#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpi s GLN 2 N 0.00 3.06 -0.27 0.54 0.74 -1.26 -5.09 119.66 117.38 1rpi s GLN 2 Ca 0.00 -0.82 -0.04 0.00 0.05 0.00 0.00 55.36 54.55 1rpi s GLN 2 Cb 0.00 -2.87 0.01 0.00 1.10 0.00 0.00 33.01 31.25 1rpi s GLN 2 CO 0.00 -0.28 0.01 0.42 -0.55 0.00 0.00 175.29 174.89 1rpi s ILE 3 N 1.37 3.46 0.63 -2.34 1.01 -1.26 -5.10 121.20 118.97 1rpi s ILE 3 Ca 0.03 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1rpi s ILE 3 Cb -0.15 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1rpi s ILE 3 CO -0.06 0.16 1.04 0.42 0.00 0.00 0.00 174.94 176.49 1rpi s THR 4 N 1.42 4.28 -0.37 2.92 -4.23 -1.26 -4.99 115.64 113.42 1rpi s THR 4 Ca 0.02 0.84 0.07 0.00 -1.18 0.00 0.00 61.69 61.43 1rpi s THR 4 Cb -0.17 -3.59 0.60 0.00 1.34 0.00 0.00 72.50 70.68 1rpi s THR 4 CO -0.01 -0.87 1.70 0.18 -0.54 0.00 0.00 174.62 175.07 1rpi n LEU 5 N -2.63 5.46 0.18 4.79 4.77 -1.26 -4.43 117.00 123.89 1rpi n LEU 5 Ca 0.07 -3.67 0.02 0.00 -0.03 0.00 0.00 56.01 52.40 1rpi n LEU 5 Cb 0.54 -0.74 0.34 0.00 -2.33 0.00 0.00 43.42 41.22 1rpi n LEU 5 CO 0.54 1.14 0.69 -0.50 -1.33 0.00 0.00 177.39 177.93 1rpi h TRP 6 N 1.07 0.00 -1.87 -1.77 4.06 -2.05 -3.44 115.95 111.95 1rpi h TRP 6 Ca 0.42 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.76 1rpi h TRP 6 Cb 2.27 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 30.31 1rpi h TRP 6 CO 1.32 0.41 -0.64 -0.65 -3.56 0.00 0.00 178.44 175.31 1rpi s GLN 7 N -4.02 1.93 0.21 0.49 -1.52 -1.26 -5.09 119.66 110.40 1rpi s GLN 7 Ca -0.02 -1.90 -0.32 0.00 -1.95 0.00 0.00 55.36 51.16 1rpi s GLN 7 Cb 0.14 -1.77 -0.13 0.00 -0.22 0.00 0.00 33.01 31.02 1rpi s GLN 7 CO 0.72 0.10 1.61 0.54 -0.25 0.00 0.00 175.29 178.01 1rpi n ARG 8 N -0.89 2.42 -1.86 2.91 1.74 -1.26 -4.86 116.66 114.86 1rpi n ARG 8 Ca -0.05 0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 1rpi n ARG 8 Cb 0.64 -2.65 -0.01 0.00 -1.02 0.00 0.00 32.46 29.42 1rpi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1rpi n PRO 9 N 3.23 2.71 -3.25 5.56 -0.04 -1.26 -4.93 135.00 137.01 1rpi n PRO 9 Ca 0.15 -2.65 -0.38 0.00 -0.04 0.00 0.00 63.50 60.57 1rpi n PRO 9 Cb 0.32 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 1rpi n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rpi s ILE 10 N 3.98 5.09 0.28 0.52 1.01 -1.26 -0.78 121.20 130.04 1rpi s ILE 10 Ca 0.51 1.11 0.04 0.00 0.00 0.00 0.00 60.65 62.30 1rpi s ILE 10 Cb 0.11 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1rpi s ILE 10 CO -0.02 0.34 0.04 0.68 0.00 0.00 0.00 174.94 175.98 1rpi s VAL 11 N 0.40 1.09 -0.18 2.92 -7.23 0.38 -4.89 120.40 112.89 1rpi s VAL 11 Ca 0.29 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.29 1rpi s VAL 11 Cb -0.16 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1rpi s VAL 11 CO 0.13 -0.12 0.35 -0.89 -0.31 0.00 0.00 175.10 174.27 1rpi s THR 12 N -3.38 5.25 0.18 5.32 2.01 -1.26 0.15 115.64 123.91 1rpi s THR 12 Ca 0.34 0.65 0.11 0.00 0.31 0.00 0.00 61.69 63.09 1rpi s THR 12 Cb 0.07 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1rpi s THR 12 CO 0.13 0.32 -0.20 0.27 -0.69 0.00 0.00 174.62 174.45 1rpi s ILE 13 N 0.88 2.60 -0.24 1.82 -4.36 0.18 -2.94 121.20 119.13 1rpi s ILE 13 Ca 0.18 -1.88 -0.04 0.00 -0.26 0.00 0.00 60.65 58.65 1rpi s ILE 13 Cb -0.14 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 1rpi s ILE 13 CO 0.06 -0.09 -0.01 -0.75 0.24 0.00 0.00 174.94 174.40 1rpi s LYS 14 N -2.63 3.25 -0.05 0.37 2.20 -0.44 -0.04 119.74 122.40 1rpi s LYS 14 Ca 0.21 -0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 55.04 1rpi s LYS 14 Cb -0.08 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 1rpi s LYS 14 CO 0.11 -0.28 0.17 -1.50 -0.36 0.00 0.00 175.35 173.49 1rpi s ILE 15 N 1.47 0.02 -1.38 5.43 2.07 -0.52 -2.12 121.20 126.17 1rpi s ILE 15 Ca 0.04 -0.17 -0.14 0.00 -1.41 0.00 0.00 60.65 58.98 1rpi s ILE 15 Cb -0.15 -0.30 0.12 0.00 0.13 0.00 0.00 42.46 42.26 1rpi s ILE 15 CO -0.02 -0.09 0.54 0.61 -1.91 0.00 0.00 174.94 174.07 1rpi n GLY 16 N 2.60 -0.46 4.41 1.50 0.00 -1.26 0.42 105.19 112.39 1rpi n GLY 16 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1rpi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpi n GLY 17 N -1.14 1.72 3.77 -0.02 0.00 -1.26 -4.97 105.19 103.30 1rpi n GLY 17 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1rpi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rpi s GLN 18 N 0.00 3.49 -0.22 1.61 -0.21 0.17 -5.03 119.66 119.48 1rpi s GLN 18 Ca 0.00 1.76 -0.10 0.00 0.02 0.00 0.00 55.36 57.04 1rpi s GLN 18 Cb 0.00 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 1rpi s GLN 18 CO 0.00 -0.77 0.13 -0.51 -2.12 0.00 0.00 175.29 172.03 1rpi s LEU 19 N -3.43 4.08 0.14 2.90 1.43 -1.26 -1.44 118.68 121.09 1rpi s LEU 19 Ca 0.69 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1rpi s LEU 19 Cb -0.28 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1rpi s LEU 19 CO 0.33 0.12 -0.04 -0.54 0.23 0.00 0.00 176.35 176.45 1rpi s LYS 20 N 0.72 1.00 -0.18 1.70 1.02 0.95 -4.98 119.74 119.96 1rpi s LYS 20 Ca 0.07 -1.44 -0.08 0.00 0.02 0.00 0.00 55.97 54.53 1rpi s LYS 20 Cb -0.12 -0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 1rpi s LYS 20 CO 0.02 -0.06 0.09 -2.00 -0.92 0.00 0.00 175.35 172.48 1rpi s GLU 21 N -3.86 4.03 0.06 1.68 2.56 -1.26 0.47 118.70 122.38 1rpi s GLU 21 Ca 0.18 -0.28 -0.11 0.00 0.00 0.00 0.00 54.97 54.76 1rpi s GLU 21 Cb 0.05 -3.29 0.01 0.00 2.00 0.00 0.00 34.13 32.90 1rpi s GLU 21 CO 0.00 0.32 0.24 0.00 -0.56 0.00 0.00 175.26 175.26 1rpi s ALA 22 N 0.27 -0.45 -0.15 6.30 0.00 0.39 -4.55 121.76 123.56 1rpi s ALA 22 Ca 0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 1rpi s ALA 22 Cb -0.12 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1rpi s ALA 22 CO -0.01 -0.42 0.23 -1.17 0.00 0.00 0.00 175.76 174.39 1rpi s LEU 23 N -2.29 4.28 -0.61 0.00 2.96 -0.83 0.14 118.68 122.33 1rpi s LEU 23 Ca -0.02 0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 54.08 1rpi s LEU 23 Cb 0.01 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.46 1rpi s LEU 23 CO -0.06 0.20 1.27 -0.76 -1.32 0.00 0.00 176.35 175.69 1rpi s LEU 24 N 0.01 3.37 -0.57 -0.68 1.43 0.04 -1.21 118.68 121.06 1rpi s LEU 24 Ca 0.15 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 1rpi s LEU 24 Cb -0.13 -3.00 0.15 0.00 0.03 0.00 0.00 46.19 43.25 1rpi s LEU 24 CO 0.03 -1.63 0.40 0.21 0.23 0.00 0.00 176.35 175.60 1rpi s ASN 25 N 3.54 5.42 0.30 2.29 3.84 -0.52 -4.78 114.94 125.04 1rpi s ASN 25 Ca 0.44 -2.54 0.24 0.00 0.21 0.00 0.00 52.86 51.21 1rpi s ASN 25 Cb -0.08 -1.90 1.08 0.00 -0.55 0.00 0.00 41.25 39.80 1rpi s ASN 25 CO 0.23 -0.47 1.74 0.71 -2.79 0.00 0.00 177.10 176.52 1rpi h THR 26 N 5.59 0.00 0.00 -5.21 1.35 -1.93 -0.14 112.91 112.57 1rpi h THR 26 Ca -0.06 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1rpi h THR 26 Cb 1.00 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1rpi h THR 26 CO 0.73 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1rpi n GLY 27 N -0.27 -1.22 3.58 5.82 0.00 -1.26 -4.79 105.19 107.05 1rpi n GLY 27 Ca 0.01 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1rpi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpi s ALA 28 N -3.03 3.12 0.08 4.61 0.00 -0.06 -5.01 121.76 121.46 1rpi s ALA 28 Ca 0.09 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 1rpi s ALA 28 Cb 0.13 -1.52 -0.21 0.00 0.00 0.00 0.00 23.12 21.52 1rpi s ALA 28 CO 0.38 0.37 1.22 -0.44 0.00 0.00 0.00 175.76 177.29 1rpi h ASP 29 N 6.04 0.90 -2.07 0.00 3.45 -1.86 0.91 116.42 123.79 1rpi h ASP 29 Ca -0.40 -0.70 -0.55 0.00 0.43 0.00 0.00 57.03 55.81 1rpi h ASP 29 Cb 1.19 -0.27 -0.09 0.00 -0.56 0.00 0.00 39.33 39.60 1rpi h ASP 29 CO 0.60 1.48 -0.60 -1.81 -1.57 0.00 0.00 179.24 177.33 1rpi s ASP 30 N -7.19 4.62 -0.19 6.45 1.01 -1.26 -2.11 116.67 118.00 1rpi s ASP 30 Ca -0.10 -0.69 -0.16 0.00 0.71 0.00 0.00 52.55 52.30 1rpi s ASP 30 Cb 0.07 -0.81 -0.04 0.00 1.01 0.00 0.00 42.92 43.15 1rpi s ASP 30 CO 0.91 -0.12 0.40 -0.89 0.21 0.00 0.00 175.17 175.67 1rpi s THR 31 N -2.36 5.21 -0.06 -1.27 2.01 -1.26 -3.31 115.64 114.59 1rpi s THR 31 Ca 0.34 0.72 0.02 0.00 0.31 0.00 0.00 61.69 63.08 1rpi s THR 31 Cb -0.05 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1rpi s THR 31 CO 0.21 0.28 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 1rpi s VAL 32 N 1.14 1.18 0.06 3.82 1.01 -0.56 -0.35 120.40 126.71 1rpi s VAL 32 Ca 0.20 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1rpi s VAL 32 Cb -0.15 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1rpi s VAL 32 CO 0.08 0.36 -0.11 -0.76 0.00 0.00 0.00 175.10 174.67 1rpi s LEU 33 N 0.58 2.28 0.65 3.92 1.43 0.12 -0.53 118.68 127.13 1rpi s LEU 33 Ca -0.14 -0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 1rpi s LEU 33 Cb -0.15 -0.36 -0.13 0.00 0.03 0.00 0.00 46.19 45.58 1rpi s LEU 33 CO 0.04 -0.14 -0.12 -1.84 0.23 0.00 0.00 176.35 174.52 1rpi n GLU 34 N 1.30 0.08 -1.56 1.70 0.28 -1.25 -1.32 120.64 119.88 1rpi n GLU 34 Ca -0.21 0.04 -0.53 0.00 -0.16 0.00 0.00 57.16 56.30 1rpi n GLU 34 Cb 0.55 -1.18 -0.06 0.00 1.43 0.00 0.00 31.44 32.18 1rpi n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1rpi n GLU 35 N 1.25 0.85 -3.73 3.44 0.00 -1.26 -4.46 120.64 116.73 1rpi n GLU 35 Ca 0.06 0.30 -0.13 0.00 0.00 0.00 0.00 57.16 57.40 1rpi n GLU 35 Cb 0.49 -1.85 -0.10 0.00 0.00 0.00 0.00 31.44 29.98 1rpi n GLU 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1rpi s VAL 36 N 0.13 -0.01 -1.37 6.31 1.01 -1.26 -5.02 120.40 120.20 1rpi s VAL 36 Ca 0.82 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.75 1rpi s VAL 36 Cb -1.00 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1rpi s VAL 36 CO 0.51 0.01 2.65 -3.20 0.00 0.00 0.00 175.10 175.07 1rpi n ASN 37 N 3.15 8.19 -4.69 3.32 5.15 -1.26 -4.96 115.26 124.17 1rpi n ASN 37 Ca -0.15 -2.92 -0.43 0.00 -0.60 0.00 0.00 54.58 50.48 1rpi n ASN 37 Cb 0.57 -1.43 -0.01 0.00 -0.53 0.00 0.00 39.78 38.38 1rpi n ASN 37 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rpi n LEU 38 N 2.39 3.43 -4.85 1.20 4.77 -1.26 -4.94 117.00 117.74 1rpi n LEU 38 Ca 0.68 1.20 -0.32 0.00 -0.03 0.00 0.00 56.01 57.54 1rpi n LEU 38 Cb 0.27 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 39.87 1rpi n LEU 38 CO 0.72 -0.53 0.67 -2.16 -1.33 0.00 0.00 177.39 174.76 1rpi s PRO 39 N -1.73 3.83 0.63 3.23 0.04 -1.26 -4.98 135.00 134.76 1rpi s PRO 39 Ca 0.57 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1rpi s PRO 39 Cb -0.58 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1rpi s PRO 39 CO 0.61 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.73 1rpi n GLY 40 N -1.88 -1.81 3.80 0.56 0.00 -1.26 -4.96 105.19 99.65 1rpi n GLY 40 Ca 0.06 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1rpi n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rpi s ARG 41 N 0.00 3.10 0.20 1.61 1.70 -1.26 -5.06 118.95 119.23 1rpi s ARG 41 Ca 0.00 1.14 -0.12 0.00 -0.47 0.00 0.00 55.73 56.28 1rpi s ARG 41 Cb 0.00 -2.01 -0.00 0.00 -0.57 0.00 0.00 34.95 32.37 1rpi s ARG 41 CO 0.00 -0.98 0.39 1.67 -1.08 0.00 0.00 175.30 175.30 1rpi s TRP 42 N -2.65 0.31 -0.03 5.89 1.48 -1.26 -4.74 118.94 117.93 1rpi s TRP 42 Ca 0.62 -0.67 0.07 0.00 -1.06 0.00 0.00 56.10 55.06 1rpi s TRP 42 Cb -0.16 0.09 -0.01 0.00 -1.16 0.00 0.00 33.47 32.23 1rpi s TRP 42 CO 0.44 -0.84 -0.24 0.15 -4.06 0.00 0.00 176.95 172.40 1rpi s LYS 43 N -3.97 2.11 0.33 3.25 1.02 -0.90 -4.95 119.74 116.64 1rpi s LYS 43 Ca 0.18 -0.85 -0.28 0.00 0.02 0.00 0.00 55.97 55.04 1rpi s LYS 43 Cb 0.01 -1.94 -0.10 0.00 -0.52 0.00 0.00 37.83 35.29 1rpi s LYS 43 CO 0.03 0.45 1.18 -1.25 -0.92 0.00 0.00 175.35 174.85 1rpi s PRO 44 N -0.39 4.39 0.01 -1.68 0.04 -1.26 -0.15 135.00 135.95 1rpi s PRO 44 Ca 0.04 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.05 1rpi s PRO 44 Cb -0.11 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 1rpi s PRO 44 CO 0.01 -0.06 -0.08 0.21 0.04 0.00 0.00 177.00 177.12 1rpi s LYS 45 N -1.80 0.58 -0.15 4.56 2.20 -0.89 -4.81 119.74 119.42 1rpi s LYS 45 Ca 0.49 -0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.63 1rpi s LYS 45 Cb -0.34 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.42 1rpi s LYS 45 CO 0.44 0.13 0.14 -0.51 -0.36 0.00 0.00 175.35 175.19 1rpi s LEU 46 N -0.54 4.32 0.39 5.43 1.43 -1.26 -1.04 118.68 127.41 1rpi s LEU 46 Ca -0.00 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1rpi s LEU 46 Cb -0.05 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1rpi s LEU 46 CO 0.00 0.31 0.08 0.27 0.23 0.00 0.00 176.35 177.24 1rpi s ILE 47 N -0.45 1.00 0.00 -0.59 -4.36 0.12 -4.93 121.20 111.99 1rpi s ILE 47 Ca 0.12 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1rpi s ILE 47 Cb -0.12 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.05 1rpi s ILE 47 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1rpi n GLY 48 N -0.87 2.25 0.00 6.27 0.00 -1.26 -1.03 105.19 110.55 1rpi n GLY 48 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1rpi n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpi n GLY 49 N 0.00 2.18 3.61 -0.02 0.00 -0.72 -4.95 105.19 105.30 1rpi n GLY 49 Ca 0.00 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1rpi n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rpi s ILE 50 N -0.33 4.17 0.00 -0.61 1.01 -1.26 -0.89 121.20 123.28 1rpi s ILE 50 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1rpi s ILE 50 Cb 0.00 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1rpi s ILE 50 CO 0.00 -0.78 0.00 0.61 0.00 0.00 0.00 174.94 174.77 1rpi n GLY 51 N 4.67 0.84 0.00 6.18 0.00 -1.26 -4.90 105.19 110.72 1rpi n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1rpi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpi n GLY 52 N -2.00 3.48 3.89 -0.02 0.00 -0.07 -5.13 105.19 105.34 1rpi n GLY 52 Ca 0.00 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 1rpi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rpi s PHE 53 N -2.12 3.29 -0.06 1.61 0.08 -1.26 -1.75 117.98 117.77 1rpi s PHE 53 Ca 0.00 -0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.03 1rpi s PHE 53 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.92 1rpi s PHE 53 CO 0.00 0.49 -0.12 0.54 -0.10 0.00 0.00 175.22 176.03 1rpi s VAL 54 N -2.01 3.27 -0.20 -0.44 0.11 -0.19 -4.91 120.40 116.04 1rpi s VAL 54 Ca 0.33 -0.64 -0.19 0.00 -2.93 0.00 0.00 61.98 58.55 1rpi s VAL 54 Cb -0.09 -2.30 -0.03 0.00 -1.53 0.00 0.00 36.38 32.43 1rpi s VAL 54 CO 0.27 0.59 0.55 -0.75 -3.33 0.00 0.00 175.10 172.43 1rpi s LYS 55 N -0.74 4.20 0.49 1.54 2.20 -1.26 -0.70 119.74 125.47 1rpi s LYS 55 Ca 0.11 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.22 1rpi s LYS 55 Cb -0.11 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1rpi s LYS 55 CO 0.01 -0.16 0.06 0.14 -0.36 0.00 0.00 175.35 175.03 1rpi s VAL 56 N 1.67 0.81 -0.16 4.02 -7.23 -0.21 -4.83 120.40 114.47 1rpi s VAL 56 Ca 0.26 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1rpi s VAL 56 Cb -0.16 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1rpi s VAL 56 CO 0.10 0.00 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.73 1rpi s ARG 57 N -3.81 3.66 -0.37 4.82 0.52 -0.10 -2.09 118.95 121.57 1rpi s ARG 57 Ca 0.08 -0.52 -0.18 0.00 -0.52 0.00 0.00 55.73 54.58 1rpi s ARG 57 Cb 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1rpi s ARG 57 CO 0.06 0.20 0.52 -1.14 0.02 0.00 0.00 175.30 174.95 1rpi s GLN 58 N 0.47 3.49 -0.18 3.54 0.74 0.79 0.04 119.66 128.54 1rpi s GLN 58 Ca -0.03 -0.29 -0.05 0.00 0.05 0.00 0.00 55.36 55.04 1rpi s GLN 58 Cb -0.14 -3.85 -0.03 0.00 1.10 0.00 0.00 33.01 30.09 1rpi s GLN 58 CO 0.03 -0.72 -0.01 0.71 -0.55 0.00 0.00 175.29 174.75 1rpi s TYR 59 N 2.41 3.05 0.21 1.67 1.51 -0.54 -2.11 117.35 123.54 1rpi s TYR 59 Ca 0.18 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1rpi s TYR 59 Cb -0.15 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1rpi s TYR 59 CO 0.14 -0.14 0.45 -0.51 -1.11 0.00 0.00 175.55 174.38 1rpi s ASP 60 N 0.73 6.47 -1.42 2.29 1.01 -1.26 -0.74 116.67 123.75 1rpi s ASP 60 Ca -0.00 0.62 -0.03 0.00 0.71 0.00 0.00 52.55 53.84 1rpi s ASP 60 Cb -0.14 -2.10 0.03 0.00 1.01 0.00 0.00 42.92 41.71 1rpi s ASP 60 CO 0.02 -0.05 0.59 0.00 0.21 0.00 0.00 175.17 175.94 1rpi n GLN 61 N -0.38 -3.96 -2.90 8.23 6.02 -1.20 -4.89 117.38 118.29 1rpi n GLN 61 Ca -0.02 0.48 -0.40 0.00 -0.01 0.00 0.00 57.00 57.05 1rpi n GLN 61 Cb 0.53 -4.87 -0.05 0.00 1.02 0.00 0.00 30.24 26.87 1rpi n GLN 61 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1rpi s VAL 62 N -3.74 4.57 -0.02 5.09 1.01 -0.28 -4.64 120.40 122.39 1rpi s VAL 62 Ca 0.15 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1rpi s VAL 62 Cb -0.08 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1rpi s VAL 62 CO 0.87 0.39 1.13 -2.16 0.00 0.00 0.00 175.10 175.33 1rpi s PRO 63 N -0.31 4.43 -0.03 2.72 0.05 -1.26 -1.13 135.00 139.47 1rpi s PRO 63 Ca 0.40 1.62 -0.13 0.00 0.05 0.00 0.00 61.00 62.94 1rpi s PRO 63 Cb -0.22 -3.47 0.02 0.00 0.05 0.00 0.00 34.50 30.88 1rpi s PRO 63 CO 0.26 -0.29 0.28 -1.50 0.05 0.00 0.00 177.00 175.80 1rpi s ILE 64 N 1.59 0.05 -0.11 0.56 2.07 0.17 -4.63 121.20 120.91 1rpi s ILE 64 Ca 0.55 -0.41 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 1rpi s ILE 64 Cb -0.25 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.77 1rpi s ILE 64 CO 0.25 -0.23 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.27 1rpi s GLU 65 N -1.04 3.21 -0.21 3.50 2.12 -0.90 0.19 118.70 125.57 1rpi s GLU 65 Ca -0.11 -0.59 -0.01 0.00 0.36 0.00 0.00 54.97 54.62 1rpi s GLU 65 Cb -0.05 -2.69 0.06 0.00 0.26 0.00 0.00 34.13 31.71 1rpi s GLU 65 CO 0.03 0.40 -0.01 0.42 -0.54 0.00 0.00 175.26 175.56 1rpi s ILE 66 N -0.10 1.04 -1.44 -3.70 1.01 0.22 -1.33 121.20 116.89 1rpi s ILE 66 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1rpi s ILE 66 Cb -0.13 -1.40 0.04 0.00 0.01 0.00 0.00 42.46 40.98 1rpi s ILE 66 CO 0.03 -0.12 0.73 0.00 0.00 0.00 0.00 174.94 175.58 1rpi n GLY 68 N -1.69 0.57 3.08 0.00 0.00 -1.26 -4.96 105.19 100.92 1rpi n GLY 68 Ca -0.16 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 1rpi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rpi s HIS 69 N -2.08 3.25 -0.08 1.61 4.02 -0.63 -5.08 115.29 116.30 1rpi s HIS 69 Ca 0.00 -2.28 -0.30 0.00 1.02 0.00 0.00 55.06 53.51 1rpi s HIS 69 Cb 0.00 -1.94 -0.04 0.00 -1.02 0.00 0.00 32.58 29.58 1rpi s HIS 69 CO 0.00 -0.87 1.45 -1.59 1.02 0.00 0.00 174.74 174.75 1rpi s LYS 70 N 1.12 4.22 0.24 1.40 0.00 -1.26 -0.61 119.74 124.85 1rpi s LYS 70 Ca -0.08 1.94 0.01 0.00 0.00 0.00 0.00 55.97 57.84 1rpi s LYS 70 Cb -0.20 -3.81 -0.04 0.00 0.00 0.00 0.00 37.83 33.79 1rpi s LYS 70 CO -0.05 -0.73 0.16 0.54 0.00 0.00 0.00 175.35 175.27 1rpi s VAL 71 N 3.45 0.05 -0.05 1.79 0.11 0.50 -4.96 120.40 121.29 1rpi s VAL 71 Ca 0.64 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.73 1rpi s VAL 71 Cb -0.29 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1rpi s VAL 71 CO 0.23 0.00 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.22 1rpi s ILE 72 N -3.96 1.31 -0.07 7.04 -1.09 -1.26 0.46 121.20 123.63 1rpi s ILE 72 Ca 0.39 -0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 57.88 1rpi s ILE 72 Cb 0.06 -1.15 0.12 0.00 -1.58 0.00 0.00 42.46 39.91 1rpi s ILE 72 CO 0.16 0.39 1.37 -0.83 -1.23 0.00 0.00 174.94 174.80 1rpi s GLY 73 N 0.30 -0.33 0.12 6.18 0.00 -0.28 -4.85 107.32 108.45 1rpi s GLY 73 Ca -0.09 0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.82 1rpi s GLY 73 CO 0.03 3.51 1.17 -1.59 0.00 0.00 0.00 173.10 176.22 1rpi s THR 74 N -2.06 3.91 -0.08 0.90 2.01 -1.26 -1.12 115.64 117.93 1rpi s THR 74 Ca 0.24 1.48 0.03 0.00 0.31 0.00 0.00 61.69 63.75 1rpi s THR 74 Cb 0.03 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1rpi s THR 74 CO -0.04 0.18 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.22 1rpi s VAL 75 N 0.49 1.45 -0.07 3.82 1.01 0.08 -4.53 120.40 122.66 1rpi s VAL 75 Ca 0.55 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1rpi s VAL 75 Cb -0.30 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1rpi s VAL 75 CO 0.32 0.43 0.30 -0.76 0.00 0.00 0.00 175.10 175.39 1rpi s LEU 76 N 0.64 4.40 -0.13 3.92 1.43 0.53 -1.47 118.68 128.00 1rpi s LEU 76 Ca -0.14 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1rpi s LEU 76 Cb -0.16 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.70 1rpi s LEU 76 CO 0.04 0.30 -0.13 -0.69 0.23 0.00 0.00 176.35 176.10 1rpi s VAL 77 N -0.71 1.43 -2.91 -1.59 1.01 0.11 -0.70 120.40 117.04 1rpi s VAL 77 Ca 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1rpi s VAL 77 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1rpi s VAL 77 CO 0.08 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1rpi n GLY 78 N 4.69 -1.81 3.72 4.51 0.00 -0.43 -0.93 105.19 114.94 1rpi n GLY 78 Ca -0.16 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 1rpi n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rpi n PRO 79 N -0.33 1.52 -3.60 1.61 -0.04 -1.26 -3.80 135.00 129.10 1rpi n PRO 79 Ca 0.00 0.56 0.01 0.00 -0.04 0.00 0.00 63.50 64.03 1rpi n PRO 79 Cb 0.00 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 1rpi n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1rpi s THR 80 N -1.32 -0.03 0.35 0.52 -1.32 -1.26 -4.95 115.64 107.63 1rpi s THR 80 Ca 0.73 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.42 1rpi s THR 80 Cb -0.42 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 69.92 1rpi s THR 80 CO 0.48 0.00 1.40 -2.65 -2.21 0.00 0.00 174.62 171.65 1rpi n PRO 81 N 3.47 -0.05 -3.68 7.08 -0.02 -1.26 -4.51 135.00 136.03 1rpi n PRO 81 Ca -0.16 1.20 -0.09 0.00 -2.02 0.00 0.00 63.50 62.43 1rpi n PRO 81 Cb 0.56 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1rpi n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rpi s ALA 82 N -5.28 -1.39 0.24 3.55 0.00 -1.26 -5.14 121.76 112.47 1rpi s ALA 82 Ca -0.08 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 1rpi s ALA 82 Cb 0.30 0.85 -0.12 0.00 0.00 0.00 0.00 23.12 24.14 1rpi s ALA 82 CO 0.70 -0.93 1.64 0.09 0.00 0.00 0.00 175.76 177.26 1rpi n ASN 83 N -0.43 3.74 -4.01 0.00 3.02 -1.26 -4.88 115.26 111.44 1rpi n ASN 83 Ca -0.09 1.10 -0.26 0.00 -0.03 0.00 0.00 54.58 55.30 1rpi n ASN 83 Cb 0.61 -1.55 -0.17 0.00 -0.61 0.00 0.00 39.78 38.07 1rpi n ASN 83 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1rpi s VAL 84 N 0.63 1.23 -0.34 2.41 1.01 0.31 -1.97 120.40 123.69 1rpi s VAL 84 Ca 0.71 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 1rpi s VAL 84 Cb -0.53 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1rpi s VAL 84 CO 0.40 0.39 0.74 -0.63 0.00 0.00 0.00 175.10 176.00 1rpi s ILE 85 N 0.96 4.80 0.50 2.22 -1.09 -0.35 -1.49 121.20 126.75 1rpi s ILE 85 Ca -0.08 0.93 -0.03 0.00 -2.23 0.00 0.00 60.65 59.24 1rpi s ILE 85 Cb -0.15 -4.14 0.10 0.00 -1.58 0.00 0.00 42.46 36.69 1rpi s ILE 85 CO -0.00 -0.32 0.68 0.61 -1.23 0.00 0.00 174.94 174.68 1rpi n GLY 86 N 4.44 0.21 0.24 6.18 0.00 -1.21 -1.44 105.19 113.60 1rpi n GLY 86 Ca 0.02 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.20 1rpi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rpi h ARG 87 N 0.00 0.00 -0.94 1.61 3.08 -0.62 -2.51 114.38 114.99 1rpi h ARG 87 Ca -0.22 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.85 1rpi h ARG 87 Cb 0.77 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1rpi h ARG 87 CO 0.22 0.19 0.62 -2.95 -1.07 0.00 0.00 179.97 176.98 1rpi h ASN 88 N 0.00 1.04 0.72 7.04 -1.07 -1.69 0.14 115.58 121.77 1rpi h ASN 88 Ca -0.00 -0.02 -0.26 0.00 0.07 0.00 0.00 56.30 56.10 1rpi h ASN 88 Cb 0.42 -0.25 -0.03 0.00 -2.07 0.00 0.00 38.32 36.40 1rpi h ASN 88 CO 0.03 0.72 -1.34 -0.07 0.07 0.00 0.00 177.43 176.84 1rpi h LEU 89 N 1.21 0.07 -1.50 6.14 4.07 -1.81 -3.25 115.31 120.24 1rpi h LEU 89 Ca 0.37 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.18 1rpi h LEU 89 Cb -0.03 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1rpi h LEU 89 CO -0.10 1.08 -0.17 0.24 -1.08 0.00 0.00 178.44 178.40 1rpi h MET 90 N 0.01 0.10 0.00 1.13 2.86 -0.98 -0.12 114.93 117.94 1rpi h MET 90 Ca -0.15 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1rpi h MET 90 Cb 1.90 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.53 1rpi h MET 90 CO 0.12 0.28 -0.40 1.79 1.06 0.00 0.00 176.91 179.76 1rpi h THR 91 N 0.10 1.13 -0.02 2.22 1.35 -1.04 0.64 112.91 117.30 1rpi h THR 91 Ca 0.02 -1.43 -0.16 0.00 -0.55 0.00 0.00 66.41 64.29 1rpi h THR 91 Cb 0.37 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 1rpi h THR 91 CO 0.02 0.39 -0.72 1.56 -0.25 0.00 0.00 175.52 176.53 1rpi h GLN 92 N 0.00 0.10 -0.01 4.72 1.08 -1.08 -2.24 115.11 117.68 1rpi h GLN 92 Ca -0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1rpi h GLN 92 Cb 0.78 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1rpi h GLN 92 CO 0.05 0.77 -0.09 0.44 -0.95 0.00 0.00 178.83 179.05 1rpi n ILE 93 N -3.74 0.00 -2.91 2.54 -5.35 -0.75 -4.94 119.36 104.22 1rpi n ILE 93 Ca -0.02 -0.17 -0.09 0.00 -0.27 0.00 0.00 62.75 62.20 1rpi n ILE 93 Cb 0.70 0.32 0.03 0.00 -1.74 0.00 0.00 39.64 38.95 1rpi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rpi n GLY 94 N 1.23 0.36 3.71 3.28 0.00 -0.81 -5.00 105.19 107.95 1rpi n GLY 94 Ca 0.17 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1rpi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpi s THR 96 N 1.06 1.36 -0.06 0.00 -4.23 -1.26 -4.66 115.64 107.85 1rpi s THR 96 Ca 0.37 -1.96 -0.24 0.00 -1.18 0.00 0.00 61.69 58.68 1rpi s THR 96 Cb -0.17 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1rpi s THR 96 CO 0.17 -0.58 0.71 -0.76 -0.54 0.00 0.00 174.62 173.61 1rpi s LEU 97 N -2.92 4.32 -0.04 4.79 1.02 -1.26 -5.08 118.68 119.51 1rpi s LEU 97 Ca 0.15 1.20 0.03 0.00 0.02 0.00 0.00 54.13 55.53 1rpi s LEU 97 Cb -0.01 -3.09 0.00 0.00 0.02 0.00 0.00 46.19 43.11 1rpi s LEU 97 CO 0.03 -0.11 -0.11 0.20 0.02 0.00 0.00 176.35 176.37 1rpi s ASN 98 N 0.77 1.54 0.00 2.29 0.01 -1.26 -5.30 114.94 113.00 1rpi s ASN 98 Ca 0.38 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1rpi s ASN 98 Cb -0.18 -0.49 0.00 0.00 0.41 0.00 0.00 41.25 40.99 1rpi s ASN 98 CO 0.18 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 178.07