#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rng s PRO 2 N 0.00 4.30 0.12 3.52 0.04 -1.26 -5.02 135.00 136.71 2rng s PRO 2 Ca 0.00 1.85 0.02 0.00 0.04 0.00 0.00 61.00 62.91 2rng s PRO 2 Cb 0.00 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 2rng s PRO 2 CO 0.00 -0.54 -0.06 -1.17 0.04 0.00 0.00 177.00 175.27 2rng s LEU 3 N 2.41 2.44 0.48 -3.56 0.20 -1.26 -5.11 118.68 114.28 2rng s LEU 3 Ca 0.61 -1.04 -0.19 0.00 0.69 0.00 0.00 54.13 54.19 2rng s LEU 3 Cb -0.28 -0.12 -0.13 0.00 -0.43 0.00 0.00 46.19 45.22 2rng s LEU 3 CO 0.24 -0.46 0.18 -0.38 -0.29 0.00 0.00 176.35 175.64 2rng n ILE 4 N -0.11 0.94 -1.55 6.68 2.08 -1.26 -4.92 119.36 121.21 2rng n ILE 4 Ca -0.11 -0.50 -0.29 0.00 0.56 0.00 0.00 62.75 62.41 2rng n ILE 4 Cb 0.61 -0.24 0.11 0.00 -0.75 0.00 0.00 39.64 39.37 2rng n ILE 4 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2rng s PRO 5 N -1.33 1.75 0.22 0.38 0.04 -1.26 -4.96 135.00 129.83 2rng s PRO 5 Ca 0.61 0.50 0.24 0.00 0.04 0.00 0.00 61.00 62.40 2rng s PRO 5 Cb -0.54 -1.89 0.41 0.00 0.04 0.00 0.00 34.50 32.53 2rng s PRO 5 CO 0.61 -1.82 1.46 0.00 0.04 0.00 0.00 177.00 177.29 2rng h ALA 6 N -1.23 0.77 -0.38 8.56 0.00 -1.96 -3.35 119.26 121.66 2rng h ALA 6 Ca -0.48 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.48 2rng h ALA 6 Cb 1.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2rng h ALA 6 CO 0.60 0.00 0.10 0.97 0.00 0.00 0.00 179.25 180.93 2rng h ILE 7 N 0.00 0.84 -0.34 0.00 6.09 -1.93 -0.44 117.51 121.73 2rng h ILE 7 Ca 0.00 -0.08 0.10 0.00 -1.37 0.00 0.00 64.86 63.50 2rng h ILE 7 Cb 0.84 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.69 2rng h ILE 7 CO 0.00 0.04 0.46 1.88 -3.07 0.00 0.00 178.15 177.46 2rng h TYR 8 N 0.24 0.00 -3.50 2.19 0.05 -1.90 -3.36 116.97 110.68 2rng h TYR 8 Ca 0.18 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.43 2rng h TYR 8 Cb 0.19 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.02 2rng h TYR 8 CO -0.17 0.00 0.86 0.42 -1.05 0.00 0.00 178.16 178.22 2rng s ILE 9 N -4.49 2.04 -1.14 -2.88 1.01 -0.18 -1.22 121.20 114.36 2rng s ILE 9 Ca -0.04 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 2rng s ILE 9 Cb 0.14 -3.02 0.08 0.00 0.01 0.00 0.00 42.46 39.66 2rng s ILE 9 CO 0.48 0.01 0.39 0.61 0.00 0.00 0.00 174.94 176.42 2rng n GLY 10 N 1.68 -0.47 0.00 6.18 0.00 0.25 -4.90 105.19 107.92 2rng n GLY 10 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2rng n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng n ALA 11 N -3.34 0.00 -3.30 4.61 0.00 -0.35 -4.95 120.51 113.18 2rng n ALA 11 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2rng n ALA 11 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 2rng n ALA 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2rng s THR 12 N 0.10 -0.43 0.00 0.00 2.01 -1.26 -0.96 115.64 115.10 2rng s THR 12 Ca 0.00 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.03 2rng s THR 12 Cb 0.00 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.95 2rng s THR 12 CO 0.00 -0.51 0.00 1.33 -0.69 0.00 0.00 174.62 174.75 2rng n VAL 13 N 4.06 0.00 -2.91 3.82 0.24 0.51 -4.69 118.33 119.35 2rng n VAL 13 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 2rng n VAL 13 Cb 0.48 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 2rng n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rng n GLY 14 N 5.00 4.57 0.14 7.63 0.00 -1.26 0.30 105.19 121.57 2rng n GLY 14 Ca 0.00 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 2rng n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rng h PRO 15 N 0.00 0.37 -0.05 1.61 0.13 -1.80 -1.78 132.00 130.49 2rng h PRO 15 Ca 0.00 -0.29 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2rng h PRO 15 Cb 0.00 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 2rng h PRO 15 CO 0.00 0.93 -0.01 0.77 -0.23 0.00 0.00 178.00 179.45 2rng h SER 16 N -0.10 0.09 -0.24 1.44 0.02 -1.94 -2.61 113.55 110.22 2rng h SER 16 Ca -0.02 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.57 2rng h SER 16 Cb 0.98 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2rng h SER 16 CO 0.07 0.45 0.12 0.58 -1.14 0.00 0.00 176.83 176.91 2rng h VAL 17 N -0.27 0.99 0.06 2.27 2.07 -1.91 -2.60 116.25 116.86 2rng h VAL 17 Ca 0.01 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2rng h VAL 17 Cb 0.41 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2rng h VAL 17 CO 0.00 0.05 -0.51 -0.25 0.02 0.00 0.00 177.57 176.88 2rng h TRP 18 N 0.26 -1.47 -1.02 1.57 2.91 -1.31 0.31 115.95 117.20 2rng h TRP 18 Ca 0.10 0.04 0.31 0.00 1.13 0.00 0.00 58.89 60.48 2rng h TRP 18 Cb 0.03 0.64 -0.14 0.00 -0.51 0.00 0.00 29.16 29.17 2rng h TRP 18 CO -0.09 -0.57 0.59 0.00 -1.03 0.00 0.00 178.44 177.34 2rng h ALA 19 N -0.38 1.98 0.55 2.65 0.00 -1.27 -1.41 119.26 121.38 2rng h ALA 19 Ca 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2rng h ALA 19 Cb 0.73 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2rng h ALA 19 CO -0.32 -0.56 -0.27 -0.92 0.00 0.00 0.00 179.25 177.19 2rng h TYR 20 N 0.36 -0.69 -0.83 0.00 3.20 -0.59 -2.67 116.97 115.75 2rng h TYR 20 Ca 0.72 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.70 2rng h TYR 20 Cb 1.63 0.23 -0.14 0.00 1.54 0.00 0.00 36.73 39.99 2rng h TYR 20 CO -0.01 -0.43 -0.38 1.25 -1.64 0.00 0.00 178.16 176.95 2rng h LEU 21 N -0.87 -1.37 -0.59 2.82 6.46 -0.26 0.23 115.31 121.74 2rng h LEU 21 Ca -0.08 0.28 0.12 0.00 -0.12 0.00 0.00 57.88 58.08 2rng h LEU 21 Cb 0.57 0.70 -0.11 0.00 -0.73 0.00 0.00 40.66 41.08 2rng h LEU 21 CO 0.13 -0.30 -0.16 0.58 -0.62 0.00 0.00 178.44 178.07 2rng h VAL 22 N -0.07 0.39 -0.81 1.05 2.07 -1.34 0.15 116.25 117.69 2rng h VAL 22 Ca 0.29 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.97 2rng h VAL 22 Cb 0.57 0.39 -0.10 0.00 -1.52 0.00 0.00 31.29 30.64 2rng h VAL 22 CO -0.86 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.09 2rng h ALA 23 N 1.56 1.20 -0.38 1.67 0.00 -0.19 0.11 119.26 123.24 2rng h ALA 23 Ca 0.28 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 2rng h ALA 23 Cb 0.44 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2rng h ALA 23 CO -0.61 -0.19 -0.11 1.25 0.00 0.00 0.00 179.25 179.58 2rng h LEU 24 N 0.50 0.65 0.00 0.00 5.85 -0.30 -3.44 115.31 118.58 2rng h LEU 24 Ca 0.46 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2rng h LEU 24 Cb 0.71 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2rng h LEU 24 CO -0.41 0.80 0.00 0.55 -0.34 0.00 0.00 178.44 179.04 2rng n VAL 25 N -4.18 0.00 0.00 1.05 3.14 0.23 -4.97 118.33 113.60 2rng n VAL 25 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2rng n VAL 25 Cb 0.35 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 2rng n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2rng n GLY 26 N 2.97 1.18 0.24 7.55 0.00 -0.26 -4.94 105.19 111.93 2rng n GLY 26 Ca 0.00 -0.90 0.17 0.00 0.00 0.00 0.00 46.02 45.29 2rng n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng h ALA 27 N 0.00 1.00 0.25 4.61 0.00 -1.95 -1.81 119.26 121.37 2rng h ALA 27 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rng h ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rng h ALA 27 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 2rng h ALA 28 N 2.04 -0.48 0.00 0.00 0.00 -1.98 -1.91 119.26 116.93 2rng h ALA 28 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2rng h ALA 28 Cb 0.14 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2rng h ALA 28 CO 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 179.25 178.77 2rng h ALA 29 N -1.46 1.20 -0.02 0.00 0.00 -1.92 -0.82 119.26 116.24 2rng h ALA 29 Ca -0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2rng h ALA 29 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2rng h ALA 29 CO 0.06 0.03 -0.70 0.28 0.00 0.00 0.00 179.25 178.92 2rng h VAL 30 N 0.00 1.46 0.00 0.00 2.07 -1.32 -2.22 116.25 116.24 2rng h VAL 30 Ca -0.00 -2.28 -0.19 0.00 0.82 0.00 0.00 66.70 65.05 2rng h VAL 30 Cb 0.13 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2rng h VAL 30 CO 0.00 0.66 -1.30 0.74 0.02 0.00 0.00 177.57 177.69 2rng h THR 31 N 0.08 0.71 0.00 2.57 2.02 -0.35 -3.27 112.91 114.67 2rng h THR 31 Ca -0.01 -2.28 -0.11 0.00 0.77 0.00 0.00 66.41 64.78 2rng h THR 31 Cb 1.24 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 2rng h THR 31 CO 0.10 0.41 -0.51 0.00 0.37 0.00 0.00 175.52 175.88 2rng h ALA 32 N 1.32 0.69 -0.09 6.16 0.00 -1.25 -3.10 119.26 122.99 2rng h ALA 32 Ca -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2rng h ALA 32 Cb 1.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2rng h ALA 32 CO 0.06 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.95 2rng n ALA 33 N -2.24 2.54 -2.92 0.00 0.00 -0.84 -4.94 120.51 112.10 2rng n ALA 33 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 2rng n ALA 33 Cb 0.72 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 19.06 2rng n ALA 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rng n ASN 34 N -0.26 -7.74 -4.31 0.00 2.85 -1.17 -1.46 115.26 103.16 2rng n ASN 34 Ca 0.11 0.44 -0.32 0.00 -0.11 0.00 0.00 54.58 54.70 2rng n ASN 34 Cb 0.14 -5.08 -0.16 0.00 1.24 0.00 0.00 39.78 35.92 2rng n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2rng s ILE 35 N -2.55 2.25 0.12 -1.44 1.01 -1.23 0.85 121.20 120.20 2rng s ILE 35 Ca 0.24 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.94 2rng s ILE 35 Cb -0.06 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2rng s ILE 35 CO 0.78 0.57 -0.02 -0.13 0.00 0.00 0.00 174.94 176.14 2rng s ARG 36 N -0.34 2.42 -0.06 2.79 0.52 -0.14 -4.96 118.95 119.18 2rng s ARG 36 Ca 0.02 -0.95 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 2rng s ARG 36 Cb -0.12 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 2rng s ARG 36 CO 0.02 0.51 0.14 1.03 0.02 0.00 0.00 175.30 177.02 2rng s ARG 37 N -2.46 3.37 0.16 3.54 0.52 -1.26 -0.37 118.95 122.46 2rng s ARG 37 Ca 0.25 -0.26 0.11 0.00 -0.52 0.00 0.00 55.73 55.31 2rng s ARG 37 Cb -0.11 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 2rng s ARG 37 CO 0.17 0.72 -0.25 0.00 0.02 0.00 0.00 175.30 175.96 2rng s ALA 38 N -1.16 2.47 0.59 2.13 0.00 0.15 -4.90 121.76 121.04 2rng s ALA 38 Ca 0.21 -1.56 0.35 0.00 0.00 0.00 0.00 51.96 50.96 2rng s ALA 38 Cb -0.12 -0.36 1.28 0.00 0.00 0.00 0.00 23.12 23.92 2rng s ALA 38 CO 0.11 0.48 1.50 0.77 0.00 0.00 0.00 175.76 178.62 2rng h SER 39 N 3.52 0.00 -2.03 0.00 0.02 -1.88 -3.31 113.55 109.87 2rng h SER 39 Ca -0.49 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.49 2rng h SER 39 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2rng h SER 39 CO 0.44 0.00 0.25 -1.20 -1.14 0.00 0.00 176.83 175.17 2rng n SER 40 N -3.58 -1.27 0.07 3.07 7.64 -1.26 -4.75 113.62 113.54 2rng n SER 40 Ca 0.28 -1.80 0.06 0.00 1.01 0.00 0.00 58.87 58.41 2rng n SER 40 Cb 1.54 2.09 0.30 0.00 -1.01 0.00 0.00 64.21 67.13 2rng n SER 40 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2rng n ASP 41 N -1.20 0.27 -4.42 6.43 9.92 -1.26 -4.03 116.55 122.26 2rng n ASP 41 Ca -0.04 0.61 -0.44 0.00 -0.53 0.00 0.00 54.79 54.39 2rng n ASP 41 Cb 0.36 -0.65 -0.06 0.00 -0.64 0.00 0.00 41.12 40.13 2rng n ASP 41 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2rng s ASN 42 N -3.50 6.21 0.30 -2.24 3.84 -1.26 -4.60 114.94 113.68 2rng s ASN 42 Ca 0.01 -1.10 0.04 0.00 0.21 0.00 0.00 52.86 52.02 2rng s ASN 42 Cb 0.05 -2.30 -0.02 0.00 -0.55 0.00 0.00 41.25 38.43 2rng s ASN 42 CO 0.15 -0.98 0.31 0.00 -2.79 0.00 0.00 177.10 173.78 2rng n HIS 43 N 6.25 -0.90 -3.52 0.43 1.44 -1.26 -4.80 115.22 112.86 2rng n HIS 43 Ca -0.08 -2.35 -0.33 0.00 -2.01 0.00 0.00 57.72 52.95 2rng n HIS 43 Cb 0.44 0.33 -0.05 0.00 0.12 0.00 0.00 29.99 30.83 2rng n HIS 43 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2rng s SER 44 N -3.01 6.64 0.35 4.39 0.15 -1.26 -0.23 113.70 120.73 2rng s SER 44 Ca 0.32 0.83 0.06 0.00 0.70 0.00 0.00 55.95 57.87 2rng s SER 44 Cb 0.01 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 2rng s SER 44 CO 0.23 0.08 0.23 0.00 1.20 0.00 0.00 173.24 174.98 2rng n ALA 46 N -0.69 -1.75 -0.79 0.00 0.00 -1.26 -2.69 120.51 113.33 2rng n ALA 46 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2rng n ALA 46 Cb 0.63 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2rng n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rng n GLY 47 N -1.84 0.64 1.84 0.00 0.00 -1.26 -2.53 105.19 102.04 2rng n GLY 47 Ca -0.18 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2rng n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rng n ASN 48 N -2.22 5.87 -0.07 1.61 4.13 -1.26 -4.03 115.26 119.28 2rng n ASN 48 Ca 0.00 -2.75 -0.09 0.00 1.68 0.00 0.00 54.58 53.42 2rng n ASN 48 Cb 0.00 -1.17 -0.07 0.00 -1.54 0.00 0.00 39.78 37.01 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2rng n ARG 49 N 1.18 0.53 -4.43 3.52 5.12 -1.05 -5.05 116.66 116.49 2rng n ARG 49 Ca 0.24 0.07 -0.21 0.00 -1.93 0.00 0.00 57.85 56.01 2rng n ARG 49 Cb 0.60 -1.27 -0.10 0.00 -1.16 0.00 0.00 32.46 30.52 2rng n ARG 49 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2rng s GLY 50 N -5.23 1.81 0.22 -0.13 0.00 -1.10 -4.38 107.32 98.52 2rng s GLY 50 Ca -0.17 -1.89 0.01 0.00 0.00 0.00 0.00 44.72 42.67 2rng s GLY 50 CO 0.33 -1.85 0.06 -0.98 0.00 0.00 0.00 173.10 170.66 2rng s TRP 51 N -2.96 1.40 -0.27 1.90 0.23 -0.76 -1.97 118.94 116.50 2rng s TRP 51 Ca 0.29 -1.12 -0.07 0.00 -2.03 0.00 0.00 56.10 53.16 2rng s TRP 51 Cb 0.03 -0.81 -0.01 0.00 0.03 0.00 0.00 33.47 32.71 2rng s TRP 51 CO 0.12 -0.30 0.08 0.00 0.96 0.00 0.00 176.95 177.82 2rng s ARG 53 N 1.57 0.98 0.18 0.00 0.52 -0.62 -4.36 118.95 117.23 2rng s ARG 53 Ca 0.05 -1.16 -0.15 0.00 -0.52 0.00 0.00 55.73 53.95 2rng s ARG 53 Cb -0.16 -0.94 0.15 0.00 0.52 0.00 0.00 34.95 34.52 2rng s ARG 53 CO 0.03 0.19 1.68 1.03 0.02 0.00 0.00 175.30 178.26 2rng h SER 54 N 3.76 -0.24 -5.43 0.23 0.87 -1.94 -1.78 113.55 109.02 2rng h SER 54 Ca -0.41 0.11 -0.45 0.00 -1.23 0.00 0.00 61.79 59.82 2rng h SER 54 Cb 1.19 0.21 -0.13 0.00 -0.44 0.00 0.00 62.40 63.23 2rng h SER 54 CO 0.47 -0.08 -0.52 -0.75 -0.53 0.00 0.00 176.83 175.42 2rng s LYS 55 N -6.18 1.69 0.24 2.24 2.20 -1.26 -4.30 119.74 114.37 2rng s LYS 55 Ca -0.14 -1.98 -0.11 0.00 -0.36 0.00 0.00 55.97 53.39 2rng s LYS 55 Cb 0.15 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2rng s LYS 55 CO 0.72 -0.58 0.42 0.00 -0.36 0.00 0.00 175.35 175.55 2rng n PHE 57 N -0.36 -4.00 0.03 0.00 3.72 -1.26 -5.01 117.46 110.58 2rng n PHE 57 Ca -0.01 -0.60 -0.21 0.00 -0.05 0.00 0.00 57.45 56.57 2rng n PHE 57 Cb 0.63 -0.53 -0.14 0.00 -0.94 0.00 0.00 39.48 38.50 2rng n PHE 57 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2rng h ARG 58 N 0.00 0.28 -0.10 -1.08 2.43 -2.02 -3.27 114.38 110.62 2rng h ARG 58 Ca -0.22 -0.48 0.03 0.00 -0.81 0.00 0.00 59.98 58.49 2rng h ARG 58 Cb 0.61 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2rng h ARG 58 CO 0.16 1.23 0.55 1.25 -1.51 0.00 0.00 179.97 181.64 2rng h HIS 59 N -0.26 0.00 -1.02 2.20 2.76 -2.00 -3.40 115.15 113.43 2rng h HIS 59 Ca -0.27 0.00 -0.59 0.00 -2.20 0.00 0.00 60.37 57.30 2rng h HIS 59 Cb 1.79 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 30.67 2rng h HIS 59 CO 0.14 0.00 -0.44 -1.21 -1.30 0.00 0.00 177.93 175.12 2rng s GLU 60 N -4.15 2.23 0.00 5.26 2.02 -1.24 -4.68 118.70 118.15 2rng s GLU 60 Ca -0.03 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 52.95 2rng s GLU 60 Cb 0.08 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.38 2rng s GLU 60 CO 0.25 -0.32 0.00 2.48 0.02 0.00 0.00 175.26 177.69 2rng n TYR 61 N -1.41 0.00 -3.92 1.61 4.11 -1.07 -4.76 117.16 111.72 2rng n TYR 61 Ca -0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.55 2rng n TYR 61 Cb 0.65 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.84 2rng n TYR 61 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2rng s VAL 62 N -1.43 1.67 -0.84 -3.48 1.01 -1.26 -2.07 120.40 114.00 2rng s VAL 62 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.12 2rng s VAL 62 Cb 0.00 -2.12 -0.23 0.00 0.00 0.00 0.00 36.38 34.03 2rng s VAL 62 CO 0.00 -0.44 2.12 -0.90 0.00 0.00 0.00 175.10 175.88 2rng n ASP 63 N 4.55 -0.26 -0.21 3.32 5.68 -0.61 -4.65 116.55 124.38 2rng n ASP 63 Ca -0.03 -1.08 0.29 0.00 -0.50 0.00 0.00 54.79 53.47 2rng n ASP 63 Cb 0.43 -0.99 0.55 0.00 -1.14 0.00 0.00 41.12 39.96 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2rng h THR 64 N 7.21 0.08 -0.06 2.12 1.35 -1.96 0.36 112.91 122.02 2rng h THR 64 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.84 2rng h THR 64 Cb 1.07 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2rng h THR 64 CO 1.32 0.00 -0.11 0.22 -0.25 0.00 0.00 175.52 176.70 2rng h TYR 65 N 0.00 0.22 -0.01 4.73 3.20 -1.96 -3.26 116.97 119.89 2rng h TYR 65 Ca 0.48 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.27 2rng h TYR 65 Cb 2.64 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 40.86 2rng h TYR 65 CO 0.00 0.70 -0.21 0.66 -1.64 0.00 0.00 178.16 177.67 2rng n TYR 66 N -4.66 0.00 0.18 -3.82 4.02 0.10 -3.98 117.16 109.01 2rng n TYR 66 Ca -0.08 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.99 2rng n TYR 66 Cb 0.35 -0.10 0.69 0.00 -0.02 0.00 0.00 39.34 40.26 2rng n TYR 66 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2rng h SER 67 N 1.42 0.00 0.23 7.72 0.87 -1.01 -1.99 113.55 120.79 2rng h SER 67 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2rng h SER 67 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2rng h SER 67 CO 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 176.83 176.19 2rng h ALA 68 N 1.23 -0.50 -1.47 6.23 0.00 -1.79 -2.77 119.26 120.19 2rng h ALA 68 Ca 0.13 -0.07 0.43 0.00 0.00 0.00 0.00 54.91 55.40 2rng h ALA 68 Cb 1.15 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 2rng h ALA 68 CO -0.00 -0.48 1.05 -0.24 0.00 0.00 0.00 179.25 179.58 2rng h VAL 69 N -0.64 0.25 0.58 0.00 3.04 -1.65 0.67 116.25 118.51 2rng h VAL 69 Ca -0.03 -0.01 -0.03 0.00 -1.01 0.00 0.00 66.70 65.62 2rng h VAL 69 Cb 0.24 0.23 0.01 0.00 -2.01 0.00 0.00 31.29 29.76 2rng h VAL 69 CO 0.05 0.00 -0.28 0.00 -1.01 0.00 0.00 177.57 176.34 2rng n GLY 71 N -0.53 0.97 0.24 0.00 0.00 0.23 -4.24 105.19 101.85 2rng n GLY 71 Ca -0.11 -1.15 0.04 0.00 0.00 0.00 0.00 46.02 44.80 2rng n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rng h ARG 72 N 0.00 0.13 0.00 1.61 2.47 -1.89 -3.43 114.38 113.26 2rng h ARG 72 Ca 0.00 -0.03 -0.23 0.00 -1.26 0.00 0.00 59.98 58.46 2rng h ARG 72 Cb 0.00 -0.02 0.06 0.00 -1.65 0.00 0.00 29.97 28.36 2rng h ARG 72 CO 0.00 0.28 0.12 0.66 0.56 0.00 0.00 179.97 181.58 2rng n TYR 73 N -4.31 -3.47 -4.40 3.04 4.02 -1.26 -4.98 117.16 105.80 2rng n TYR 73 Ca -0.01 -0.79 -0.26 0.00 -0.01 0.00 0.00 57.90 56.83 2rng n TYR 73 Cb 0.25 -0.43 -0.17 0.00 -0.02 0.00 0.00 39.34 38.97 2rng n TYR 73 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2rng s PHE 74 N -1.84 1.55 -0.81 -0.72 0.40 -0.67 -4.79 117.98 111.10 2rng s PHE 74 Ca 0.36 -0.65 -0.26 0.00 -0.60 0.00 0.00 56.93 55.77 2rng s PHE 74 Cb -0.02 -1.17 0.03 0.00 0.51 0.00 0.00 43.02 42.38 2rng s PHE 74 CO 0.24 -0.37 1.34 0.00 0.70 0.00 0.00 175.22 177.13 2rng s ARG 77 N -5.53 1.78 -0.51 0.00 3.00 -0.88 -1.83 118.95 114.99 2rng s ARG 77 Ca 0.61 -1.00 -0.17 0.00 -1.00 0.00 0.00 55.73 54.18 2rng s ARG 77 Cb -0.11 0.60 0.09 0.00 0.00 0.00 0.00 34.95 35.52 2rng s ARG 77 CO 0.50 -0.82 0.51 -1.12 0.00 0.00 0.00 175.30 174.37 2rng s SER 78 N -2.93 6.18 0.00 -2.12 0.01 -1.26 -2.61 113.70 110.97 2rng s SER 78 Ca 0.11 -1.35 0.29 0.00 1.31 0.00 0.00 55.95 56.32 2rng s SER 78 Cb -0.06 -2.23 1.28 0.00 0.21 0.00 0.00 66.02 65.22 2rng s SER 78 CO 0.07 -0.81 1.87 -1.14 0.41 0.00 0.00 173.24 173.64