LYS 44 N 0.64 0.00 -0.79 9.51 3.64 0.22 -3.22 116.57 126.58 3i20 h LYS 44 Ca 0.00 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.56 3i20 h LYS 44 Cb 0.49 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.17 3i20 h LYS 44 CO 0.00 0.11 -0.05 0.00 -2.27 0.00 0.00 179.45 177.24 3i20 h ALA 45 N -0.91 0.74 -0.45 5.00 0.00 -1.55 0.53 119.26 122.63 3i20 h ALA 45 Ca -0.01 0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3i20 h ALA 45 Cb 0.28 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3i20 h ALA 45 CO -0.01 -0.43 0.12 0.00 0.00 0.00 0.00 179.25 178.93 3i20 h ALA 46 N 1.76 0.51 0.00 0.00 0.00 -1.65 0.61 119.26 120.49 3i20 h ALA 46 Ca 0.42 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3i20 h ALA 46 Cb 0.73 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i20 h ALA 46 CO -0.73 -0.28 0.00 0.28 0.00 0.00 0.00 179.25 178.52 3i20 h VAL 47 N 0.27 0.00 0.00 0.00 2.07 -1.11 -2.76 116.25 114.72 3i20 h VAL 47 Ca 0.22 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3i20 h VAL 47 Cb 0.25 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3i20 h VAL 47 CO -0.25 0.00 -0.00 1.56 0.02 0.00 0.00 177.57 178.89 3i20 h GLN 48 N 0.00 -0.00 0.00 1.57 1.08 0.12 -3.28 115.11 114.59 3i20 h GLN 48 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i20 h GLN 48 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3i20 h GLN 48 CO 0.00 -0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.51 3i20 n LYS 49 N -2.04 0.00 -1.25 1.46 4.76 -0.75 -2.16 118.16 118.19 3i20 n LYS 49 Ca -0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 3i20 n LYS 49 Cb 0.00 -0.41 0.07 0.00 -1.84 0.00 0.00 35.03 32.85 3i20 n LYS 49 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i20 n LEU 50 N 0.00 1.06 0.00 -0.35 4.32 -1.04 -0.87 117.00 120.12 3i20 n LEU 50 Ca 0.00 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 3i20 n LEU 50 Cb 0.00 -1.24 0.00 0.00 -1.62 0.00 0.00 43.42 40.56 3i20 n LEU 50 CO 0.00 -3.02 0.00 0.49 -1.22 0.00 0.00 177.39 173.64 3i20 n PHE 51 N -2.46 0.00 -4.02 -1.77 3.01 -1.26 -4.21 117.46 106.75 3i20 n PHE 51 Ca 0.10 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.18 3i20 n PHE 51 Cb 0.50 -0.24 -0.00 0.00 -0.01 0.00 0.00 39.48 39.73 3i20 n PHE 51 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3i20 n GLU 52 N -1.73 -0.98 -2.20 -1.08 0.28 -0.05 -4.88 120.64 109.99 3i20 n GLU 52 Ca 0.00 0.20 -0.02 0.00 -0.16 0.00 0.00 57.16 57.18 3i20 n GLU 52 Cb 0.00 -3.33 -0.01 0.00 1.43 0.00 0.00 31.44 29.54 3i20 n GLU 52 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3i20 n VAL 53 N -4.70 0.00 -0.09 3.84 0.24 -1.23 -4.97 118.33 111.41 3i20 n VAL 53 Ca -0.17 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.34 61.77 3i20 n VAL 53 Cb 0.61 0.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 3i20 n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i20 n GLU 54 N -0.07 0.52 -1.58 7.34 -0.58 -1.26 -4.63 120.64 120.38 3i20 n GLU 54 Ca 0.00 0.49 -0.00 0.00 -0.42 0.00 0.00 57.16 57.23 3i20 n GLU 54 Cb 0.05 -1.67 -0.00 0.00 -0.57 0.00 0.00 31.44 29.25 3i20 n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i20 n VAL 55 N -4.49 -3.23 -0.03 2.62 0.31 -1.26 -4.80 118.33 107.46 3i20 n VAL 55 Ca -0.23 0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 3i20 n VAL 55 Cb 0.52 -3.94 -0.08 0.00 -0.91 0.00 0.00 33.84 29.43 3i20 n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3i20 h GLU 56 N 0.25 0.15 -1.20 5.55 4.81 -1.46 -3.42 114.58 119.26 3i20 h GLU 56 Ca -0.02 -0.07 0.18 0.00 -0.13 0.00 0.00 59.36 59.32 3i20 h GLU 56 Cb 0.05 -0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.14 3i20 h GLU 56 CO 0.00 0.54 0.81 0.54 -0.73 0.00 0.00 179.01 180.18 3i20 s VAL 57 N -4.46 0.00 -0.13 0.32 0.11 -1.24 -4.98 120.40 110.02 3i20 s VAL 57 Ca -0.15 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3i20 s VAL 57 Cb 0.04 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 3i20 s VAL 57 CO 0.70 0.00 -0.10 0.54 -3.33 0.00 0.00 175.10 172.92 3i20 s VAL 58 N -0.55 3.38 -0.27 2.04 0.11 -1.26 -4.23 120.40 119.63 3i20 s VAL 58 Ca 0.06 -0.55 -0.05 0.00 -2.93 0.00 0.00 61.98 58.51 3i20 s VAL 58 Cb -0.03 -2.43 0.01 0.00 -1.53 0.00 0.00 36.38 32.40 3i20 s VAL 58 CO -0.09 0.53 0.02 0.20 -3.33 0.00 0.00 175.10 172.42 3i20 s ASN 59 N 0.17 4.75 0.25 3.54 -0.87 -1.02 -4.93 114.94 116.83 3i20 s ASN 59 Ca -0.05 -0.71 0.03 0.00 -1.57 0.00 0.00 52.86 50.56 3i20 s ASN 59 Cb -0.15 -1.79 -0.03 0.00 -0.02 0.00 0.00 41.25 39.26 3i20 s ASN 59 CO 0.04 -0.14 0.40 0.42 -2.57 0.00 0.00 177.10 175.24 3i20 s THR 60 N 1.44 5.23 0.06 1.60 -4.23 -1.26 -4.27 115.64 114.21 3i20 s THR 60 Ca 0.02 -0.74 -0.21 0.00 -1.18 0.00 0.00 61.69 59.58 3i20 s THR 60 Cb -0.17 -3.83 0.05 0.00 1.34 0.00 0.00 72.50 69.90 3i20 s THR 60 CO -0.01 -0.33 0.49 -1.48 -0.54 0.00 0.00 174.62 172.75 3i20 s LEU 61 N -3.86 0.05 -0.15 4.79 0.05 -1.24 -4.99 118.68 113.34 3i20 s LEU 61 Ca 0.36 0.06 -0.05 0.00 0.05 0.00 0.00 54.13 54.55 3i20 s LEU 61 Cb -0.10 2.04 -0.03 0.00 -2.05 0.00 0.00 46.19 46.05 3i20 s LEU 61 CO 0.30 -0.74 0.02 -0.69 -0.55 0.00 0.00 176.35 174.69 3i20 s VAL 62 N -2.73 4.41 -0.21 1.48 1.01 -1.26 0.26 120.40 123.36 3i20 s VAL 62 Ca -0.04 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 3i20 s VAL 62 Cb -0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3i20 s VAL 62 CO -0.04 0.52 0.10 -0.69 0.00 0.00 0.00 175.10 174.99 3i20 s VAL 63 N -0.03 5.03 0.14 2.92 1.01 0.19 -4.96 120.40 124.69 3i20 s VAL 63 Ca 0.04 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 3i20 s VAL 63 Cb -0.13 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 3i20 s VAL 63 CO 0.02 0.42 0.85 -0.54 0.00 0.00 0.00 175.10 175.85 3i20 s LYS 64 N 0.63 4.64 0.02 2.72 3.01 -1.26 -2.61 119.74 126.90 3i20 s LYS 64 Ca 0.05 1.27 -0.30 0.00 -1.01 0.00 0.00 55.97 55.98 3i20 s LYS 64 Cb -0.13 -3.31 -0.05 0.00 -1.01 0.00 0.00 37.83 33.33 3i20 s LYS 64 CO 0.01 0.42 1.15 0.20 0.51 0.00 0.00 175.35 177.64 3i20 s GLY 65 N -0.66 2.45 0.87 -3.33 0.00 -1.18 -4.98 107.32 100.49 3i20 s GLY 65 Ca 0.40 0.74 -0.12 0.00 0.00 0.00 0.00 44.72 45.73 3i20 s GLY 65 CO 0.28 2.00 1.06 0.28 0.00 0.00 0.00 173.10 176.71 3i20 n LYS 66 N 4.19 -0.13 -4.33 2.90 5.02 -1.26 -4.54 118.16 120.00 3i20 n LYS 66 Ca 0.09 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 3i20 n LYS 66 Cb 0.47 -2.32 -0.13 0.00 -0.02 0.00 0.00 35.03 33.03 3i20 n LYS 66 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3i20 s VAL 67 N -2.36 1.18 0.00 -0.18 -7.23 -1.26 -1.44 120.40 109.12 3i20 s VAL 67 Ca 0.68 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 3i20 s VAL 67 Cb -0.26 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.60 3i20 s VAL 67 CO 0.56 -0.03 0.00 2.29 -0.31 0.00 0.00 175.10 177.61 3i20 n LYS 68 N 1.72 0.00 0.00 4.82 0.00 -0.20 -4.99 118.16 119.51 3i20 n LYS 68 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 3i20 n LYS 68 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 3i20 n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i20 n ARG 69 N 0.00 0.00 0.00 -1.58 0.00 -1.26 -3.61 116.66 110.21 3i20 n ARG 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i20 n ARG 69 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i20 n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i20 n HIS 70 N 0.00 -0.46 0.00 -0.14 8.25 -1.26 -4.62 115.22 116.99 3i20 n HIS 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i20 n HIS 70 Cb 0.00 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3i20 n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i20 n GLY 71 N 0.00 -0.06 0.07 -1.41 0.00 -1.26 -4.82 105.19 97.72 3i20 n GLY 71 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3i20 n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i20 h GLN 72 N 0.00 0.00 -7.13 1.61 4.20 -2.00 -3.47 115.11 108.31 3i20 h GLN 72 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 3i20 h GLN 72 Cb 0.00 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.86 3i20 h GLN 72 CO 0.00 0.82 0.12 1.03 -0.67 0.00 0.00 178.83 180.13 3i20 s ARG 73 N -2.72 1.73 -0.12 1.46 1.81 -1.26 -5.12 118.95 114.73 3i20 s ARG 73 Ca 0.00 -0.99 -0.09 0.00 -1.72 0.00 0.00 55.73 52.92 3i20 s ARG 73 Cb 0.09 -2.31 0.04 0.00 -0.45 0.00 0.00 34.95 32.32 3i20 s ARG 73 CO 0.81 -1.42 0.30 0.42 -0.68 0.00 0.00 175.30 174.74 3i20 s ILE 74 N -3.15 -0.01 0.14 1.52 1.01 -1.26 -4.33 121.20 115.12 3i20 s ILE 74 Ca 0.65 0.04 0.07 0.00 0.00 0.00 0.00 60.65 61.41 3i20 s ILE 74 Cb -0.06 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 3i20 s ILE 74 CO 0.44 0.02 -0.03 -0.83 0.00 0.00 0.00 174.94 174.54 3i20 s GLY 75 N 0.50 1.78 -0.01 6.18 0.00 -1.24 -4.98 107.32 109.55 3i20 s GLY 75 Ca -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 44.72 43.44 3i20 s GLY 75 CO -0.03 -1.29 -0.14 -1.60 0.00 0.00 0.00 173.10 170.04 3i20 s ARG 76 N -2.63 1.19 0.67 2.90 3.52 -1.26 -1.03 118.95 122.31 3i20 s ARG 76 Ca 0.25 -0.50 -0.08 0.00 -0.13 0.00 0.00 55.73 55.27 3i20 s ARG 76 Cb -0.10 -1.13 0.04 0.00 -1.56 0.00 0.00 34.95 32.19 3i20 s ARG 76 CO 0.17 0.29 1.00 1.03 -0.81 0.00 0.00 175.30 176.99 3i20 s ARG 77 N -0.28 2.55 1.04 5.12 0.52 -0.52 -5.01 118.95 122.36 3i20 s ARG 77 Ca 0.04 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.08 3i20 s ARG 77 Cb -0.06 -2.16 0.22 0.00 0.52 0.00 0.00 34.95 33.47 3i20 s ARG 77 CO -0.00 -1.04 1.22 -1.12 0.02 0.00 0.00 175.30 174.38 3i20 s SER 78 N -4.42 2.44 0.19 0.23 0.01 -1.26 -4.32 113.70 106.57 3i20 s SER 78 Ca 0.58 0.49 0.07 0.00 1.31 0.00 0.00 55.95 58.39 3i20 s SER 78 Cb -0.11 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 3i20 s SER 78 CO 0.46 -3.17 0.06 -1.81 0.41 0.00 0.00 173.24 169.19 3i20 s ASP 79 N -4.44 5.01 0.33 2.44 1.01 -1.26 -3.11 116.67 116.65 3i20 s ASP 79 Ca 0.71 -0.34 -0.05 0.00 0.71 0.00 0.00 52.55 53.59 3i20 s ASP 79 Cb -0.07 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.72 3i20 s ASP 79 CO 0.54 0.06 0.49 -1.66 0.21 0.00 0.00 175.17 174.81 3i20 s TRP 80 N -1.85 0.92 0.02 4.23 1.48 -1.07 -4.98 118.94 117.69 3i20 s TRP 80 Ca 0.29 -1.20 0.00 0.00 -1.06 0.00 0.00 56.10 54.14 3i20 s TRP 80 Cb -0.09 0.00 -0.04 0.00 -1.16 0.00 0.00 33.47 32.19 3i20 s TRP 80 CO 0.21 -1.14 0.10 0.15 -4.06 0.00 0.00 176.95 172.21 3i20 s LYS 81 N -3.13 3.10 0.22 3.25 1.02 -1.25 -0.64 119.74 122.31 3i20 s LYS 81 Ca 0.29 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.82 3i20 s LYS 81 Cb -0.01 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 3i20 s LYS 81 CO 0.18 0.63 0.25 0.21 -0.92 0.00 0.00 175.35 175.70 3i20 s LYS 82 N -1.99 3.15 -0.10 1.68 2.20 0.14 -2.98 119.74 121.85 3i20 s LYS 82 Ca 0.26 -0.87 -0.11 0.00 -0.36 0.00 0.00 55.97 54.89 3i20 s LYS 82 Cb -0.12 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 3i20 s LYS 82 CO 0.18 0.44 -0.21 0.00 -0.36 0.00 0.00 175.35 175.40 3i20 n ALA 83 N -1.02 0.94 -2.54 3.13 0.00 -1.05 -3.68 120.51 116.29 3i20 n ALA 83 Ca -0.08 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.78 3i20 n ALA 83 Cb 0.57 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 3i20 n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i20 n TYR 84 N -3.78 -2.62 -0.02 0.00 0.53 -1.21 -3.82 117.16 106.24 3i20 n TYR 84 Ca -0.08 1.54 -0.04 0.00 -1.02 0.00 0.00 57.90 58.30 3i20 n TYR 84 Cb 0.31 -2.62 -0.01 0.00 -1.03 0.00 0.00 39.34 35.98 3i20 n TYR 84 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3i20 n VAL 85 N 2.01 0.20 -1.88 -0.72 0.31 0.08 -2.43 118.33 115.91 3i20 n VAL 85 Ca -0.13 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3i20 n VAL 85 Cb 0.21 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 3i20 n VAL 85 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3i20 n THR 86 N -3.00 -9.96 -4.06 2.52 -2.24 -1.26 -3.73 114.28 92.55 3i20 n THR 86 Ca -0.07 2.93 -0.33 0.00 -2.27 0.00 0.00 64.05 64.31 3i20 n THR 86 Cb 0.56 -4.53 -0.15 0.00 -2.10 0.00 0.00 70.33 64.10 3i20 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i20 s LEU 87 N -1.06 2.93 0.00 3.22 1.43 -1.26 -1.45 118.68 122.49 3i20 s LEU 87 Ca 0.00 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 3i20 s LEU 87 Cb 0.00 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3i20 s LEU 87 CO 0.00 -0.11 0.00 0.29 0.23 0.00 0.00 176.35 176.76 3i20 n LYS 88 N 4.55 0.00 0.13 1.70 4.76 -1.26 -4.52 118.16 123.52 3i20 n LYS 88 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3i20 n LYS 88 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 3i20 n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i20 n GLU 89 N 0.00 0.00 -1.94 1.97 -0.58 -1.26 -4.89 120.64 113.95 3i20 n GLU 89 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 3i20 n GLU 89 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 3i20 n GLU 89 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i20 s GLY 90 N -1.96 -0.17 0.06 0.62 0.00 -1.26 -4.91 107.32 99.69 3i20 s GLY 90 Ca 0.00 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.60 3i20 s GLY 90 CO 0.00 3.75 1.07 1.20 0.00 0.00 0.00 173.10 179.12 3i20 s GLN 91 N 7.14 4.53 0.00 2.90 -0.21 -1.26 -4.91 119.66 127.85 3i20 s GLN 91 Ca 0.73 1.59 0.00 0.00 0.02 0.00 0.00 55.36 57.69 3i20 s GLN 91 Cb -0.03 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.59 3i20 s GLN 91 CO 0.12 -0.08 0.00 0.09 -2.12 0.00 0.00 175.29 173.30 3i20 n ASN 92 N 3.60 0.00 -0.55 5.90 4.13 -1.26 -5.20 115.26 121.89 3i20 n ASN 92 Ca 0.06 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.46 3i20 n ASN 92 Cb 0.49 0.00 0.47 0.00 -1.54 0.00 0.00 39.78 39.19 3i20 n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72