#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rv1 s THR 26 N 0.00 4.37 0.32 6.31 2.01 -1.26 -5.09 115.64 122.31 1rv1 s THR 26 Ca 0.00 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1rv1 s THR 26 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1rv1 s THR 26 CO 0.00 -0.18 0.54 -0.76 -0.69 0.00 0.00 174.62 173.52 1rv1 s LEU 27 N 1.52 4.04 0.06 4.42 1.43 -1.26 -3.95 118.68 124.93 1rv1 s LEU 27 Ca 0.01 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1rv1 s LEU 27 Cb -0.19 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1rv1 s LEU 27 CO 0.06 -0.25 -0.04 -0.69 0.23 0.00 0.00 176.35 175.65 1rv1 s VAL 28 N -2.23 0.34 -0.29 -1.59 1.01 0.20 -4.90 120.40 112.94 1rv1 s VAL 28 Ca 0.41 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 60.71 1rv1 s VAL 28 Cb -0.10 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 34.99 1rv1 s VAL 28 CO 0.34 -0.87 -0.03 -0.60 0.00 0.00 0.00 175.10 173.94 1rv1 s ARG 29 N -3.45 2.23 0.51 2.72 3.52 -1.26 -0.26 118.95 122.95 1rv1 s ARG 29 Ca 0.04 -1.39 -0.21 0.00 -0.13 0.00 0.00 55.73 54.04 1rv1 s ARG 29 Cb 0.04 -3.08 -0.06 0.00 -1.56 0.00 0.00 34.95 30.28 1rv1 s ARG 29 CO -0.07 -0.66 1.17 -2.14 -0.81 0.00 0.00 175.30 172.80 1rv1 s PRO 30 N 1.15 3.51 0.95 5.12 0.02 -1.25 0.49 135.00 144.99 1rv1 s PRO 30 Ca -0.04 1.76 -0.12 0.00 0.02 0.00 0.00 61.00 62.61 1rv1 s PRO 30 Cb -0.20 -2.22 0.16 0.00 0.02 0.00 0.00 34.50 32.26 1rv1 s PRO 30 CO -0.04 -0.75 1.09 0.15 -0.33 0.00 0.00 177.00 177.12 1rv1 s LYS 31 N -2.96 0.82 0.24 5.54 1.02 -0.16 -4.62 119.74 119.62 1rv1 s LYS 31 Ca 0.68 0.67 -0.12 0.00 0.02 0.00 0.00 55.97 57.22 1rv1 s LYS 31 Cb -0.28 -1.77 0.33 0.00 -0.52 0.00 0.00 37.83 35.59 1rv1 s LYS 31 CO 0.33 -2.50 1.58 -1.35 -0.92 0.00 0.00 175.35 172.49 1rv1 h PRO 32 N -1.73 -0.02 -0.15 -1.68 0.11 -1.95 -0.47 132.00 126.10 1rv1 h PRO 32 Ca -0.52 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1rv1 h PRO 32 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1rv1 h PRO 32 CO 0.56 -0.01 -0.02 0.93 -0.21 0.00 0.00 178.00 179.25 1rv1 h GLU 33 N -0.02 0.28 -0.62 1.05 4.39 -1.95 -2.11 114.58 115.60 1rv1 h GLU 33 Ca 0.39 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1rv1 h GLU 33 Cb 0.62 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1rv1 h GLU 33 CO -0.88 0.54 0.35 1.25 -1.16 0.00 0.00 179.01 179.11 1rv1 h LEU 34 N -0.01 0.77 -1.94 1.33 5.85 -1.78 -1.80 115.31 117.73 1rv1 h LEU 34 Ca 0.04 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1rv1 h LEU 34 Cb 0.43 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1rv1 h LEU 34 CO 0.01 0.64 -0.08 0.25 -0.34 0.00 0.00 178.44 178.92 1rv1 h LEU 35 N 0.85 0.00 -0.45 2.25 5.85 -1.04 0.18 115.31 122.95 1rv1 h LEU 35 Ca 0.22 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 1rv1 h LEU 35 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1rv1 h LEU 35 CO -0.04 0.08 -0.15 0.50 -0.34 0.00 0.00 178.44 178.50 1rv1 h LYS 36 N 0.00 0.89 0.91 1.25 3.64 -0.64 -1.69 116.57 120.93 1rv1 h LYS 36 Ca -0.00 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1rv1 h LYS 36 Cb 0.15 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1rv1 h LYS 36 CO 0.01 1.01 -0.44 1.25 -2.27 0.00 0.00 179.45 179.01 1rv1 h LEU 37 N 0.73 -1.03 -0.96 5.20 7.12 -0.36 -1.40 115.31 124.61 1rv1 h LEU 37 Ca 0.11 0.04 0.13 0.00 0.13 0.00 0.00 57.88 58.28 1rv1 h LEU 37 Cb 0.70 0.27 -0.09 0.00 -0.53 0.00 0.00 40.66 41.01 1rv1 h LEU 37 CO 0.05 -0.68 0.58 -0.07 -0.13 0.00 0.00 178.44 178.19 1rv1 h LEU 38 N -1.33 0.83 -1.44 2.25 3.38 -1.22 0.34 115.31 118.12 1rv1 h LEU 38 Ca -0.12 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1rv1 h LEU 38 Cb 0.93 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1rv1 h LEU 38 CO 0.20 0.41 -0.23 0.11 0.09 0.00 0.00 178.44 179.03 1rv1 h LYS 39 N 0.89 0.00 0.00 1.13 1.57 -1.18 -1.81 116.57 117.18 1rv1 h LYS 39 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1rv1 h LYS 39 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1rv1 h LYS 39 CO -0.29 0.23 0.00 0.66 -0.57 0.00 0.00 179.45 179.47 1rv1 h SER 40 N 0.00 0.00 -0.37 0.86 4.64 0.23 -2.85 113.55 116.05 1rv1 h SER 40 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1rv1 h SER 40 Cb 0.59 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1rv1 h SER 40 CO 0.03 0.00 0.03 1.33 -0.87 0.00 0.00 176.83 177.35 1rv1 n VAL 41 N -2.83 2.47 0.00 0.95 0.24 -0.83 -4.94 118.33 113.38 1rv1 n VAL 41 Ca 0.01 -1.95 0.00 0.00 -2.04 0.00 0.00 64.34 60.36 1rv1 n VAL 41 Cb 0.29 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1rv1 n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rv1 n GLY 42 N -0.48 1.24 3.71 7.63 0.00 -1.08 -5.01 105.19 111.20 1rv1 n GLY 42 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 1rv1 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rv1 n ALA 43 N -1.04 1.19 -0.83 4.61 0.00 -0.74 -4.94 120.51 118.76 1rv1 n ALA 43 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1rv1 n ALA 43 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1rv1 n ALA 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rv1 n GLN 44 N -0.88 0.41 -1.21 0.00 6.02 -1.26 -4.42 117.38 116.04 1rv1 n GLN 44 Ca 0.11 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 1rv1 n GLN 44 Cb 0.44 -0.59 0.00 0.00 1.02 0.00 0.00 30.24 31.12 1rv1 n GLN 44 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1rv1 n LYS 45 N -0.07 1.94 -0.00 -1.09 5.02 -1.26 -5.07 118.16 117.62 1rv1 n LYS 45 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1rv1 n LYS 45 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1rv1 n LYS 45 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1rv1 n ASP 46 N -1.55 4.72 -4.39 4.39 8.00 -1.26 -5.02 116.55 121.44 1rv1 n ASP 46 Ca 0.00 -0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1rv1 n ASP 46 Cb 0.00 0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 41.40 1rv1 n ASP 46 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rv1 s THR 47 N -2.01 2.25 0.13 -3.53 -4.23 -1.26 -3.84 115.64 103.14 1rv1 s THR 47 Ca -0.00 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 58.67 1rv1 s THR 47 Cb 0.00 -1.99 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 1rv1 s THR 47 CO 0.02 0.08 0.22 -0.31 -0.54 0.00 0.00 174.62 174.09 1rv1 s TYR 48 N -1.08 0.34 0.49 3.99 1.51 0.65 -4.87 117.35 118.37 1rv1 s TYR 48 Ca 0.14 -0.74 -0.12 0.00 -1.01 0.00 0.00 57.07 55.34 1rv1 s TYR 48 Cb -0.10 -0.10 -0.06 0.00 -0.11 0.00 0.00 41.96 41.59 1rv1 s TYR 48 CO 0.06 -0.63 0.89 0.95 -1.11 0.00 0.00 175.55 175.72 1rv1 s THR 49 N -3.93 4.69 0.32 -0.71 -4.23 -1.26 0.59 115.64 111.11 1rv1 s THR 49 Ca 0.13 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1rv1 s THR 49 Cb 0.04 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.38 1rv1 s THR 49 CO -0.04 -0.72 1.98 0.24 -0.54 0.00 0.00 174.62 175.54 1rv1 h MET 50 N 0.77 0.96 -0.53 3.99 2.86 -1.95 -1.51 114.93 119.52 1rv1 h MET 50 Ca -0.46 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.20 1rv1 h MET 50 Cb 1.19 -0.22 -0.07 0.00 0.06 0.00 0.00 31.60 32.56 1rv1 h MET 50 CO 0.62 0.64 0.17 -0.22 1.06 0.00 0.00 176.91 179.18 1rv1 h LYS 51 N 0.99 0.32 -0.68 1.72 3.64 -1.92 0.01 116.57 120.65 1rv1 h LYS 51 Ca 0.28 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1rv1 h LYS 51 Cb -0.09 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1rv1 h LYS 51 CO -0.06 0.21 0.12 0.93 -2.27 0.00 0.00 179.45 178.38 1rv1 h GLU 52 N 0.33 1.11 0.08 1.90 5.08 -1.76 -1.22 114.58 120.10 1rv1 h GLU 52 Ca 0.26 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rv1 h GLU 52 Cb 0.32 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1rv1 h GLU 52 CO -0.29 1.01 -0.07 0.28 -1.00 0.00 0.00 179.01 178.94 1rv1 h VAL 53 N 1.04 0.85 -0.66 3.13 2.07 -0.13 -0.71 116.25 121.83 1rv1 h VAL 53 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1rv1 h VAL 53 Cb 0.43 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1rv1 h VAL 53 CO 0.01 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.90 1rv1 h LEU 54 N -0.16 0.82 -0.02 2.57 3.38 -1.02 -1.25 115.31 119.65 1rv1 h LEU 54 Ca 0.00 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1rv1 h LEU 54 Cb 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1rv1 h LEU 54 CO -0.01 0.67 -0.14 0.15 0.09 0.00 0.00 178.44 179.20 1rv1 h PHE 55 N 0.90 -0.35 -0.67 1.13 3.57 -0.92 0.24 116.94 120.84 1rv1 h PHE 55 Ca 0.23 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1rv1 h PHE 55 Cb 0.03 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1rv1 h PHE 55 CO -0.01 -0.20 0.29 1.88 -2.23 0.00 0.00 178.31 178.04 1rv1 h TYR 56 N -0.22 0.96 -0.43 0.41 0.05 -0.93 -0.97 116.97 115.84 1rv1 h TYR 56 Ca 0.05 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1rv1 h TYR 56 Cb 0.29 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1rv1 h TYR 56 CO -0.20 0.72 0.07 -0.07 -1.05 0.00 0.00 178.16 177.64 1rv1 h LEU 57 N 0.95 0.68 0.28 3.88 3.38 -0.79 -0.97 115.31 122.72 1rv1 h LEU 57 Ca 0.23 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1rv1 h LEU 57 Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1rv1 h LEU 57 CO -0.02 0.77 -0.24 1.23 0.09 0.00 0.00 178.44 180.26 1rv1 h GLY 58 N 0.57 -0.55 0.35 0.83 0.00 -0.04 -1.33 103.07 102.90 1rv1 h GLY 58 Ca 0.13 0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.84 1rv1 h GLY 58 CO 0.01 -0.23 0.27 1.46 0.00 0.00 0.00 176.54 178.05 1rv1 h GLN 59 N -0.53 0.45 -0.54 4.80 1.08 -1.04 -1.20 115.11 118.12 1rv1 h GLN 59 Ca -0.01 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1rv1 h GLN 59 Cb 0.48 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 1rv1 h GLN 59 CO -0.03 0.29 0.34 -0.92 -0.95 0.00 0.00 178.83 177.57 1rv1 h TYR 60 N 0.46 0.65 -0.12 2.96 3.20 -0.86 0.40 116.97 123.65 1rv1 h TYR 60 Ca 0.34 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 1rv1 h TYR 60 Cb 0.43 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1rv1 h TYR 60 CO -0.16 0.40 0.06 0.82 -1.64 0.00 0.00 178.16 177.64 1rv1 h ILE 61 N 0.70 1.12 -0.34 1.81 2.04 -0.49 -1.77 117.51 120.58 1rv1 h ILE 61 Ca 0.20 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1rv1 h ILE 61 Cb -0.04 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1rv1 h ILE 61 CO -0.06 0.11 0.16 0.24 0.00 0.00 0.00 178.15 178.59 1rv1 h MET 62 N 0.08 0.49 0.10 2.37 2.86 -0.95 0.13 114.93 120.01 1rv1 h MET 62 Ca 0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1rv1 h MET 62 Cb 0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1rv1 h MET 62 CO -0.01 0.45 -0.10 1.15 1.06 0.00 0.00 176.91 179.46 1rv1 h THR 63 N 0.41 0.78 -0.05 2.22 2.02 -0.12 -2.18 112.91 115.99 1rv1 h THR 63 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1rv1 h THR 63 Cb 0.12 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1rv1 h THR 63 CO -0.01 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.17 1rv1 n LYS 64 N -5.21 1.29 -3.68 6.66 5.02 -0.67 -4.94 118.16 116.63 1rv1 n LYS 64 Ca -0.07 -0.43 -0.28 0.00 -2.02 0.00 0.00 58.31 55.51 1rv1 n LYS 64 Cb 0.14 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1rv1 n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rv1 n ARG 65 N -0.38 -2.15 0.01 1.97 1.74 0.31 -4.88 116.66 113.28 1rv1 n ARG 65 Ca 0.16 0.51 0.13 0.00 -0.77 0.00 0.00 57.85 57.88 1rv1 n ARG 65 Cb 0.18 -4.50 0.39 0.00 -1.02 0.00 0.00 32.46 27.51 1rv1 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rv1 n LEU 66 N -4.14 0.34 -4.84 0.55 4.77 -0.35 -4.87 117.00 108.46 1rv1 n LEU 66 Ca -0.15 0.23 -0.32 0.00 -0.03 0.00 0.00 56.01 55.74 1rv1 n LEU 66 Cb 0.62 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1rv1 n LEU 66 CO 0.68 0.05 0.68 -0.72 -1.33 0.00 0.00 177.39 176.75 1rv1 s TYR 67 N -3.02 3.41 -0.30 -1.77 -0.85 -1.26 -0.83 117.35 112.74 1rv1 s TYR 67 Ca 0.12 1.47 -0.29 0.00 -0.52 0.00 0.00 57.07 57.85 1rv1 s TYR 67 Cb 0.18 -2.81 -0.01 0.00 0.38 0.00 0.00 41.96 39.69 1rv1 s TYR 67 CO 0.63 -0.42 1.50 0.34 -1.52 0.00 0.00 175.55 176.08 1rv1 s ASP 68 N -3.02 6.40 0.39 -0.18 2.15 -0.70 -4.88 116.67 116.83 1rv1 s ASP 68 Ca 0.59 1.28 0.25 0.00 0.43 0.00 0.00 52.55 55.10 1rv1 s ASP 68 Cb -0.10 -2.54 1.39 0.00 -0.30 0.00 0.00 42.92 41.37 1rv1 s ASP 68 CO 0.31 -1.30 1.58 1.05 -0.17 0.00 0.00 175.17 176.65 1rv1 h GLU 69 N 10.56 0.01 0.05 4.34 4.11 -1.93 -2.11 114.58 129.61 1rv1 h GLU 69 Ca -0.30 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.13 1rv1 h GLU 69 Cb 1.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1rv1 h GLU 69 CO 1.03 0.01 -0.03 -0.22 0.07 0.00 0.00 179.01 179.88 1rv1 h LYS 70 N 0.01 -0.07 -4.31 1.06 3.64 -2.00 -3.42 116.57 111.48 1rv1 h LYS 70 Ca 0.86 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 59.52 1rv1 h LYS 70 Cb 2.43 0.02 -0.29 0.00 -0.41 0.00 0.00 32.23 33.98 1rv1 h LYS 70 CO -0.66 -0.05 -0.40 -0.65 -2.27 0.00 0.00 179.45 175.42 1rv1 s GLN 71 N -1.63 2.50 0.26 1.90 -0.21 -0.81 -4.97 119.66 116.69 1rv1 s GLN 71 Ca -0.01 -1.72 0.18 0.00 0.02 0.00 0.00 55.36 53.82 1rv1 s GLN 71 Cb 0.00 -3.91 0.94 0.00 1.00 0.00 0.00 33.01 31.04 1rv1 s GLN 71 CO 0.03 -1.17 1.54 1.04 -2.12 0.00 0.00 175.29 174.62 1rv1 n GLN 72 N 4.91 0.12 0.00 2.91 6.02 -1.10 -2.41 117.38 127.83 1rv1 n GLN 72 Ca -0.08 0.60 0.14 0.00 -0.01 0.00 0.00 57.00 57.64 1rv1 n GLN 72 Cb 0.41 -1.87 0.57 0.00 1.02 0.00 0.00 30.24 30.38 1rv1 n GLN 72 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1rv1 n HIS 73 N -2.11 0.00 -3.48 1.08 1.44 -1.26 -4.61 115.22 106.28 1rv1 n HIS 73 Ca -0.01 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.33 1rv1 n HIS 73 Cb 0.04 -0.45 -0.07 0.00 0.12 0.00 0.00 29.99 29.63 1rv1 n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rv1 s ILE 74 N -2.98 5.28 -0.21 0.61 1.01 -1.01 -1.01 121.20 122.88 1rv1 s ILE 74 Ca 0.14 0.65 -0.03 0.00 0.00 0.00 0.00 60.65 61.41 1rv1 s ILE 74 Cb 0.19 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 1rv1 s ILE 74 CO 0.55 0.37 -0.07 -0.69 0.00 0.00 0.00 174.94 175.10 1rv1 s VAL 75 N 0.52 3.17 -0.47 2.92 1.01 0.13 -1.72 120.40 125.96 1rv1 s VAL 75 Ca 0.19 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1rv1 s VAL 75 Cb -0.13 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 33.91 1rv1 s VAL 75 CO 0.05 0.44 0.37 -0.31 0.00 0.00 0.00 175.10 175.66 1rv1 s TYR 76 N 1.41 3.29 -1.50 5.22 2.02 -0.01 -0.80 117.35 126.98 1rv1 s TYR 76 Ca 0.05 -1.22 0.16 0.00 -0.37 0.00 0.00 57.07 55.69 1rv1 s TYR 76 Cb -0.14 -3.22 0.01 0.00 -0.40 0.00 0.00 41.96 38.20 1rv1 s TYR 76 CO -0.04 -0.86 0.86 0.00 -1.57 0.00 0.00 175.55 173.93 1rv1 n SER 78 N -0.02 2.65 -0.10 0.00 3.41 -0.01 -2.06 113.62 117.49 1rv1 n SER 78 Ca 0.07 1.02 -0.01 0.00 -0.26 0.00 0.00 58.87 59.68 1rv1 n SER 78 Cb 0.34 -1.55 -0.01 0.00 -0.26 0.00 0.00 64.21 62.73 1rv1 n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rv1 n ASN 79 N -0.61 -3.27 -4.09 4.04 3.02 -1.26 -4.94 115.26 108.16 1rv1 n ASN 79 Ca 0.09 0.03 -0.13 0.00 -0.03 0.00 0.00 54.58 54.55 1rv1 n ASN 79 Cb 0.43 -0.87 -0.11 0.00 -0.61 0.00 0.00 39.78 38.62 1rv1 n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rv1 s ASP 80 N -2.59 0.95 0.39 6.41 2.15 -0.88 -5.02 116.67 118.09 1rv1 s ASP 80 Ca 0.00 -0.67 0.20 0.00 0.43 0.00 0.00 52.55 52.51 1rv1 s ASP 80 Cb 0.00 0.05 1.14 0.00 -0.30 0.00 0.00 42.92 43.81 1rv1 s ASP 80 CO 0.00 -0.27 1.73 0.25 -0.17 0.00 0.00 175.17 176.71 1rv1 h LEU 81 N 4.10 0.43 -0.83 -1.34 5.85 -1.96 0.46 115.31 122.02 1rv1 h LEU 81 Ca -0.36 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1rv1 h LEU 81 Cb 1.19 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 1rv1 h LEU 81 CO 0.47 0.02 0.55 0.25 -0.34 0.00 0.00 178.44 179.38 1rv1 h LEU 82 N 0.35 0.94 -0.68 2.25 5.85 -1.95 -2.13 115.31 119.93 1rv1 h LEU 82 Ca 0.65 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.36 1rv1 h LEU 82 Cb 1.69 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1rv1 h LEU 82 CO -0.36 0.67 0.44 1.23 -0.34 0.00 0.00 178.44 180.09 1rv1 h GLY 83 N 1.11 0.96 0.62 3.75 0.00 0.14 -0.90 103.07 108.74 1rv1 h GLY 83 Ca 0.31 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.33 1rv1 h GLY 83 CO -0.07 0.32 -0.01 -0.55 0.00 0.00 0.00 176.54 176.22 1rv1 h ASP 84 N 0.89 -0.12 -0.43 0.19 3.45 -1.14 0.66 116.42 119.93 1rv1 h ASP 84 Ca 0.26 0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.67 1rv1 h ASP 84 Cb -0.07 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1rv1 h ASP 84 CO -0.07 -0.03 -0.12 -0.07 -1.57 0.00 0.00 179.24 177.38 1rv1 h LEU 85 N 0.05 0.89 0.00 1.55 3.38 -1.03 -3.02 115.31 117.14 1rv1 h LEU 85 Ca 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1rv1 h LEU 85 Cb 0.15 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1rv1 h LEU 85 CO -0.20 1.02 -0.71 -0.26 0.09 0.00 0.00 178.44 178.38 1rv1 h PHE 86 N 0.80 0.00 -5.85 1.13 -1.00 -1.00 -3.46 116.94 107.56 1rv1 h PHE 86 Ca 0.13 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.53 1rv1 h PHE 86 Cb 0.64 0.00 0.12 0.00 3.61 0.00 0.00 35.95 40.32 1rv1 h PHE 86 CO 0.04 0.00 -0.75 0.41 -1.61 0.00 0.00 178.31 176.40 1rv1 n GLY 87 N 1.23 -0.42 3.33 -1.45 0.00 0.23 -4.95 105.19 103.16 1rv1 n GLY 87 Ca 0.02 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1rv1 n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rv1 s VAL 88 N -3.40 0.03 0.16 1.61 -7.23 -1.20 -5.06 120.40 105.32 1rv1 s VAL 88 Ca 0.25 -0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.06 1rv1 s VAL 88 Cb -0.11 -0.71 -0.08 0.00 0.56 0.00 0.00 36.38 36.03 1rv1 s VAL 88 CO 0.75 -0.15 1.44 1.55 -0.31 0.00 0.00 175.10 178.38 1rv1 h PRO 89 N 3.89 0.69 -3.37 4.82 0.13 -1.93 -3.38 132.00 132.85 1rv1 h PRO 89 Ca -0.29 -0.46 -0.06 0.00 -0.87 0.00 0.00 66.00 64.32 1rv1 h PRO 89 Cb 1.17 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1rv1 h PRO 89 CO 0.37 1.08 0.09 -1.54 -0.23 0.00 0.00 178.00 177.77 1rv1 s SER 90 N -6.96 0.13 -0.11 1.44 1.04 -1.26 -0.83 113.70 107.15 1rv1 s SER 90 Ca -0.09 -1.07 -0.32 0.00 0.48 0.00 0.00 55.95 54.96 1rv1 s SER 90 Cb 0.10 0.73 0.12 0.00 0.10 0.00 0.00 66.02 67.08 1rv1 s SER 90 CO 0.87 -1.43 1.06 0.72 0.98 0.00 0.00 173.24 175.43 1rv1 s PHE 91 N -3.14 -0.24 -0.11 5.02 -0.12 0.02 -4.94 117.98 114.48 1rv1 s PHE 91 Ca 0.19 0.16 -0.09 0.00 -0.05 0.00 0.00 56.93 57.14 1rv1 s PHE 91 Cb -0.03 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1rv1 s PHE 91 CO 0.12 -0.36 0.20 0.45 -0.05 0.00 0.00 175.22 175.57 1rv1 s SER 92 N -2.25 6.45 0.00 1.98 0.15 -1.26 0.19 113.70 118.96 1rv1 s SER 92 Ca 0.07 0.54 0.08 0.00 0.70 0.00 0.00 55.95 57.34 1rv1 s SER 92 Cb -0.01 -2.11 0.41 0.00 -1.71 0.00 0.00 66.02 62.60 1rv1 s SER 92 CO -0.06 0.36 1.10 1.33 1.20 0.00 0.00 173.24 177.17 1rv1 n VAL 93 N 2.16 0.73 0.07 4.45 0.24 -0.18 -1.74 118.33 124.06 1rv1 n VAL 93 Ca -0.18 0.18 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1rv1 n VAL 93 Cb 0.54 -1.05 -0.13 0.00 -1.47 0.00 0.00 33.84 31.73 1rv1 n VAL 93 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1rv1 h LYS 94 N 0.00 0.14 -4.46 7.34 1.57 -1.93 -3.40 116.57 115.83 1rv1 h LYS 94 Ca 0.00 -0.24 -0.65 0.00 -1.87 0.00 0.00 60.65 57.89 1rv1 h LYS 94 Cb 0.07 0.09 0.05 0.00 0.08 0.00 0.00 32.23 32.51 1rv1 h LYS 94 CO 0.00 1.06 2.32 0.39 -0.57 0.00 0.00 179.45 182.65 1rv1 n GLU 95 N -3.41 1.53 0.01 3.15 1.02 -0.71 -4.76 120.64 117.47 1rv1 n GLU 95 Ca -0.07 -1.86 -0.10 0.00 -0.02 0.00 0.00 57.16 55.12 1rv1 n GLU 95 Cb 1.00 -2.92 -0.03 0.00 -0.02 0.00 0.00 31.44 29.46 1rv1 n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rv1 h HIS 96 N 7.85 -0.39 -0.25 -0.32 3.86 -1.84 -0.95 115.15 123.11 1rv1 h HIS 96 Ca 0.43 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.67 1rv1 h HIS 96 Cb 0.67 0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 1rv1 h HIS 96 CO 1.25 -0.22 0.12 -0.09 0.86 0.00 0.00 177.93 179.85 1rv1 h ARG 97 N -0.20 0.26 -0.83 2.45 2.43 -1.98 0.98 114.38 117.48 1rv1 h ARG 97 Ca 0.08 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.35 1rv1 h ARG 97 Cb 0.32 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 1rv1 h ARG 97 CO -0.22 0.17 0.46 -0.22 -1.51 0.00 0.00 179.97 178.66 1rv1 h LYS 98 N 0.26 0.73 -0.43 0.20 3.64 -1.90 0.12 116.57 119.20 1rv1 h LYS 98 Ca 0.10 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1rv1 h LYS 98 Cb 0.03 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1rv1 h LYS 98 CO -0.07 0.48 0.07 0.82 -2.27 0.00 0.00 179.45 178.48 1rv1 h ILE 99 N 0.75 1.24 -0.64 2.00 2.04 -0.22 -0.50 117.51 122.19 1rv1 h ILE 99 Ca 0.41 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1rv1 h ILE 99 Cb 0.44 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1rv1 h ILE 99 CO -0.28 0.30 0.24 1.88 0.00 0.00 0.00 178.15 180.30 1rv1 h TYR 100 N 0.57 0.96 -0.34 1.37 0.99 0.10 -1.92 116.97 118.69 1rv1 h TYR 100 Ca 0.13 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 1rv1 h TYR 100 Cb 0.37 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 37.80 1rv1 h TYR 100 CO 0.03 0.75 0.05 1.15 -0.00 0.00 0.00 178.16 180.14 1rv1 h THR 101 N 0.93 1.24 -0.22 -2.88 2.02 -0.43 0.83 112.91 114.39 1rv1 h THR 101 Ca 0.22 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 1rv1 h THR 101 Cb 0.21 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1rv1 h THR 101 CO -0.02 0.28 -0.14 0.24 0.37 0.00 0.00 175.52 176.25 1rv1 h MET 102 N 0.40 0.36 -0.13 6.66 2.86 -0.87 -1.90 114.93 122.31 1rv1 h MET 102 Ca 0.10 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 1rv1 h MET 102 Cb 0.36 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.98 1rv1 h MET 102 CO 0.01 0.50 -0.55 0.82 1.06 0.00 0.00 176.91 178.75 1rv1 h ILE 103 N 0.34 1.34 -0.49 -1.22 2.04 -1.16 -3.26 117.51 115.10 1rv1 h ILE 103 Ca 0.06 -1.83 0.10 0.00 1.00 0.00 0.00 64.86 64.20 1rv1 h ILE 103 Cb 0.45 2.09 -0.10 0.00 -0.74 0.00 0.00 36.82 38.52 1rv1 h ILE 103 CO 0.03 0.56 -0.19 0.22 0.00 0.00 0.00 178.15 178.77 1rv1 h TYR 104 N 0.25 -0.47 0.00 1.37 5.03 -0.27 0.26 116.97 123.14 1rv1 h TYR 104 Ca -0.03 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1rv1 h TYR 104 Cb 1.19 0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.75 1rv1 h TYR 104 CO 0.10 -0.28 0.10 -0.09 -1.32 0.00 0.00 178.16 176.68 1rv1 h ARG 105 N -0.08 0.00 -0.48 1.82 2.43 -1.41 0.85 114.38 117.51 1rv1 h ARG 105 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1rv1 h ARG 105 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1rv1 h ARG 105 CO -0.55 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.00 1rv1 n ASN 106 N -2.59 4.25 -4.58 -3.80 3.02 0.89 -4.96 115.26 107.49 1rv1 n ASN 106 Ca -0.02 -2.55 -0.34 0.00 -0.03 0.00 0.00 54.58 51.64 1rv1 n ASN 106 Cb 0.15 -0.51 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 1rv1 n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rv1 s LEU 107 N -2.02 3.34 -0.98 3.41 1.43 0.29 -0.99 118.68 123.17 1rv1 s LEU 107 Ca 0.43 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 53.31 1rv1 s LEU 107 Cb 0.30 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.64 1rv1 s LEU 107 CO 0.18 0.28 1.95 0.52 0.23 0.00 0.00 176.35 179.52 1rv1 n VAL 108 N 2.76 2.17 0.12 -1.59 0.31 0.18 -4.82 118.33 117.47 1rv1 n VAL 108 Ca -0.18 -2.01 0.01 0.00 -0.01 0.00 0.00 64.34 62.16 1rv1 n VAL 108 Cb 0.53 -2.33 0.01 0.00 -0.91 0.00 0.00 33.84 31.14 1rv1 n VAL 108 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03