#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpi n ASN 2 N 0.00 0.00 -3.92 7.83 3.02 -1.26 -5.16 115.26 115.77 2rpi n ASN 2 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 2rpi n ASN 2 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 2rpi n ASN 2 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2rpi n PRO 3 N -0.72 -0.84 0.03 3.52 -0.02 -1.26 -4.95 135.00 130.76 2rpi n PRO 3 Ca 0.00 -0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.02 2rpi n PRO 3 Cb 0.00 -1.25 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 2rpi n PRO 3 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2rpi h SER 4 N -1.79 0.44 0.00 2.55 4.64 -2.02 -3.40 113.55 113.97 2rpi h SER 4 Ca -0.31 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.13 2rpi h SER 4 Cb 0.97 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2rpi h SER 4 CO 0.19 1.62 0.00 -2.65 -0.87 0.00 0.00 176.83 175.13 2rpi n PRO 5 N -3.89 0.00 0.06 4.77 -0.02 -1.26 -4.88 135.00 129.78 2rpi n PRO 5 Ca -0.23 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2rpi n PRO 5 Cb 0.93 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 2rpi n PRO 5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rpi n ARG 6 N -2.56 0.00 -3.15 -0.52 1.74 -1.26 -5.08 116.66 105.83 2rpi n ARG 6 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2rpi n ARG 6 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2rpi n ARG 6 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2rpi s LYS 7 N -1.24 0.22 -0.15 5.56 2.20 -1.26 -4.64 119.74 120.43 2rpi s LYS 7 Ca 0.00 0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 2rpi s LYS 7 Cb 0.00 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 2rpi s LYS 7 CO 0.00 -0.38 1.16 0.50 -0.36 0.00 0.00 175.35 176.28 2rpi s ARG 8 N 2.94 4.29 -0.14 4.03 3.52 -1.26 -1.60 118.95 130.73 2rpi s ARG 8 Ca 0.20 1.56 -0.03 0.00 -0.13 0.00 0.00 55.73 57.33 2rpi s ARG 8 Cb -0.05 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 2rpi s ARG 8 CO -0.21 -0.58 -0.04 0.08 -0.81 0.00 0.00 175.30 173.74 2rpi s VAL 9 N 2.92 3.89 -1.07 7.11 1.01 -0.59 -4.94 120.40 128.73 2rpi s VAL 9 Ca 0.52 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 2rpi s VAL 9 Cb -0.20 -2.68 0.19 0.00 0.00 0.00 0.00 36.38 33.69 2rpi s VAL 9 CO 0.15 0.52 1.21 0.00 0.00 0.00 0.00 175.10 176.97 2rpi s ALA 10 N 0.07 4.03 -0.32 5.51 0.00 -1.26 0.11 121.76 129.91 2rpi s ALA 10 Ca -0.00 -3.33 -0.14 0.00 0.00 0.00 0.00 51.96 48.49 2rpi s ALA 10 Cb -0.13 -3.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.06 2rpi s ALA 10 CO 0.03 -2.63 0.32 -1.17 0.00 0.00 0.00 175.76 172.31 2rpi s LEU 11 N 1.02 4.33 -0.46 0.00 0.20 -1.20 -4.99 118.68 117.57 2rpi s LEU 11 Ca 0.35 -0.15 -0.17 0.00 0.69 0.00 0.00 54.13 54.85 2rpi s LEU 11 Cb -0.06 -2.29 0.05 0.00 -0.43 0.00 0.00 46.19 43.46 2rpi s LEU 11 CO -0.05 -0.26 0.46 -0.36 -0.29 0.00 0.00 176.35 175.85 2rpi s PHE 12 N 1.94 3.17 -1.07 5.38 0.08 -1.26 -0.80 117.98 125.43 2rpi s PHE 12 Ca 0.11 -0.66 -0.24 0.00 0.12 0.00 0.00 56.93 56.26 2rpi s PHE 12 Cb -0.16 -3.15 -0.11 0.00 -0.57 0.00 0.00 43.02 39.02 2rpi s PHE 12 CO 0.11 -0.82 2.01 0.95 -0.10 0.00 0.00 175.22 177.38 2rpi s THR 13 N 2.04 3.38 -0.63 0.64 -4.23 -0.57 -4.71 115.64 111.55 2rpi s THR 13 Ca 0.09 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 60.08 2rpi s THR 13 Cb -0.21 -4.20 0.38 0.00 1.34 0.00 0.00 72.50 69.81 2rpi s THR 13 CO 0.10 -0.71 1.39 -0.90 -0.54 0.00 0.00 174.62 173.95 2rpi n ASP 14 N 15.74 5.66 0.00 3.99 5.75 -1.26 -4.63 116.55 141.80 2rpi n ASP 14 Ca 0.43 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 51.47 2rpi n ASP 14 Cb 0.46 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 2rpi n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rpi n GLY 15 N -0.41 0.00 0.55 6.12 0.00 -1.26 -4.95 105.19 105.24 2rpi n GLY 15 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2rpi n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpi n ALA 16 N -1.99 0.00 -1.64 4.61 0.00 -1.26 -5.04 120.51 115.19 2rpi n ALA 16 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rpi n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2rpi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rpi n ALA 17 N -2.59 -3.03 -0.71 0.00 0.00 -1.26 -5.03 120.51 107.90 2rpi n ALA 17 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2rpi n ALA 17 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2rpi n ALA 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2rpi n LEU 18 N -0.20 0.00 -4.45 0.00 -0.00 -1.26 -4.70 117.00 106.39 2rpi n LEU 18 Ca 0.01 -0.08 -0.35 0.00 -0.00 0.00 0.00 56.01 55.59 2rpi n LEU 18 Cb 0.02 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.53 2rpi n LEU 18 CO 0.05 0.43 0.02 0.61 -0.00 0.00 0.00 177.39 178.50 2rpi n GLY 19 N 0.00 -1.69 0.31 1.47 0.00 -1.26 -4.69 105.19 99.33 2rpi n GLY 19 Ca 0.00 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.58 2rpi n GLY 19 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2rpi h ASN 20 N -0.81 -0.52 0.07 1.61 -0.73 -2.02 0.57 115.58 113.74 2rpi h ASN 20 Ca -0.45 0.25 -0.00 0.00 1.87 0.00 0.00 56.30 57.96 2rpi h ASN 20 Cb 1.32 0.45 0.00 0.00 0.27 0.00 0.00 38.32 40.36 2rpi h ASN 20 CO 0.39 -0.27 -0.03 -0.65 -0.37 0.00 0.00 177.43 176.50 2rpi h PRO 21 N 0.05 -0.09 0.00 6.67 0.11 -2.04 -3.49 132.00 133.19 2rpi h PRO 21 Ca 0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2rpi h PRO 21 Cb 0.89 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2rpi h PRO 21 CO -0.83 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 177.41 2rpi n GLY 22 N -0.85 1.94 0.10 -0.55 0.00 0.20 -4.78 105.19 101.25 2rpi n GLY 22 Ca -0.08 -2.10 0.05 0.00 0.00 0.00 0.00 46.02 43.89 2rpi n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rpi n PRO 23 N -1.33 0.07 0.14 1.61 -0.02 -1.26 -3.33 135.00 130.88 2rpi n PRO 23 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2rpi n PRO 23 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2rpi n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rpi n GLY 24 N -1.31 -0.21 0.00 -1.23 0.00 -1.26 -3.65 105.19 97.52 2rpi n GLY 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2rpi n GLY 24 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rpi n THR 25 N -1.49 0.00 0.05 2.61 5.66 -1.24 -5.01 114.28 114.87 2rpi n THR 25 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2rpi n THR 25 Cb 0.61 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.41 2rpi n THR 25 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 2rpi h THR 26 N 0.00 1.38 -0.63 1.09 1.35 -1.62 -2.34 112.91 112.15 2rpi h THR 26 Ca 0.00 -2.14 0.02 0.00 -0.55 0.00 0.00 66.41 63.73 2rpi h THR 26 Cb 0.00 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 68.50 2rpi h THR 26 CO 0.00 0.64 0.41 -1.13 -0.25 0.00 0.00 175.52 175.19 2rpi h ASN 27 N 0.27 0.69 -0.63 5.36 -0.00 -1.79 1.85 115.58 121.32 2rpi h ASN 27 Ca -0.03 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.22 2rpi h ASN 27 Cb 1.31 -0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 39.44 2rpi h ASN 27 CO 0.13 0.49 0.26 0.78 -0.00 0.00 0.00 177.43 179.09 2rpi h ASN 28 N 0.82 0.87 -0.56 1.15 2.35 -1.83 0.66 115.58 119.03 2rpi h ASN 28 Ca 0.24 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 2rpi h ASN 28 Cb -0.05 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2rpi h ASN 28 CO -0.07 0.79 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.32 2rpi h ARG 29 N 0.88 1.05 -0.51 0.81 2.43 -0.70 0.41 114.38 118.75 2rpi h ARG 29 Ca 0.21 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 2rpi h ARG 29 Cb 0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2rpi h ARG 29 CO -0.02 1.08 -0.01 0.52 -1.51 0.00 0.00 179.97 180.02 2rpi h MET 30 N 0.94 0.91 -0.29 0.20 2.86 0.35 1.75 114.93 121.64 2rpi h MET 30 Ca 0.15 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 2rpi h MET 30 Cb 0.66 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2rpi h MET 30 CO 0.05 0.94 -0.19 0.93 1.06 0.00 0.00 176.91 179.70 2rpi h GLU 31 N 0.77 0.53 -0.45 1.72 5.08 0.54 0.34 114.58 123.13 2rpi h GLU 31 Ca 0.14 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 2rpi h GLU 31 Cb 0.54 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2rpi h GLU 31 CO 0.03 0.70 -0.26 1.25 -1.00 0.00 0.00 179.01 179.72 2rpi h LEU 32 N 0.48 1.00 -0.46 1.33 5.85 0.67 -0.91 115.31 123.28 2rpi h LEU 32 Ca 0.08 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 2rpi h LEU 32 Cb 0.60 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2rpi h LEU 32 CO 0.04 1.20 0.18 0.50 -0.34 0.00 0.00 178.44 180.02 2rpi h LYS 33 N 0.81 0.69 0.00 1.25 3.11 0.35 -1.36 116.57 121.42 2rpi h LYS 33 Ca 0.09 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 2rpi h LYS 33 Cb 0.85 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.96 2rpi h LYS 33 CO 0.07 0.63 -0.27 0.00 -2.81 0.00 0.00 179.45 177.07 2rpi h ALA 34 N 1.02 1.47 0.44 5.00 0.00 -0.23 -2.53 119.26 124.43 2rpi h ALA 34 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2rpi h ALA 34 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2rpi h ALA 34 CO -0.01 0.34 -0.21 0.00 0.00 0.00 0.00 179.25 179.37 2rpi h ALA 35 N 1.73 -0.59 -0.97 0.00 0.00 -0.44 0.86 119.26 119.84 2rpi h ALA 35 Ca -0.00 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.92 2rpi h ALA 35 Cb 0.50 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 2rpi h ALA 35 CO 0.04 -0.63 0.61 0.97 0.00 0.00 0.00 179.25 180.24 2rpi h ILE 36 N -0.99 0.69 -0.13 0.00 -0.00 -1.21 0.63 117.51 116.50 2rpi h ILE 36 Ca -0.06 -0.21 -0.20 0.00 -0.00 0.00 0.00 64.86 64.39 2rpi h ILE 36 Cb 0.56 0.01 0.00 0.00 -0.00 0.00 0.00 36.82 37.40 2rpi h ILE 36 CO 0.10 0.11 -0.73 -0.33 -0.00 0.00 0.00 178.15 177.30 2rpi h GLU 37 N 0.62 0.62 0.00 2.19 4.39 -1.34 0.17 114.58 121.23 2rpi h GLU 37 Ca 0.54 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2rpi h GLU 37 Cb 1.03 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2rpi h GLU 37 CO -0.30 1.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.07 2rpi n GLY 38 N 0.59 -0.87 0.00 -3.84 0.00 0.30 0.06 105.19 101.43 2rpi n GLY 38 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2rpi n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rpi n LEU 39 N -1.20 0.00 -0.03 0.99 4.77 0.36 -4.67 117.00 117.22 2rpi n LEU 39 Ca 0.11 -0.12 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 2rpi n LEU 39 Cb 0.13 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.06 2rpi n LEU 39 CO 0.14 0.00 -0.84 1.17 -1.33 0.00 0.00 177.39 176.53 2rpi n LYS 40 N -1.13 0.67 -0.09 3.23 4.81 0.60 -3.48 118.16 122.76 2rpi n LYS 40 Ca 0.00 -0.12 0.06 0.00 -0.87 0.00 0.00 58.31 57.37 2rpi n LYS 40 Cb 0.00 -1.54 0.21 0.00 0.02 0.00 0.00 35.03 33.73 2rpi n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rpi n ALA 41 N -2.41 2.49 0.06 3.14 0.00 0.11 -4.25 120.51 119.65 2rpi n ALA 41 Ca -0.13 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2rpi n ALA 41 Cb 0.75 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2rpi n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rpi n LEU 42 N 0.08 0.83 -0.97 0.00 4.77 -1.26 -4.99 117.00 115.47 2rpi n LEU 42 Ca 0.10 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2rpi n LEU 42 Cb 0.20 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2rpi n LEU 42 CO 0.07 -0.68 -0.12 0.29 -1.33 0.00 0.00 177.39 175.63 2rpi n LYS 43 N -3.43 -1.65 -3.46 3.23 5.02 -1.23 -4.91 118.16 111.73 2rpi n LYS 43 Ca 0.00 0.90 -0.43 0.00 -2.02 0.00 0.00 58.31 56.76 2rpi n LYS 43 Cb 0.05 -5.28 -0.07 0.00 -0.02 0.00 0.00 35.03 29.72 2rpi n LYS 43 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2rpi s GLU 44 N -2.99 2.71 -0.69 1.97 0.41 -1.26 -5.02 118.70 113.83 2rpi s GLU 44 Ca 0.00 -1.80 -0.38 0.00 -0.41 0.00 0.00 54.97 52.38 2rpi s GLU 44 Cb 0.00 -4.08 -0.19 0.00 -1.78 0.00 0.00 34.13 28.08 2rpi s GLU 44 CO 0.00 -1.25 2.37 -2.30 -0.49 0.00 0.00 175.26 173.60 2rpi n PRO 45 N 4.95 0.11 -4.00 0.39 -0.02 -1.26 -4.89 135.00 130.28 2rpi n PRO 45 Ca -0.09 0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.33 2rpi n PRO 45 Cb 0.41 -1.63 -0.10 0.00 -0.02 0.00 0.00 33.50 32.16 2rpi n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rpi s ALA 46 N 7.47 0.17 -1.23 3.55 0.00 -1.26 -4.47 121.76 125.99 2rpi s ALA 46 Ca 1.25 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 2rpi s ALA 46 Cb -1.32 0.21 0.12 0.00 0.00 0.00 0.00 23.12 22.13 2rpi s ALA 46 CO 0.57 -0.26 1.56 -1.21 0.00 0.00 0.00 175.76 176.42 2rpi s GLU 47 N -2.43 4.01 -0.43 0.00 2.02 -0.63 -2.78 118.70 118.47 2rpi s GLU 47 Ca -0.07 -2.24 -0.29 0.00 0.02 0.00 0.00 54.97 52.39 2rpi s GLU 47 Cb -0.03 -5.28 0.02 0.00 0.10 0.00 0.00 34.13 28.94 2rpi s GLU 47 CO -0.04 -2.01 1.28 0.08 0.02 0.00 0.00 175.26 174.59 2rpi s VAL 48 N 2.93 4.07 -1.44 2.63 1.01 -1.26 -1.54 120.40 126.80 2rpi s VAL 48 Ca 0.48 1.10 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 2rpi s VAL 48 Cb 0.00 -4.38 0.05 0.00 0.00 0.00 0.00 36.38 32.05 2rpi s VAL 48 CO 0.03 -0.84 2.17 -0.67 0.00 0.00 0.00 175.10 175.78 2rpi n ASP 49 N 8.27 4.01 -4.58 3.32 -0.08 0.31 0.02 116.55 127.82 2rpi n ASP 49 Ca 0.14 -2.85 -0.41 0.00 -1.51 0.00 0.00 54.79 50.16 2rpi n ASP 49 Cb 0.48 -1.67 -0.03 0.00 2.34 0.00 0.00 41.12 42.25 2rpi n ASP 49 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2rpi s LEU 50 N 2.41 3.45 -0.48 -2.67 0.20 -0.81 -3.28 118.68 117.50 2rpi s LEU 50 Ca 0.48 0.97 -0.22 0.00 0.69 0.00 0.00 54.13 56.05 2rpi s LEU 50 Cb 0.13 -3.20 0.04 0.00 -0.43 0.00 0.00 46.19 42.72 2rpi s LEU 50 CO -0.07 -1.90 0.75 -0.31 -0.29 0.00 0.00 176.35 174.53 2rpi s TYR 51 N 7.50 2.98 -0.18 5.38 1.51 0.02 -1.99 117.35 132.57 2rpi s TYR 51 Ca 0.75 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.74 2rpi s TYR 51 Cb -0.19 -3.65 0.03 0.00 -0.11 0.00 0.00 41.96 38.04 2rpi s TYR 51 CO 0.30 -1.05 -0.18 -0.08 -1.11 0.00 0.00 175.55 173.43 2rpi s THR 52 N 3.19 1.99 -0.66 -0.71 -1.32 -1.19 -1.52 115.64 115.42 2rpi s THR 52 Ca 0.25 -0.97 -0.02 0.00 -1.21 0.00 0.00 61.69 59.74 2rpi s THR 52 Cb -0.14 -1.84 0.39 0.00 -1.51 0.00 0.00 72.50 69.39 2rpi s THR 52 CO 0.19 0.45 2.06 -0.90 -2.21 0.00 0.00 174.62 174.22 2rpi n ASP 53 N 4.62 7.49 -4.92 8.08 5.75 -1.26 -3.49 116.55 132.83 2rpi n ASP 53 Ca -0.19 -3.70 -0.28 0.00 -0.01 0.00 0.00 54.79 50.61 2rpi n ASP 53 Cb 0.49 -1.02 -0.04 0.00 -1.03 0.00 0.00 41.12 39.53 2rpi n ASP 53 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2rpi s SER 54 N -1.37 6.26 0.00 -1.12 0.01 -1.26 -4.92 113.70 111.30 2rpi s SER 54 Ca 0.58 0.17 0.22 0.00 1.31 0.00 0.00 55.95 58.24 2rpi s SER 54 Cb 0.46 -1.88 0.56 0.00 0.21 0.00 0.00 66.02 65.37 2rpi s SER 54 CO -0.10 0.09 1.46 1.41 0.41 0.00 0.00 173.24 176.51 2rpi n HIS 55 N -0.26 0.32 -0.07 2.43 8.25 -1.26 -3.75 115.22 120.87 2rpi n HIS 55 Ca -0.07 -0.16 -0.14 0.00 -0.26 0.00 0.00 57.72 57.10 2rpi n HIS 55 Cb 0.53 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 2rpi n HIS 55 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2rpi n TYR 56 N 0.96 0.00 -0.12 4.41 9.36 -1.26 -4.00 117.16 126.51 2rpi n TYR 56 Ca 0.18 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.30 2rpi n TYR 56 Cb 0.49 -0.52 -0.01 0.00 -0.63 0.00 0.00 39.34 38.66 2rpi n TYR 56 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2rpi h LEU 57 N -0.37 0.50 0.50 2.98 4.07 -1.93 -1.64 115.31 119.43 2rpi h LEU 57 Ca -0.35 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.41 2rpi h LEU 57 Cb 1.36 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2rpi h LEU 57 CO -0.17 0.54 -0.24 0.50 -1.08 0.00 0.00 178.44 177.99 2rpi h LYS 58 N 0.44 -0.65 -0.75 1.13 3.64 -1.83 -2.83 116.57 115.72 2rpi h LYS 58 Ca 0.12 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 2rpi h LYS 58 Cb 0.20 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 32.04 2rpi h LYS 58 CO -0.01 -0.36 -0.41 -0.22 -2.27 0.00 0.00 179.45 176.19 2rpi h LYS 59 N -1.08 -0.11 0.44 1.90 3.64 -1.69 1.46 116.57 121.13 2rpi h LYS 59 Ca -0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2rpi h LYS 59 Cb 0.58 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2rpi h LYS 59 CO 0.11 -0.08 -0.50 0.00 -2.27 0.00 0.00 179.45 176.72 2rpi h ALA 60 N 0.96 -1.12 -0.54 5.00 0.00 -1.35 0.28 119.26 122.48 2rpi h ALA 60 Ca 0.25 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2rpi h ALA 60 Cb 0.56 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2rpi h ALA 60 CO -0.81 -1.17 -0.07 0.74 0.00 0.00 0.00 179.25 177.95 2rpi h PHE 61 N -0.95 1.07 0.00 0.00 -1.00 -1.14 -2.92 116.94 112.01 2rpi h PHE 61 Ca -0.05 -0.20 -0.03 0.00 2.81 0.00 0.00 57.97 60.50 2rpi h PHE 61 Cb 0.84 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.12 2rpi h PHE 61 CO -0.28 0.99 -0.13 1.79 -1.61 0.00 0.00 178.31 179.07 2rpi h THR 62 N 0.88 0.31 0.00 -1.55 1.35 0.21 -2.16 112.91 111.96 2rpi h THR 62 Ca 0.15 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2rpi h THR 62 Cb 0.61 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2rpi h THR 62 CO 0.04 0.13 0.00 -0.62 -0.25 0.00 0.00 175.52 174.82 2rpi n GLU 63 N -3.26 0.57 -0.33 4.72 1.02 0.96 -4.86 120.64 119.47 2rpi n GLU 63 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2rpi n GLU 63 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2rpi n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpi n GLY 64 N 1.18 0.00 0.00 0.62 0.00 -0.81 -4.64 105.19 101.54 2rpi n GLY 64 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2rpi n GLY 64 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rpi n TRP 65 N -0.62 0.00 -0.20 1.61 2.14 -1.26 -3.54 117.44 115.57 2rpi n TRP 65 Ca 0.00 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.56 2rpi n TRP 65 Cb 0.09 0.00 0.22 0.00 -0.81 0.00 0.00 31.31 30.80 2rpi n TRP 65 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 2rpi h LEU 66 N 0.00 0.86 -0.38 5.67 6.46 -1.82 0.18 115.31 126.27 2rpi h LEU 66 Ca 0.00 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 2rpi h LEU 66 Cb 0.00 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.67 2rpi h LEU 66 CO 0.00 0.69 0.13 -0.08 -0.62 0.00 0.00 178.44 178.57 2rpi h GLU 67 N 0.97 0.28 -0.69 1.25 4.81 -1.96 -0.06 114.58 119.18 2rpi h GLU 67 Ca 0.25 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 2rpi h GLU 67 Cb 0.03 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2rpi h GLU 67 CO -0.04 0.19 0.43 0.78 -0.73 0.00 0.00 179.01 179.64 2rpi h GLY 68 N 0.29 1.00 -0.70 1.92 0.00 -1.48 -1.82 103.07 102.28 2rpi h GLY 68 Ca 0.17 -0.33 0.20 0.00 0.00 0.00 0.00 47.33 47.37 2rpi h GLY 68 CO -0.17 0.28 -0.10 1.49 0.00 0.00 0.00 176.54 178.03 2rpi h TRP 69 N 0.85 -0.25 -0.56 5.60 4.06 0.93 2.15 115.95 128.73 2rpi h TRP 69 Ca 0.28 0.07 -0.01 0.00 2.06 0.00 0.00 58.89 61.29 2rpi h TRP 69 Cb 0.02 0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.40 2rpi h TRP 69 CO -0.04 -0.35 0.29 0.00 -3.56 0.00 0.00 178.44 174.78 2rpi h ARG 70 N 0.03 0.79 -0.00 0.49 3.08 -0.95 -1.33 114.38 116.50 2rpi h ARG 70 Ca 0.46 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2rpi h ARG 70 Cb 0.81 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2rpi h ARG 70 CO -0.85 0.63 -0.03 1.63 -1.07 0.00 0.00 179.97 180.28 2rpi n LYS 71 N -4.58 0.51 -0.15 0.04 4.01 0.19 -3.07 118.16 115.11 2rpi n LYS 71 Ca 0.03 -0.05 0.11 0.00 -0.51 0.00 0.00 58.31 57.89 2rpi n LYS 71 Cb 0.10 -1.50 0.26 0.00 -0.51 0.00 0.00 35.03 33.38 2rpi n LYS 71 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2rpi n ARG 72 N -1.20 2.26 -0.76 1.97 1.74 0.67 -4.90 116.66 116.44 2rpi n ARG 72 Ca 0.15 -1.90 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 2rpi n ARG 72 Cb 0.24 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2rpi n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rpi n GLY 73 N 1.38 0.24 1.86 -0.13 0.00 -1.10 -3.93 105.19 103.52 2rpi n GLY 73 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2rpi n GLY 73 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rpi n TRP 74 N -2.10 -1.25 -4.06 1.61 7.02 -0.76 -5.02 117.44 112.88 2rpi n TRP 74 Ca 0.00 0.59 -0.10 0.00 -1.02 0.00 0.00 57.50 56.97 2rpi n TRP 74 Cb 0.12 -2.26 -0.08 0.00 -2.42 0.00 0.00 31.31 26.66 2rpi n TRP 74 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rpi s ARG 75 N -0.57 1.16 0.77 -0.99 3.00 -1.25 -3.75 118.95 117.31 2rpi s ARG 75 Ca -0.02 -1.34 -0.08 0.00 0.00 0.00 0.00 55.73 54.30 2rpi s ARG 75 Cb 0.00 0.33 0.10 0.00 0.00 0.00 0.00 34.95 35.39 2rpi s ARG 75 CO 0.24 -0.40 1.09 0.95 0.00 0.00 0.00 175.30 177.17 2rpi s THR 76 N -4.03 2.18 -0.21 0.02 -4.23 0.34 -4.72 115.64 104.98 2rpi s THR 76 Ca 0.24 -0.24 0.15 0.00 -1.18 0.00 0.00 61.69 60.65 2rpi s THR 76 Cb 0.05 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 71.10 2rpi s THR 76 CO 0.04 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.51 2rpi n ALA 77 N -3.11 0.83 -0.02 3.99 0.00 -1.26 -0.66 120.51 120.28 2rpi n ALA 77 Ca 0.10 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 2rpi n ALA 77 Cb 0.60 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.90 2rpi n ALA 77 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2rpi h GLU 78 N 0.00 0.18 0.00 0.00 4.81 -1.99 -3.48 114.58 114.10 2rpi h GLU 78 Ca 0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2rpi h GLU 78 Cb 0.28 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2rpi h GLU 78 CO 0.00 1.15 0.00 0.41 -0.73 0.00 0.00 179.01 179.84 2rpi n GLY 79 N 1.69 0.12 3.90 1.92 0.00 0.17 -5.14 105.19 107.84 2rpi n GLY 79 Ca -0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 2rpi n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rpi s LYS 80 N 0.00 3.22 0.90 1.61 0.00 -1.26 -4.72 119.74 119.50 2rpi s LYS 80 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 55.97 55.03 2rpi s LYS 80 Cb 0.00 -2.80 -0.08 0.00 0.00 0.00 0.00 37.83 34.95 2rpi s LYS 80 CO 0.00 0.47 -0.20 -2.30 0.00 0.00 0.00 175.35 173.31 2rpi n PRO 81 N -0.83 -0.05 -3.39 1.78 -0.02 -1.26 0.13 135.00 131.35 2rpi n PRO 81 Ca -0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 2rpi n PRO 81 Cb 0.56 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 2rpi n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rpi s VAL 82 N -2.11 5.01 0.26 -1.45 1.01 -1.25 -4.14 120.40 117.73 2rpi s VAL 82 Ca 0.50 0.97 -0.25 0.00 0.00 0.00 0.00 61.98 63.19 2rpi s VAL 82 Cb -0.24 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 2rpi s VAL 82 CO 0.74 0.49 0.87 -0.54 0.00 0.00 0.00 175.10 176.66 2rpi s LYS 83 N -0.54 4.57 0.00 2.72 -0.14 -1.26 -3.23 119.74 121.85 2rpi s LYS 83 Ca 0.26 1.24 0.00 0.00 -1.36 0.00 0.00 55.97 56.11 2rpi s LYS 83 Cb -0.17 -2.99 0.00 0.00 -1.68 0.00 0.00 37.83 33.00 2rpi s LYS 83 CO 0.14 0.40 0.00 0.09 -0.76 0.00 0.00 175.35 175.22 2rpi n ASN 84 N 0.95 -2.63 -0.21 2.83 5.03 -1.26 -4.86 115.26 115.11 2rpi n ASN 84 Ca -0.01 0.00 0.30 0.00 0.87 0.00 0.00 54.58 55.74 2rpi n ASN 84 Cb 0.49 -1.05 0.63 0.00 -1.02 0.00 0.00 39.78 38.84 2rpi n ASN 84 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2rpi h ARG 85 N 1.20 0.00 -0.04 3.52 -0.00 -1.97 1.19 114.38 118.28 2rpi h ARG 85 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.76 2rpi h ARG 85 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.16 2rpi h ARG 85 CO 0.00 0.00 -0.84 0.22 -0.00 0.00 0.00 179.97 179.35 2rpi h ASP 86 N 0.00 0.81 -0.32 0.08 3.58 -1.89 0.20 116.42 118.88 2rpi h ASP 86 Ca 0.48 -0.71 -0.10 0.00 0.42 0.00 0.00 57.03 57.11 2rpi h ASP 86 Cb 2.41 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 43.20 2rpi h ASP 86 CO -0.01 1.41 -0.20 -0.07 -2.88 0.00 0.00 179.24 177.50 2rpi h LEU 87 N 0.28 0.73 0.62 2.28 3.38 0.91 -2.31 115.31 121.21 2rpi h LEU 87 Ca -0.09 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 2rpi h LEU 87 Cb 1.50 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 42.06 2rpi h LEU 87 CO 0.17 1.00 -0.30 -0.50 0.09 0.00 0.00 178.44 178.90 2rpi h TRP 88 N 0.47 -0.78 -0.76 1.13 4.06 -0.75 0.81 115.95 120.13 2rpi h TRP 88 Ca 0.07 -0.02 0.22 0.00 2.06 0.00 0.00 58.89 61.22 2rpi h TRP 88 Cb 0.74 0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 29.13 2rpi h TRP 88 CO 0.06 -0.48 0.63 0.93 -3.56 0.00 0.00 178.44 176.02 2rpi h GLU 89 N -0.96 0.00 0.14 0.49 5.08 -0.68 1.38 114.58 120.04 2rpi h GLU 89 Ca -0.09 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.01 2rpi h GLU 89 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2rpi h GLU 89 CO 0.14 0.00 -1.27 0.00 -1.00 0.00 0.00 179.01 176.88 2rpi h ALA 90 N 1.47 0.07 -0.56 3.43 0.00 -1.20 -2.68 119.26 119.79 2rpi h ALA 90 Ca 0.36 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2rpi h ALA 90 Cb 1.61 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 2rpi h ALA 90 CO -0.00 0.70 0.19 1.25 0.00 0.00 0.00 179.25 181.38 2rpi h LEU 91 N -0.26 0.80 -0.39 0.00 6.46 0.37 0.42 115.31 122.72 2rpi h LEU 91 Ca -0.26 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 2rpi h LEU 91 Cb 1.79 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 41.49 2rpi h LEU 91 CO 0.11 0.79 0.21 0.25 -0.62 0.00 0.00 178.44 179.18 2rpi h LEU 92 N 0.78 0.49 -0.87 2.25 5.85 0.16 1.62 115.31 125.58 2rpi h LEU 92 Ca 0.18 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2rpi h LEU 92 Cb 0.26 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2rpi h LEU 92 CO -0.01 0.44 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.34 2rpi h LEU 93 N 0.49 0.70 -0.06 2.25 4.07 -1.28 -2.08 115.31 119.40 2rpi h LEU 93 Ca 0.14 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2rpi h LEU 93 Cb 0.07 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.62 2rpi h LEU 93 CO -0.02 0.84 0.00 0.00 -1.08 0.00 0.00 178.44 178.18 2rpi n ALA 94 N -2.48 2.23 1.31 1.53 0.00 0.15 -3.14 120.51 120.10 2rpi n ALA 94 Ca 0.01 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2rpi n ALA 94 Cb 0.36 -1.46 0.39 0.00 0.00 0.00 0.00 19.45 18.74 2rpi n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rpi n MET 95 N -2.18 1.28 0.01 0.00 2.81 0.55 -4.24 117.12 115.34 2rpi n MET 95 Ca 0.05 -0.81 -0.13 0.00 -1.81 0.00 0.00 57.70 55.01 2rpi n MET 95 Cb 0.40 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.33 2rpi n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2rpi h ALA 96 N 4.03 -0.07 -0.53 3.04 0.00 -1.45 -3.27 119.26 121.00 2rpi h ALA 96 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2rpi h ALA 96 Cb 0.55 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2rpi h ALA 96 CO 0.00 -0.27 0.31 -1.35 0.00 0.00 0.00 179.25 177.94 2rpi h PRO 97 N -0.62 0.71 -6.90 0.00 0.11 -1.78 -3.44 132.00 120.08 2rpi h PRO 97 Ca -0.01 -0.06 -0.47 0.00 0.11 0.00 0.00 66.00 65.57 2rpi h PRO 97 Cb 0.54 -0.15 0.04 0.00 0.11 0.00 0.00 31.00 31.54 2rpi h PRO 97 CO 0.01 0.51 0.04 -1.01 -0.21 0.00 0.00 178.00 177.34 2rpi s HIS 98 N -5.54 3.29 -2.62 0.65 3.76 -1.24 -4.47 115.29 109.12 2rpi s HIS 98 Ca -0.09 0.49 0.24 0.00 -0.15 0.00 0.00 55.06 55.54 2rpi s HIS 98 Cb 0.17 -2.48 0.15 0.00 1.11 0.00 0.00 32.58 31.54 2rpi s HIS 98 CO 0.76 -0.53 1.22 0.54 -0.85 0.00 0.00 174.74 175.88 2rpi n ARG 99 N -2.31 1.89 0.00 1.40 5.12 -1.12 -4.94 116.66 116.71 2rpi n ARG 99 Ca 0.02 -1.55 0.00 0.00 -1.93 0.00 0.00 57.85 54.39 2rpi n ARG 99 Cb 0.57 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 2rpi n ARG 99 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2rpi n VAL 100 N 0.80 0.00 -3.62 1.55 3.14 -1.20 -4.76 118.33 114.23 2rpi n VAL 100 Ca 0.12 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.21 2rpi n VAL 100 Cb 0.54 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.28 2rpi n VAL 100 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2rpi s ARG 101 N 0.00 3.60 -0.17 1.45 0.52 0.10 -4.87 118.95 119.58 2rpi s ARG 101 Ca 0.00 -0.14 -0.04 0.00 -0.52 0.00 0.00 55.73 55.03 2rpi s ARG 101 Cb 0.00 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 2rpi s ARG 101 CO 0.00 0.40 -0.03 -0.06 0.02 0.00 0.00 175.30 175.63 2rpi s PHE 102 N -1.79 3.02 -0.50 -0.53 0.08 -1.26 -1.93 117.98 115.06 2rpi s PHE 102 Ca 0.41 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 57.13 2rpi s PHE 102 Cb -0.12 -1.99 0.18 0.00 -0.57 0.00 0.00 43.02 40.53 2rpi s PHE 102 CO 0.27 -0.11 0.41 0.72 -0.10 0.00 0.00 175.22 176.41 2rpi n HIS 103 N 3.73 0.45 -1.56 0.36 8.25 -0.84 -4.96 115.22 120.65 2rpi n HIS 103 Ca -0.17 -3.64 -0.38 0.00 -0.26 0.00 0.00 57.72 53.27 2rpi n HIS 103 Cb 0.52 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 2rpi n HIS 103 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rpi n PHE 104 N 2.40 1.51 -2.95 4.41 3.72 -1.26 -3.18 117.46 122.10 2rpi n PHE 104 Ca 0.26 0.08 -0.44 0.00 -0.05 0.00 0.00 57.45 57.31 2rpi n PHE 104 Cb 0.44 -2.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.34 2rpi n PHE 104 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2rpi n VAL 105 N 7.93 4.54 0.48 -4.37 0.31 -1.23 -4.93 118.33 121.05 2rpi n VAL 105 Ca 0.37 -5.05 0.06 0.00 -0.01 0.00 0.00 64.34 59.71 2rpi n VAL 105 Cb 0.50 -2.42 0.05 0.00 -0.91 0.00 0.00 33.84 31.06 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80