#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rn3 n GLU 2 N 0.00 1.44 -1.87 -1.58 2.13 -1.26 -4.94 120.64 114.56 3rn3 n GLU 2 Ca 0.00 0.51 -0.30 0.00 0.66 0.00 0.00 57.16 58.03 3rn3 n GLU 2 Cb 0.00 -2.04 0.06 0.00 0.27 0.00 0.00 31.44 29.73 3rn3 n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3rn3 s THR 3 N -0.24 3.19 0.31 6.31 -4.23 -1.26 -4.86 115.64 114.85 3rn3 s THR 3 Ca 0.70 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.64 3rn3 s THR 3 Cb -0.78 -3.37 0.10 0.00 1.34 0.00 0.00 72.50 69.80 3rn3 s THR 3 CO 0.52 -0.51 1.79 0.00 -0.54 0.00 0.00 174.62 175.88 3rn3 h ALA 4 N -0.76 1.22 -0.21 3.99 0.00 -1.95 0.13 119.26 121.68 3rn3 h ALA 4 Ca -0.45 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 53.96 3rn3 h ALA 4 Cb 1.27 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3rn3 h ALA 4 CO 0.64 0.50 -0.68 0.00 0.00 0.00 0.00 179.25 179.71 3rn3 h ALA 5 N 1.40 0.37 -0.34 0.00 0.00 -1.89 -1.55 119.26 117.25 3rn3 h ALA 5 Ca 0.08 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3rn3 h ALA 5 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3rn3 h ALA 5 CO 0.03 0.68 -0.33 0.00 0.00 0.00 0.00 179.25 179.64 3rn3 h ALA 6 N 0.60 0.78 -0.58 0.00 0.00 -1.86 -2.47 119.26 115.73 3rn3 h ALA 6 Ca -0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3rn3 h ALA 6 Cb 1.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3rn3 h ALA 6 CO 0.15 0.65 0.19 -0.22 0.00 0.00 0.00 179.25 180.02 3rn3 h LYS 7 N 0.64 0.90 -0.59 0.00 3.64 -0.88 -1.18 116.57 119.10 3rn3 h LYS 7 Ca 0.07 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3rn3 h LYS 7 Cb 0.86 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3rn3 h LYS 7 CO 0.08 0.80 0.35 0.35 -2.27 0.00 0.00 179.45 178.76 3rn3 h PHE 8 N 0.82 0.78 -0.81 1.91 3.04 -1.14 0.13 116.94 121.67 3rn3 h PHE 8 Ca 0.19 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.17 3rn3 h PHE 8 Cb 0.27 -0.26 -0.05 0.00 2.56 0.00 0.00 35.95 38.47 3rn3 h PHE 8 CO 0.02 0.55 0.52 0.93 -2.02 0.00 0.00 178.31 178.30 3rn3 h GLU 9 N 0.80 0.97 -0.30 1.11 5.08 -1.05 0.70 114.58 121.89 3rn3 h GLU 9 Ca 0.21 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 3rn3 h GLU 9 Cb -0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3rn3 h GLU 9 CO -0.04 0.64 -0.49 -0.09 -1.00 0.00 0.00 179.01 178.03 3rn3 h ARG 10 N 1.00 0.83 0.00 2.33 2.43 -0.69 -1.99 114.38 118.29 3rn3 h ARG 10 Ca 0.33 -0.49 -0.20 0.00 -0.81 0.00 0.00 59.98 58.80 3rn3 h ARG 10 Cb 0.03 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3rn3 h ARG 10 CO -0.12 1.13 -1.09 1.96 -1.51 0.00 0.00 179.97 180.34 3rn3 h GLN 11 N 0.65 0.00 0.00 0.20 4.20 -0.61 -3.41 115.11 116.15 3rn3 h GLN 11 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3rn3 h GLN 11 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3rn3 h GLN 11 CO 0.11 0.74 0.00 0.72 -0.67 0.00 0.00 178.83 179.73 3rn3 n HIS 12 N -3.23 0.00 -4.48 2.96 8.25 0.23 -4.74 115.22 114.20 3rn3 n HIS 12 Ca -0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.08 3rn3 n HIS 12 Cb 0.92 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.92 3rn3 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3rn3 s MET 13 N -0.38 3.05 -0.41 -0.41 -1.94 -0.75 0.85 119.30 119.31 3rn3 s MET 13 Ca 0.00 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 53.53 3rn3 s MET 13 Cb 0.00 -2.74 0.17 0.00 2.01 0.00 0.00 34.83 34.27 3rn3 s MET 13 CO 0.00 0.58 0.34 0.34 -0.01 0.00 0.00 175.02 176.27 3rn3 s ASP 14 N -0.56 1.43 0.05 3.03 2.15 0.36 -4.82 116.67 118.30 3rn3 s ASP 14 Ca 0.09 -2.89 0.22 0.00 0.43 0.00 0.00 52.55 50.40 3rn3 s ASP 14 Cb -0.12 -0.31 0.92 0.00 -0.30 0.00 0.00 42.92 43.11 3rn3 s ASP 14 CO 0.02 -0.18 1.70 -1.20 -0.17 0.00 0.00 175.17 175.34 3rn3 n SER 15 N 2.99 0.16 -0.02 -0.34 7.64 -1.26 -3.48 113.62 119.32 3rn3 n SER 15 Ca 0.27 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.81 3rn3 n SER 15 Cb 0.47 -0.57 0.45 0.00 -1.01 0.00 0.00 64.21 63.56 3rn3 n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3rn3 n SER 16 N -1.67 0.29 -4.10 6.43 3.41 -1.26 -4.84 113.62 111.88 3rn3 n SER 16 Ca 0.05 0.02 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 3rn3 n SER 16 Cb 0.27 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3rn3 n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3rn3 s THR 17 N -2.93 0.62 -0.19 6.66 -4.23 -1.23 -5.03 115.64 109.31 3rn3 s THR 17 Ca 0.15 -1.38 0.20 0.00 -1.18 0.00 0.00 61.69 59.48 3rn3 s THR 17 Cb 0.18 -0.99 -0.05 0.00 1.34 0.00 0.00 72.50 72.99 3rn3 s THR 17 CO 0.60 -0.54 0.97 -1.28 -0.54 0.00 0.00 174.62 173.83 3rn3 h SER 18 N 3.98 0.00 -4.99 3.99 0.87 -1.88 -3.44 113.55 112.08 3rn3 h SER 18 Ca -0.36 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.40 3rn3 h SER 18 Cb 1.19 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.02 3rn3 h SER 18 CO 0.49 0.22 0.62 0.00 -0.53 0.00 0.00 176.83 177.63 3rn3 s ALA 19 N -3.20 -1.91 0.29 6.23 0.00 -1.26 -4.85 121.76 117.06 3rn3 s ALA 19 Ca -0.01 0.81 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 3rn3 s ALA 19 Cb 0.09 0.36 -0.10 0.00 0.00 0.00 0.00 23.12 23.47 3rn3 s ALA 19 CO 0.80 -0.85 1.31 0.00 0.00 0.00 0.00 175.76 177.02 3rn3 s ALA 20 N -2.88 3.51 -0.54 0.00 0.00 -1.26 -4.92 121.76 115.66 3rn3 s ALA 20 Ca 0.10 1.21 0.22 0.00 0.00 0.00 0.00 51.96 53.49 3rn3 s ALA 20 Cb 0.00 -3.48 -0.25 0.00 0.00 0.00 0.00 23.12 19.39 3rn3 s ALA 20 CO -0.04 -0.60 0.73 -1.13 0.00 0.00 0.00 175.76 174.73 3rn3 n SER 21 N 1.40 0.53 -3.70 0.00 3.41 -1.26 -5.00 113.62 109.00 3rn3 n SER 21 Ca 0.02 -0.49 -0.09 0.00 -0.26 0.00 0.00 58.87 58.05 3rn3 n SER 21 Cb 0.42 1.41 -0.02 0.00 -0.26 0.00 0.00 64.21 65.76 3rn3 n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3rn3 s SER 22 N -3.75 -0.37 0.61 4.04 1.04 -1.26 -5.03 113.70 108.98 3rn3 s SER 22 Ca 0.01 -0.38 0.31 0.00 0.48 0.00 0.00 55.95 56.37 3rn3 s SER 22 Cb 0.15 0.67 1.82 0.00 0.10 0.00 0.00 66.02 68.76 3rn3 s SER 22 CO 0.88 -1.19 2.17 0.77 0.98 0.00 0.00 173.24 176.85 3rn3 h SER 23 N 2.00 0.00 0.57 7.02 4.64 -1.94 -2.29 113.55 123.54 3rn3 h SER 23 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3rn3 h SER 23 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3rn3 h SER 23 CO 0.28 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.83 3rn3 n ASN 24 N -3.65 0.00 -0.00 4.97 3.02 -1.26 -4.26 115.26 114.08 3rn3 n ASN 24 Ca -0.01 -0.15 -0.09 0.00 -0.03 0.00 0.00 54.58 54.30 3rn3 n ASN 24 Cb 0.22 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 3rn3 n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3rn3 h TYR 25 N 0.00 -0.34 -0.38 3.10 5.03 -1.81 -2.00 116.97 120.57 3rn3 h TYR 25 Ca 0.00 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 3rn3 h TYR 25 Cb 0.28 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 3rn3 h TYR 25 CO 0.00 -0.20 0.18 0.00 -1.32 0.00 0.00 178.16 176.82 3rn3 h ASN 27 N 0.47 -0.04 -0.23 0.00 -0.26 -1.76 0.03 115.58 113.79 3rn3 h ASN 27 Ca 0.13 0.09 -0.10 0.00 -0.56 0.00 0.00 56.30 55.86 3rn3 h ASN 27 Cb 0.12 0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.52 3rn3 h ASN 27 CO -0.02 0.01 -0.26 1.56 -1.06 0.00 0.00 177.43 177.66 3rn3 h GLN 28 N 0.21 0.59 -0.04 0.81 7.50 -1.12 -2.98 115.11 120.08 3rn3 h GLN 28 Ca 0.24 -0.32 -0.24 0.00 0.50 0.00 0.00 58.65 58.83 3rn3 h GLN 28 Cb 0.33 0.02 0.01 0.00 0.05 0.00 0.00 27.48 27.89 3rn3 h GLN 28 CO -0.33 0.92 -0.94 0.52 -1.50 0.00 0.00 178.83 177.49 3rn3 h MET 29 N 0.29 0.65 -0.90 1.46 2.86 -0.87 -0.65 114.93 117.76 3rn3 h MET 29 Ca 0.03 -0.64 -0.01 0.00 -2.06 0.00 0.00 59.70 57.02 3rn3 h MET 29 Cb 0.83 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.61 3rn3 h MET 29 CO 0.06 1.24 0.53 0.52 1.06 0.00 0.00 176.91 180.33 3rn3 h MET 30 N 0.39 1.22 0.03 1.72 2.86 -1.09 -1.12 114.93 118.94 3rn3 h MET 30 Ca -0.10 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3rn3 h MET 30 Cb 1.58 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.99 3rn3 h MET 30 CO 0.18 0.86 -0.02 -0.22 1.06 0.00 0.00 176.91 178.78 3rn3 h LYS 31 N 1.24 -0.05 0.00 1.72 3.64 -1.41 -1.19 116.57 120.52 3rn3 h LYS 31 Ca 0.32 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 3rn3 h LYS 31 Cb -0.04 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3rn3 h LYS 31 CO -0.06 0.50 -0.17 0.66 -2.27 0.00 0.00 179.45 178.10 3rn3 h SER 32 N -0.62 0.00 -0.22 4.20 4.64 -1.01 -0.70 113.55 119.85 3rn3 h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3rn3 h SER 32 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3rn3 h SER 32 CO 0.01 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.68 3rn3 n ARG 33 N -4.14 1.70 -2.01 4.77 5.12 -0.43 -4.93 116.66 116.73 3rn3 n ARG 33 Ca -0.02 -1.07 -0.14 0.00 -1.93 0.00 0.00 57.85 54.69 3rn3 n ARG 33 Cb 0.25 -1.34 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 3rn3 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3rn3 n ASN 34 N 0.32 -4.36 -0.18 0.55 3.02 -0.27 -4.87 115.26 109.47 3rn3 n ASN 34 Ca 0.14 0.09 0.14 0.00 -0.03 0.00 0.00 54.58 54.92 3rn3 n ASN 34 Cb 0.30 -3.40 0.54 0.00 -0.61 0.00 0.00 39.78 36.60 3rn3 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3rn3 n LEU 35 N -1.86 0.71 -0.72 3.41 4.77 -0.46 -3.61 117.00 119.24 3rn3 n LEU 35 Ca -0.16 -0.12 0.05 0.00 -0.03 0.00 0.00 56.01 55.76 3rn3 n LEU 35 Cb 0.57 -0.15 0.21 0.00 -2.33 0.00 0.00 43.42 41.73 3rn3 n LEU 35 CO 0.20 0.13 0.64 0.35 -1.33 0.00 0.00 177.39 177.37 3rn3 n THR 36 N -0.77 2.25 0.29 -5.08 -2.24 -1.22 -3.84 114.28 103.66 3rn3 n THR 36 Ca 0.14 -2.34 -0.15 0.00 -2.27 0.00 0.00 64.05 59.43 3rn3 n THR 36 Cb 0.30 -0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.18 3rn3 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3rn3 h LYS 37 N 1.05 -0.70 0.00 -0.78 3.11 -1.91 -3.34 116.57 114.00 3rn3 h LYS 37 Ca 0.06 0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.87 3rn3 h LYS 37 Cb 1.35 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.72 3rn3 h LYS 37 CO 0.19 -0.40 -1.73 -0.25 -2.81 0.00 0.00 179.45 174.45 3rn3 n ASP 38 N -5.33 0.34 -3.62 4.20 8.00 -1.26 -5.03 116.55 113.84 3rn3 n ASP 38 Ca -0.12 0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.49 3rn3 n ASP 38 Cb 0.33 1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 42.60 3rn3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3rn3 s ARG 39 N -3.24 0.67 -0.50 -1.24 1.04 -1.25 -5.11 118.95 109.32 3rn3 s ARG 39 Ca -0.06 -0.32 -0.27 0.00 -1.04 0.00 0.00 55.73 54.04 3rn3 s ARG 39 Cb 0.11 0.26 0.03 0.00 -2.04 0.00 0.00 34.95 33.31 3rn3 s ARG 39 CO 0.85 -0.30 1.07 0.00 -0.04 0.00 0.00 175.30 176.88 3rn3 s LYS 41 N 4.32 4.14 0.20 0.00 1.02 -1.25 -4.92 119.74 123.26 3rn3 s LYS 41 Ca 0.42 2.56 -0.05 0.00 0.02 0.00 0.00 55.97 58.92 3rn3 s LYS 41 Cb -0.09 -3.27 0.15 0.00 -0.52 0.00 0.00 37.83 34.11 3rn3 s LYS 41 CO 0.28 -0.76 1.59 -1.35 -0.92 0.00 0.00 175.35 174.19 3rn3 h PRO 42 N 7.43 0.75 -3.86 -1.68 0.11 -1.94 -3.44 132.00 129.36 3rn3 h PRO 42 Ca -0.44 -0.34 -0.15 0.00 0.11 0.00 0.00 66.00 65.19 3rn3 h PRO 42 Cb 1.21 -0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.11 3rn3 h PRO 42 CO 0.95 0.95 -0.61 0.08 -0.21 0.00 0.00 178.00 179.16 3rn3 s VAL 43 N -4.48 0.12 -0.15 3.15 1.01 -1.26 -0.80 120.40 117.99 3rn3 s VAL 43 Ca -0.09 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 3rn3 s VAL 43 Cb 0.13 -0.60 0.09 0.00 0.00 0.00 0.00 36.38 36.00 3rn3 s VAL 43 CO 0.84 -0.56 0.82 0.21 0.00 0.00 0.00 175.10 176.42 3rn3 s ASN 44 N -1.78 -0.56 -0.03 3.32 2.47 -0.76 -5.01 114.94 112.59 3rn3 s ASN 44 Ca -0.10 0.76 0.06 0.00 0.42 0.00 0.00 52.86 54.00 3rn3 s ASN 44 Cb -0.05 0.66 -0.01 0.00 -1.45 0.00 0.00 41.25 40.39 3rn3 s ASN 44 CO -0.02 -0.42 -0.21 -0.89 -3.72 0.00 0.00 177.10 171.84 3rn3 s THR 45 N -0.74 1.70 -0.05 -5.21 2.01 -1.26 -1.06 115.64 111.04 3rn3 s THR 45 Ca -0.05 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 3rn3 s THR 45 Cb -0.02 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 3rn3 s THR 45 CO 0.04 0.48 0.05 -0.36 -0.69 0.00 0.00 174.62 174.14 3rn3 s PHE 46 N -0.34 3.26 -0.15 4.92 0.08 -0.03 -4.45 117.98 121.27 3rn3 s PHE 46 Ca 0.04 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.32 3rn3 s PHE 46 Cb -0.10 -1.78 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 3rn3 s PHE 46 CO 0.01 0.54 -0.15 0.08 -0.10 0.00 0.00 175.22 175.59 3rn3 s VAL 47 N -1.05 2.72 -1.06 -0.44 1.01 0.25 -1.30 120.40 120.53 3rn3 s VAL 47 Ca 0.18 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3rn3 s VAL 47 Cb -0.12 -2.14 0.31 0.00 0.00 0.00 0.00 36.38 34.43 3rn3 s VAL 47 CO 0.08 0.52 1.60 1.41 0.00 0.00 0.00 175.10 178.71 3rn3 n HIS 48 N 3.98 2.40 -4.16 5.22 -0.00 0.18 -0.49 115.22 122.35 3rn3 n HIS 48 Ca -0.19 -2.56 -0.11 0.00 -0.00 0.00 0.00 57.72 54.86 3rn3 n HIS 48 Cb 0.52 -1.23 -0.10 0.00 -0.00 0.00 0.00 29.99 29.18 3rn3 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3rn3 s GLU 49 N -3.33 1.16 0.48 -0.41 0.41 -1.26 -4.52 118.70 111.23 3rn3 s GLU 49 Ca 0.34 -1.54 -0.21 0.00 -0.41 0.00 0.00 54.97 53.15 3rn3 s GLU 49 Cb 0.10 0.28 -0.08 0.00 -1.78 0.00 0.00 34.13 32.65 3rn3 s GLU 49 CO 0.03 -0.38 1.07 -1.54 -0.49 0.00 0.00 175.26 173.95 3rn3 s SER 50 N -3.11 6.27 0.20 -0.19 1.04 -1.26 -4.10 113.70 112.54 3rn3 s SER 50 Ca 0.33 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.69 3rn3 s SER 50 Cb 0.06 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 63.77 3rn3 s SER 50 CO 0.09 -0.83 1.84 0.25 0.98 0.00 0.00 173.24 175.56 3rn3 h LEU 51 N 1.70 0.65 -0.90 2.42 5.85 -1.98 -2.12 115.31 120.93 3rn3 h LEU 51 Ca -0.49 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.38 3rn3 h LEU 51 Cb 1.23 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 3rn3 h LEU 51 CO 0.59 0.45 0.50 0.00 -0.34 0.00 0.00 178.44 179.65 3rn3 h ALA 52 N 1.28 1.39 -0.05 1.25 0.00 -1.98 0.23 119.26 121.37 3rn3 h ALA 52 Ca 0.26 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3rn3 h ALA 52 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3rn3 h ALA 52 CO -0.10 -0.02 -0.50 -0.44 0.00 0.00 0.00 179.25 178.18 3rn3 h ASP 53 N 0.72 0.14 0.33 0.00 3.32 -1.78 -1.33 116.42 117.81 3rn3 h ASP 53 Ca 0.49 -0.07 -0.33 0.00 0.02 0.00 0.00 57.03 57.14 3rn3 h ASP 53 Cb 0.67 -0.04 0.03 0.00 0.22 0.00 0.00 39.33 40.21 3rn3 h ASP 53 CO -0.35 0.62 -1.43 0.58 -1.72 0.00 0.00 179.24 176.94 3rn3 h VAL 54 N 0.11 1.32 -0.25 -1.35 2.07 -0.75 -3.17 116.25 114.23 3rn3 h VAL 54 Ca 0.00 -2.76 -0.00 0.00 0.82 0.00 0.00 66.70 64.76 3rn3 h VAL 54 Cb 0.92 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 3rn3 h VAL 54 CO 0.07 0.82 0.14 1.56 0.02 0.00 0.00 177.57 180.18 3rn3 h GLN 55 N 0.14 0.34 0.00 1.57 4.20 -0.50 -1.73 115.11 119.12 3rn3 h GLN 55 Ca -0.23 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3rn3 h GLN 55 Cb 2.13 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.84 3rn3 h GLN 55 CO 0.26 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 3rn3 h ALA 56 N 1.81 1.00 0.00 3.87 0.00 -1.21 -2.44 119.26 122.29 3rn3 h ALA 56 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3rn3 h ALA 56 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3rn3 h ALA 56 CO -0.02 0.00 -0.01 0.28 0.00 0.00 0.00 179.25 179.50 3rn3 h VAL 57 N 0.00 0.05 0.00 0.00 2.07 -1.36 -1.06 116.25 115.95 3rn3 h VAL 57 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3rn3 h VAL 57 Cb 0.24 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3rn3 h VAL 57 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3rn3 n SER 59 N -1.28 1.62 0.00 0.00 3.41 -0.40 -5.00 113.62 111.97 3rn3 n SER 59 Ca 0.05 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 3rn3 n SER 59 Cb 0.07 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3rn3 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3rn3 n GLN 60 N -0.90 2.89 -2.38 4.33 6.02 -0.12 -5.01 117.38 122.22 3rn3 n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 3rn3 n GLN 60 Cb 0.72 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.95 3rn3 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3rn3 s LYS 61 N 4.96 3.67 0.10 -1.09 2.20 -1.08 -4.85 119.74 123.66 3rn3 s LYS 61 Ca 0.00 1.00 -0.30 0.00 -0.36 0.00 0.00 55.97 56.31 3rn3 s LYS 61 Cb 0.00 -3.98 -0.06 0.00 -1.51 0.00 0.00 37.83 32.27 3rn3 s LYS 61 CO 0.00 -1.44 1.19 1.21 -0.36 0.00 0.00 175.35 175.95 3rn3 s ASN 62 N 3.58 7.09 0.09 1.43 3.04 -1.26 0.12 114.94 129.04 3rn3 s ASN 62 Ca 0.59 2.08 -0.04 0.00 0.04 0.00 0.00 52.86 55.53 3rn3 s ASN 62 Cb -0.14 -2.59 -0.02 0.00 -1.54 0.00 0.00 41.25 36.96 3rn3 s ASN 62 CO 0.30 -0.43 0.10 0.68 -3.04 0.00 0.00 177.10 174.71 3rn3 s VAL 63 N 0.66 0.15 0.35 -5.21 -7.23 0.61 -4.89 120.40 104.85 3rn3 s VAL 63 Ca 0.57 -1.58 -0.26 0.00 -1.81 0.00 0.00 61.98 58.90 3rn3 s VAL 63 Cb -0.30 -1.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 3rn3 s VAL 63 CO 0.31 -0.69 1.04 0.00 -0.31 0.00 0.00 175.10 175.45 3rn3 s ALA 64 N -3.93 3.20 0.79 1.32 0.00 -1.26 -3.08 121.76 118.79 3rn3 s ALA 64 Ca 0.11 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3rn3 s ALA 64 Cb 0.06 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.98 3rn3 s ALA 64 CO -0.07 -0.11 1.09 0.00 0.00 0.00 0.00 175.76 176.67 3rn3 h LYS 66 N -1.13 0.00 -0.16 0.00 2.10 -1.91 -0.44 116.57 115.03 3rn3 h LYS 66 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3rn3 h LYS 66 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3rn3 h LYS 66 CO 0.55 0.08 0.00 0.27 -2.00 0.00 0.00 179.45 178.35 3rn3 n ASN 67 N -3.93 1.33 0.00 7.07 6.94 -1.26 -4.91 115.26 120.50 3rn3 n ASN 67 Ca -0.02 -1.72 0.00 0.00 -0.02 0.00 0.00 54.58 52.82 3rn3 n ASN 67 Cb 0.18 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3rn3 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3rn3 n GLY 68 N 1.03 3.21 3.68 4.83 0.00 -0.18 -5.06 105.19 112.69 3rn3 n GLY 68 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3rn3 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3rn3 n GLN 69 N -1.85 0.77 -0.53 1.61 6.02 -1.26 -4.58 117.38 117.56 3rn3 n GLN 69 Ca 0.00 0.32 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 3rn3 n GLN 69 Cb 0.00 -2.39 0.29 0.00 1.02 0.00 0.00 30.24 29.16 3rn3 n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3rn3 n THR 70 N -2.28 2.34 -1.40 5.09 -2.24 -1.26 -0.02 114.28 114.51 3rn3 n THR 70 Ca 0.15 -1.75 -0.27 0.00 -2.27 0.00 0.00 64.05 59.90 3rn3 n THR 70 Cb 0.49 -0.23 0.12 0.00 -2.10 0.00 0.00 70.33 68.60 3rn3 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3rn3 n ASN 71 N -0.24 5.56 -4.91 3.42 6.94 -1.26 -4.77 115.26 120.00 3rn3 n ASN 71 Ca 0.22 -3.73 -0.30 0.00 -0.02 0.00 0.00 54.58 50.75 3rn3 n ASN 71 Cb 0.94 -0.82 -0.04 0.00 -2.36 0.00 0.00 39.78 37.49 3rn3 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3rn3 s TYR 73 N -1.55 0.39 -0.14 0.00 1.51 0.96 -0.28 117.35 118.24 3rn3 s TYR 73 Ca 0.34 -0.07 -0.04 0.00 -1.01 0.00 0.00 57.07 56.29 3rn3 s TYR 73 Cb -0.13 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.39 3rn3 s TYR 73 CO 0.28 -0.05 0.01 -1.14 -1.11 0.00 0.00 175.55 173.54 3rn3 s GLN 74 N 0.21 3.55 0.39 -0.62 0.74 0.33 -0.90 119.66 123.36 3rn3 s GLN 74 Ca -0.02 -0.42 -0.26 0.00 0.05 0.00 0.00 55.36 54.72 3rn3 s GLN 74 Cb -0.05 -2.98 -0.09 0.00 1.10 0.00 0.00 33.01 30.99 3rn3 s GLN 74 CO -0.00 0.41 1.16 -1.54 -0.55 0.00 0.00 175.29 174.77 3rn3 s SER 75 N -0.07 6.62 0.27 6.67 1.04 -0.29 -2.63 113.70 125.30 3rn3 s SER 75 Ca 0.04 2.32 0.06 0.00 0.48 0.00 0.00 55.95 58.85 3rn3 s SER 75 Cb -0.13 -2.61 0.35 0.00 0.10 0.00 0.00 66.02 63.73 3rn3 s SER 75 CO 0.02 -0.61 1.62 1.88 0.98 0.00 0.00 173.24 177.13 3rn3 h TYR 76 N 2.74 0.24 -2.53 5.02 0.05 -1.95 -3.44 116.97 117.10 3rn3 h TYR 76 Ca -0.48 -0.08 -0.54 0.00 0.05 0.00 0.00 58.73 57.67 3rn3 h TYR 76 Cb 1.23 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.87 3rn3 h TYR 76 CO 0.56 0.69 -0.53 -1.12 -1.05 0.00 0.00 178.16 176.70 3rn3 s SER 77 N -6.89 5.69 0.57 3.88 0.01 -1.26 -5.05 113.70 110.65 3rn3 s SER 77 Ca -0.04 -0.10 -0.14 0.00 1.31 0.00 0.00 55.95 56.98 3rn3 s SER 77 Cb 0.13 -1.53 -0.06 0.00 0.21 0.00 0.00 66.02 64.77 3rn3 s SER 77 CO 0.78 0.03 1.01 0.42 0.41 0.00 0.00 173.24 175.89 3rn3 s THR 78 N -1.85 4.61 0.15 1.44 -4.23 -1.26 -4.55 115.64 109.94 3rn3 s THR 78 Ca 0.32 1.04 0.06 0.00 -1.18 0.00 0.00 61.69 61.94 3rn3 s THR 78 Cb -0.10 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 3rn3 s THR 78 CO 0.25 -0.91 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.24 3rn3 s MET 79 N -4.62 1.11 -0.20 3.99 -1.94 0.75 -4.85 119.30 113.54 3rn3 s MET 79 Ca 0.57 -1.36 -0.25 0.00 -1.71 0.00 0.00 55.69 52.94 3rn3 s MET 79 Cb -0.11 -0.92 -0.01 0.00 2.01 0.00 0.00 34.83 35.80 3rn3 s MET 79 CO 0.43 0.16 0.83 0.45 -0.01 0.00 0.00 175.02 176.88 3rn3 s SER 80 N -2.78 6.91 0.17 3.03 0.15 -1.26 -1.52 113.70 118.39 3rn3 s SER 80 Ca 0.14 1.12 0.02 0.00 0.70 0.00 0.00 55.95 57.93 3rn3 s SER 80 Cb -0.03 -2.45 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 3rn3 s SER 80 CO 0.04 -0.45 -0.02 0.27 1.20 0.00 0.00 173.24 174.28 3rn3 s ILE 81 N 2.44 0.76 -0.11 6.45 -4.36 -0.11 -0.65 121.20 125.62 3rn3 s ILE 81 Ca 0.37 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.78 3rn3 s ILE 81 Cb -0.16 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.51 3rn3 s ILE 81 CO 0.10 -0.54 -0.11 -0.89 0.24 0.00 0.00 174.94 173.75 3rn3 s THR 82 N -3.60 1.19 -0.12 8.37 2.01 -0.42 -0.71 115.64 122.35 3rn3 s THR 82 Ca 0.22 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 3rn3 s THR 82 Cb 0.06 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 3rn3 s THR 82 CO 0.03 0.39 0.24 -1.81 -0.69 0.00 0.00 174.62 172.78 3rn3 s ASP 83 N 1.33 6.46 -0.21 3.53 1.11 0.14 -0.85 116.67 128.18 3rn3 s ASP 83 Ca -0.01 0.55 0.01 0.00 0.18 0.00 0.00 52.55 53.28 3rn3 s ASP 83 Cb -0.14 -2.15 0.03 0.00 1.07 0.00 0.00 42.92 41.74 3rn3 s ASP 83 CO -0.05 0.26 -0.16 0.00 1.18 0.00 0.00 175.17 176.40 3rn3 s ARG 85 N 1.24 1.78 0.31 0.00 3.52 -0.81 -1.83 118.95 123.16 3rn3 s ARG 85 Ca 0.01 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.67 3rn3 s ARG 85 Cb -0.15 -1.57 -0.12 0.00 -1.56 0.00 0.00 34.95 31.55 3rn3 s ARG 85 CO -0.10 0.29 1.53 -1.91 -0.81 0.00 0.00 175.30 174.29 3rn3 n GLU 86 N 3.02 2.57 -2.93 5.12 2.13 0.02 -0.18 120.64 130.38 3rn3 n GLU 86 Ca -0.17 0.91 -0.19 0.00 0.66 0.00 0.00 57.16 58.37 3rn3 n GLU 86 Cb 0.53 -2.65 0.02 0.00 0.27 0.00 0.00 31.44 29.61 3rn3 n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3rn3 s THR 87 N -0.34 3.08 0.56 6.31 -4.23 -0.02 -4.80 115.64 116.20 3rn3 s THR 87 Ca 0.61 -0.85 0.24 0.00 -1.18 0.00 0.00 61.69 60.52 3rn3 s THR 87 Cb -0.52 -3.08 0.34 0.00 1.34 0.00 0.00 72.50 70.58 3rn3 s THR 87 CO 0.53 -0.04 2.11 1.23 -0.54 0.00 0.00 174.62 177.91 3rn3 h GLY 88 N 0.46 0.00 -1.09 3.99 0.00 -1.95 -1.19 103.07 103.29 3rn3 h GLY 88 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3rn3 h GLY 88 CO 0.49 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.47 3rn3 n SER 89 N -4.16 2.09 -4.69 0.19 7.64 -1.26 -4.92 113.62 108.52 3rn3 n SER 89 Ca 0.01 -1.72 -0.42 0.00 1.01 0.00 0.00 58.87 57.75 3rn3 n SER 89 Cb 0.29 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 3rn3 n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3rn3 s SER 90 N -1.82 6.72 -0.20 6.43 0.15 -0.45 -4.83 113.70 119.70 3rn3 s SER 90 Ca 0.34 2.30 -0.05 0.00 0.70 0.00 0.00 55.95 59.25 3rn3 s SER 90 Cb 0.20 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 62.05 3rn3 s SER 90 CO 0.31 -0.81 0.35 -0.75 1.20 0.00 0.00 173.24 173.54 3rn3 s LYS 91 N 2.56 0.28 0.11 5.44 2.47 -0.95 -4.86 119.74 124.79 3rn3 s LYS 91 Ca 0.69 0.74 -0.36 0.00 -1.56 0.00 0.00 55.97 55.48 3rn3 s LYS 91 Cb -0.36 -0.15 -0.17 0.00 -1.46 0.00 0.00 37.83 35.70 3rn3 s LYS 91 CO 0.29 -0.42 1.28 0.98 0.16 0.00 0.00 175.35 177.64 3rn3 n TYR 92 N 5.37 1.41 1.02 4.03 9.36 -1.26 0.54 117.16 137.63 3rn3 n TYR 92 Ca -0.06 0.66 0.11 0.00 3.32 0.00 0.00 57.90 61.94 3rn3 n TYR 92 Cb 0.50 -2.31 0.33 0.00 -0.63 0.00 0.00 39.34 37.23 3rn3 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3rn3 n PRO 93 N 2.26 1.96 -2.79 2.98 -0.04 -1.26 -4.95 135.00 133.17 3rn3 n PRO 93 Ca 0.17 -1.44 -0.44 0.00 -0.04 0.00 0.00 63.50 61.76 3rn3 n PRO 93 Cb 0.20 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 3rn3 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3rn3 n ASN 94 N 0.68 5.28 -4.74 3.54 4.13 0.19 -4.98 115.26 119.35 3rn3 n ASN 94 Ca 0.17 -3.05 -0.41 0.00 1.68 0.00 0.00 54.58 52.97 3rn3 n ASN 94 Cb 0.42 -1.51 -0.03 0.00 -1.54 0.00 0.00 39.78 37.13 3rn3 n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3rn3 s ALA 96 N -0.07 1.28 0.09 0.00 0.00 -1.26 -4.90 121.76 116.90 3rn3 s ALA 96 Ca 0.57 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3rn3 s ALA 96 Cb -0.39 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3rn3 s ALA 96 CO 0.42 0.21 -0.09 0.71 0.00 0.00 0.00 175.76 177.01 3rn3 s TYR 97 N 0.17 0.97 -0.18 0.00 1.51 -1.26 -0.84 117.35 117.72 3rn3 s TYR 97 Ca -0.05 -0.69 -0.11 0.00 -1.01 0.00 0.00 57.07 55.21 3rn3 s TYR 97 Cb -0.11 -0.54 -0.05 0.00 -0.11 0.00 0.00 41.96 41.15 3rn3 s TYR 97 CO 0.02 -0.04 0.18 0.21 -1.11 0.00 0.00 175.55 174.80 3rn3 s LYS 98 N -2.88 4.12 -0.20 -0.62 2.20 0.74 -4.62 119.74 118.48 3rn3 s LYS 98 Ca 0.05 -0.11 -0.15 0.00 -0.36 0.00 0.00 55.97 55.39 3rn3 s LYS 98 Cb -0.02 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3rn3 s LYS 98 CO -0.01 0.35 0.37 0.99 -0.36 0.00 0.00 175.35 176.69 3rn3 s THR 99 N 0.20 5.22 -0.09 3.43 2.01 -1.26 -1.93 115.64 123.22 3rn3 s THR 99 Ca 0.11 0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.78 3rn3 s THR 99 Cb -0.12 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.71 3rn3 s THR 99 CO 0.01 0.27 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.21 3rn3 s THR 100 N 1.20 1.18 -0.13 -0.82 2.01 0.06 -4.98 115.64 114.16 3rn3 s THR 100 Ca 0.18 -0.45 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 3rn3 s THR 100 Cb -0.14 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 3rn3 s THR 100 CO 0.07 0.38 0.13 -1.58 -0.69 0.00 0.00 174.62 172.93 3rn3 s GLN 101 N 1.08 3.48 0.24 4.92 2.00 -1.26 0.24 119.66 130.36 3rn3 s GLN 101 Ca -0.06 -0.15 -0.15 0.00 -2.00 0.00 0.00 55.36 52.99 3rn3 s GLN 101 Cb -0.15 -3.19 0.01 0.00 0.80 0.00 0.00 33.01 30.48 3rn3 s GLN 101 CO -0.01 0.73 0.52 0.00 -0.50 0.00 0.00 175.29 176.03 3rn3 s ALA 102 N -0.90 -0.58 -0.29 1.58 0.00 0.11 -4.97 121.76 116.71 3rn3 s ALA 102 Ca 0.14 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.52 3rn3 s ALA 102 Cb -0.12 0.96 0.08 0.00 0.00 0.00 0.00 23.12 24.04 3rn3 s ALA 102 CO 0.03 -0.86 -0.01 -0.80 0.00 0.00 0.00 175.76 174.12 3rn3 s ASN 103 N -2.96 4.45 0.20 0.00 0.01 -1.26 -0.93 114.94 114.44 3rn3 s ASN 103 Ca 0.17 -1.71 -0.03 0.00 -0.71 0.00 0.00 52.86 50.58 3rn3 s ASN 103 Cb -0.01 -1.46 -0.03 0.00 0.41 0.00 0.00 41.25 40.15 3rn3 s ASN 103 CO 0.05 -0.30 0.18 -0.54 -1.51 0.00 0.00 177.10 174.98 3rn3 s LYS 104 N 1.11 1.21 0.41 -0.60 1.02 -0.57 -4.79 119.74 117.52 3rn3 s LYS 104 Ca 0.02 -1.53 -0.22 0.00 0.02 0.00 0.00 55.97 54.26 3rn3 s LYS 104 Cb -0.19 0.30 -0.11 0.00 -0.52 0.00 0.00 37.83 37.31 3rn3 s LYS 104 CO -0.08 -0.41 0.95 -1.01 -0.92 0.00 0.00 175.35 173.88 3rn3 s HIS 105 N -4.12 3.39 0.16 3.18 3.76 0.11 -0.18 115.29 121.61 3rn3 s HIS 105 Ca 0.34 1.65 0.07 0.00 -0.15 0.00 0.00 55.06 56.97 3rn3 s HIS 105 Cb 0.06 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 3rn3 s HIS 105 CO 0.10 -0.05 -0.02 0.96 -0.85 0.00 0.00 174.74 174.87 3rn3 s ILE 106 N -2.04 3.63 -0.14 0.60 -4.36 -1.26 0.01 121.20 117.64 3rn3 s ILE 106 Ca 0.59 -1.41 0.02 0.00 -0.26 0.00 0.00 60.65 59.59 3rn3 s ILE 106 Cb -0.12 -2.81 0.02 0.00 1.25 0.00 0.00 42.46 40.81 3rn3 s ILE 106 CO 0.16 -0.07 -0.18 -0.63 0.24 0.00 0.00 174.94 174.46 3rn3 s ILE 107 N -1.65 1.75 0.20 8.37 1.01 0.31 -1.14 121.20 130.05 3rn3 s ILE 107 Ca 0.26 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.21 3rn3 s ILE 107 Cb -0.10 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3rn3 s ILE 107 CO 0.18 0.49 -0.13 0.68 0.00 0.00 0.00 174.94 176.16 3rn3 s VAL 108 N 1.08 1.64 -0.13 2.92 -7.23 -0.08 -0.42 120.40 118.18 3rn3 s VAL 108 Ca -0.03 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 57.89 3rn3 s VAL 108 Cb -0.14 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3rn3 s VAL 108 CO -0.05 -0.58 0.10 0.00 -0.31 0.00 0.00 175.10 174.26 3rn3 s ALA 109 N -3.03 3.67 0.18 1.32 0.00 -0.24 -0.03 121.76 123.63 3rn3 s ALA 109 Ca 0.22 -0.69 0.11 0.00 0.00 0.00 0.00 51.96 51.60 3rn3 s ALA 109 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 3rn3 s ALA 109 CO 0.06 0.48 -0.23 0.00 0.00 0.00 0.00 175.76 176.08 3rn3 s GLU 111 N -2.60 1.23 1.53 0.00 2.02 -0.62 -4.90 118.70 115.36 3rn3 s GLU 111 Ca 0.18 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.37 3rn3 s GLU 111 Cb -0.08 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.65 3rn3 s GLU 111 CO 0.09 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.27 3rn3 n GLY 112 N -0.29 -1.67 2.86 -1.39 0.00 -1.26 -1.47 105.19 101.97 3rn3 n GLY 112 Ca -0.13 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 3rn3 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3rn3 s ASN 113 N -4.00 0.67 0.66 1.61 3.84 -1.26 -2.67 114.94 113.80 3rn3 s ASN 113 Ca 0.00 -0.06 -0.17 0.00 0.21 0.00 0.00 52.86 52.84 3rn3 s ASN 113 Cb 0.00 0.89 0.00 0.00 -0.55 0.00 0.00 41.25 41.59 3rn3 s ASN 113 CO 0.00 -0.32 1.24 -2.16 -2.79 0.00 0.00 177.10 173.06 3rn3 s PRO 114 N 2.48 2.51 -0.52 0.43 0.04 -1.26 -5.08 135.00 133.60 3rn3 s PRO 114 Ca 0.11 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 3rn3 s PRO 114 Cb -0.15 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.55 3rn3 s PRO 114 CO -0.19 -1.58 1.23 -0.47 0.04 0.00 0.00 177.00 176.03 3rn3 s TYR 115 N -1.68 2.62 0.24 0.56 5.04 -1.09 -4.92 117.35 118.12 3rn3 s TYR 115 Ca 0.78 0.57 0.02 0.00 -2.44 0.00 0.00 57.07 56.00 3rn3 s TYR 115 Cb -0.32 -4.45 -0.05 0.00 0.35 0.00 0.00 41.96 37.49 3rn3 s TYR 115 CO 0.40 -1.57 0.06 0.14 -1.34 0.00 0.00 175.55 173.24 3rn3 s VAL 116 N 4.96 0.67 0.29 3.14 -7.23 -0.54 -4.85 120.40 116.83 3rn3 s VAL 116 Ca 0.49 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 3rn3 s VAL 116 Cb -0.08 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.28 3rn3 s VAL 116 CO 0.29 -0.16 1.25 -2.84 -0.31 0.00 0.00 175.10 173.33 3rn3 s PRO 117 N -3.98 4.44 0.00 4.82 0.02 -1.26 -1.59 135.00 137.46 3rn3 s PRO 117 Ca 0.33 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3rn3 s PRO 117 Cb 0.07 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3rn3 s PRO 117 CO 0.11 -0.09 0.01 1.33 -0.33 0.00 0.00 177.00 178.03 3rn3 n VAL 118 N 1.34 0.00 -3.78 3.83 0.24 0.40 -4.57 118.33 115.79 3rn3 n VAL 118 Ca 0.01 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 3rn3 n VAL 118 Cb 0.43 1.04 -0.11 0.00 -1.47 0.00 0.00 33.84 33.72 3rn3 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3rn3 s HIS 119 N -0.38 -0.27 -0.36 6.34 3.76 -1.19 -4.64 115.29 118.55 3rn3 s HIS 119 Ca 0.00 0.64 -0.16 0.00 -0.15 0.00 0.00 55.06 55.40 3rn3 s HIS 119 Cb 0.00 0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.78 3rn3 s HIS 119 CO 0.00 -0.17 0.39 0.12 -0.85 0.00 0.00 174.74 174.24 3rn3 s PHE 120 N -0.03 3.20 -0.14 1.40 2.19 -1.26 -1.08 117.98 122.25 3rn3 s PHE 120 Ca -0.02 -0.08 -0.15 0.00 0.33 0.00 0.00 56.93 57.01 3rn3 s PHE 120 Cb -0.02 -2.74 -0.12 0.00 -1.31 0.00 0.00 43.02 38.82 3rn3 s PHE 120 CO 0.01 -0.50 0.23 0.22 1.83 0.00 0.00 175.22 177.00 3rn3 h ASP 121 N 8.52 0.00 -5.44 6.13 3.58 -1.09 -3.48 116.42 124.64 3rn3 h ASP 121 Ca -0.29 -0.40 0.22 0.00 0.42 0.00 0.00 57.03 56.99 3rn3 h ASP 121 Cb 1.13 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.09 3rn3 h ASP 121 CO 0.72 0.92 0.60 0.00 -2.88 0.00 0.00 179.24 178.60 3rn3 s ALA 122 N -2.45 -1.84 -0.00 -0.78 0.00 -1.06 -4.92 121.76 110.69 3rn3 s ALA 122 Ca -0.15 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.20 3rn3 s ALA 122 Cb 0.01 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 3rn3 s ALA 122 CO 0.37 -1.04 -0.20 -1.54 0.00 0.00 0.00 175.76 173.36 3rn3 s SER 123 N -2.94 2.32 0.00 0.00 1.04 -1.26 0.11 113.70 112.97 3rn3 s SER 123 Ca 0.13 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3rn3 s SER 123 Cb 0.01 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.88 3rn3 s SER 123 CO 0.00 0.23 0.00 1.33 0.98 0.00 0.00 173.24 175.78