#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 4.59 0.00 1.20 0.04 -1.26 -5.05 135.00 134.52 2rng s PRO 2 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2rng s PRO 2 Cb 0.00 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2rng s PRO 2 CO 0.00 0.20 0.00 -0.11 0.04 0.00 0.00 177.00 177.13 2rng n LEU 3 N 1.01 0.00 -4.76 -3.56 0.00 -1.26 -5.11 117.00 103.32 2rng n LEU 3 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 55.62 2rng n LEU 3 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.90 2rng n LEU 3 CO 0.52 0.00 1.00 -0.63 0.00 0.00 0.00 177.39 178.28 2rng s ILE 4 N -1.36 2.27 0.00 1.96 -1.09 -1.26 -5.01 121.20 116.70 2rng s ILE 4 Ca 0.00 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 2rng s ILE 4 Cb 0.00 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 2rng s ILE 4 CO 0.00 0.02 0.00 -0.81 -1.23 0.00 0.00 174.94 172.92 2rng n PRO 5 N -0.45 1.26 -0.03 2.79 -0.04 -1.26 -5.02 135.00 132.25 2rng n PRO 5 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2rng n PRO 5 Cb 0.44 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.85 2rng n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rng n ALA 6 N -3.00 1.84 0.02 0.55 0.00 -1.26 -4.69 120.51 113.98 2rng n ALA 6 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 2rng n ALA 6 Cb 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 2rng n ALA 6 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2rng h ILE 7 N 0.00 0.28 -1.11 0.00 6.09 -1.96 0.50 117.51 121.32 2rng h ILE 7 Ca -0.18 0.00 0.32 0.00 -1.37 0.00 0.00 64.86 63.63 2rng h ILE 7 Cb 1.39 0.28 -0.04 0.00 0.47 0.00 0.00 36.82 38.92 2rng h ILE 7 CO 0.01 0.00 0.84 1.88 -3.07 0.00 0.00 178.15 177.81 2rng h TYR 8 N -0.43 0.00 -2.96 2.19 0.05 -1.92 -3.31 116.97 110.59 2rng h TYR 8 Ca 0.08 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.33 2rng h TYR 8 Cb 0.56 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.32 2rng h TYR 8 CO -0.39 0.00 0.77 0.42 -1.05 0.00 0.00 178.16 177.91 2rng s ILE 9 N -4.89 3.27 -1.69 -2.88 1.01 0.17 -1.89 121.20 114.30 2rng s ILE 9 Ca -0.05 0.88 -0.02 0.00 0.00 0.00 0.00 60.65 61.47 2rng s ILE 9 Cb 0.22 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 39.12 2rng s ILE 9 CO 0.76 0.06 0.24 0.61 0.00 0.00 0.00 174.94 176.61 2rng n GLY 10 N 3.56 -0.51 0.00 6.18 0.00 0.14 -4.95 105.19 109.61 2rng n GLY 10 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.62 0.00 -3.27 4.61 0.00 -0.79 -4.86 120.51 113.57 2rng n ALA 11 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 2rng n ALA 11 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 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 0.23 -0.71 0.62 0.00 2.01 -1.26 -1.87 115.64 114.65 2rng s THR 12 Ca 0.00 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.78 2rng s THR 12 Cb 0.00 -0.99 0.08 0.00 0.01 0.00 0.00 72.50 71.59 2rng s THR 12 CO 0.00 -0.23 0.85 0.68 -0.69 0.00 0.00 174.62 175.24 2rng s VAL 13 N 2.60 2.41 0.00 3.82 -7.23 0.55 -4.75 120.40 117.80 2rng s VAL 13 Ca 0.10 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2rng s VAL 13 Cb -0.12 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2rng s VAL 13 CO -0.29 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2rng n GLY 14 N -2.51 -0.00 0.07 2.32 0.00 -1.25 0.73 105.19 104.55 2rng n GLY 14 Ca 0.12 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 0.03 0.02 1.61 0.13 -1.80 -1.54 132.00 130.45 2rng h PRO 15 Ca 0.00 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2rng h PRO 15 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2rng h PRO 15 CO 0.00 0.73 -0.01 1.03 -0.23 0.00 0.00 178.00 179.52 2rng h SER 16 N -0.67 -0.02 0.09 1.44 0.87 -1.94 -2.34 113.55 110.97 2rng h SER 16 Ca -0.00 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2rng h SER 16 Cb 0.74 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2rng h SER 16 CO 0.01 0.01 -0.05 0.58 -0.53 0.00 0.00 176.83 176.85 2rng h VAL 17 N -0.05 0.96 -0.22 2.23 2.07 -1.94 -2.65 116.25 116.66 2rng h VAL 17 Ca -0.00 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2rng h VAL 17 Cb 0.04 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2rng h VAL 17 CO 0.00 0.04 -0.23 -0.25 0.02 0.00 0.00 177.57 177.16 2rng h TRP 18 N -0.21 -0.71 -0.94 1.57 2.91 -1.15 0.18 115.95 117.61 2rng h TRP 18 Ca -0.01 0.04 0.29 0.00 1.13 0.00 0.00 58.89 60.33 2rng h TRP 18 Cb 0.17 0.34 -0.16 0.00 -0.51 0.00 0.00 29.16 29.00 2rng h TRP 18 CO -0.05 -0.19 0.31 0.00 -1.03 0.00 0.00 178.44 177.49 2rng h ALA 19 N -0.70 1.53 0.36 2.65 0.00 -1.40 -1.25 119.26 120.45 2rng h ALA 19 Ca 0.04 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2rng h ALA 19 Cb 0.22 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2rng h ALA 19 CO -0.27 -0.58 -0.26 -0.92 0.00 0.00 0.00 179.25 177.22 2rng h TYR 20 N 0.16 -0.70 -1.08 0.00 3.20 -0.30 -2.15 116.97 116.09 2rng h TYR 20 Ca 0.64 -0.00 0.35 0.00 3.14 0.00 0.00 58.73 62.87 2rng h TYR 20 Cb 1.42 0.26 -0.14 0.00 1.54 0.00 0.00 36.73 39.81 2rng h TYR 20 CO -0.22 -0.37 0.65 1.25 -1.64 0.00 0.00 178.16 177.83 2rng h LEU 21 N -0.59 0.42 0.21 2.82 6.46 -0.23 0.10 115.31 124.50 2rng h LEU 21 Ca -0.05 0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2rng h LEU 21 Cb 0.49 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 2rng h LEU 21 CO 0.02 -0.15 -0.33 0.58 -0.62 0.00 0.00 178.44 177.94 2rng h VAL 22 N 0.24 0.30 -0.79 1.05 2.07 -0.72 -1.86 116.25 116.54 2rng h VAL 22 Ca 0.75 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.41 2rng h VAL 22 Cb 1.94 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.92 2rng h VAL 22 CO -0.54 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.41 2rng h ALA 23 N -0.03 1.14 -0.71 1.67 0.00 -0.47 -0.07 119.26 120.79 2rng h ALA 23 Ca 0.01 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2rng h ALA 23 Cb 0.60 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2rng h ALA 23 CO -0.14 -0.14 0.37 1.25 0.00 0.00 0.00 179.25 180.59 2rng h LEU 24 N 0.53 0.51 0.00 0.00 5.85 -1.02 -3.42 115.31 117.76 2rng h LEU 24 Ca 0.43 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.20 2rng h LEU 24 Cb 0.61 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2rng h LEU 24 CO -0.37 0.30 0.00 0.55 -0.34 0.00 0.00 178.44 178.58 2rng n VAL 25 N -4.83 0.00 0.00 1.05 3.14 -0.17 -4.98 118.33 112.55 2rng n VAL 25 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2rng n VAL 25 Cb 0.25 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 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 3.55 0.68 0.33 7.55 0.00 -0.46 -4.98 105.19 111.86 2rng n GLY 26 Ca 0.00 -0.81 0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 1.08 0.26 4.61 0.00 -1.94 -0.74 119.26 122.53 2rng h ALA 27 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 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 0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 2rng h ALA 28 N 1.99 -0.49 0.00 0.00 0.00 -1.97 -1.92 119.26 116.87 2rng h ALA 28 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rng h ALA 28 Cb 0.07 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2rng h ALA 28 CO 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.79 2rng h ALA 29 N -1.46 1.00 0.00 0.00 0.00 -1.92 -0.44 119.26 116.44 2rng h ALA 29 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2rng h ALA 29 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2rng h ALA 29 CO 0.06 0.00 -0.85 0.28 0.00 0.00 0.00 179.25 178.74 2rng h VAL 30 N 0.00 1.51 0.00 0.00 2.07 -1.10 -2.14 116.25 116.60 2rng h VAL 30 Ca 0.00 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.88 2rng h VAL 30 Cb 0.16 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2rng h VAL 30 CO 0.00 0.77 -1.11 0.41 0.02 0.00 0.00 177.57 177.65 2rng n THR 31 N -3.64 0.31 0.07 2.57 -1.04 -0.47 -3.74 114.28 108.33 2rng n THR 31 Ca -0.03 -0.38 0.04 0.00 -2.04 0.00 0.00 64.05 61.64 2rng n THR 31 Cb 0.79 -0.03 -0.04 0.00 -1.82 0.00 0.00 70.33 69.24 2rng n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rng h ALA 32 N 2.29 0.63 -0.12 2.41 0.00 -1.13 -3.29 119.26 120.04 2rng h ALA 32 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2rng h ALA 32 Cb 0.85 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2rng h ALA 32 CO 0.00 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2rng n ALA 33 N -2.31 2.49 -3.02 0.00 0.00 -0.81 -4.92 120.51 111.95 2rng n ALA 33 Ca -0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 2rng n ALA 33 Cb 0.74 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.14 -7.71 -4.06 0.00 2.85 -1.24 -1.33 115.26 103.63 2rng n ASN 34 Ca 0.04 0.13 -0.29 0.00 -0.11 0.00 0.00 54.58 54.35 2rng n ASN 34 Cb 0.11 -5.13 -0.17 0.00 1.24 0.00 0.00 39.78 35.83 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 -2.81 1.51 0.02 -1.44 1.01 -1.25 0.27 121.20 118.52 2rng s ILE 35 Ca 0.11 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2rng s ILE 35 Cb -0.03 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2rng s ILE 35 CO 0.77 0.44 0.02 -0.13 0.00 0.00 0.00 174.94 176.04 2rng s ARG 36 N 0.99 2.80 0.33 2.79 0.52 -0.78 -4.91 118.95 120.69 2rng s ARG 36 Ca -0.06 -0.64 -0.08 0.00 -0.52 0.00 0.00 55.73 54.43 2rng s ARG 36 Cb -0.15 -2.68 -0.06 0.00 0.52 0.00 0.00 34.95 32.58 2rng s ARG 36 CO -0.02 0.61 0.64 1.03 0.02 0.00 0.00 175.30 177.58 2rng s ARG 37 N -1.81 3.71 0.22 3.54 0.52 -1.25 -0.33 118.95 123.55 2rng s ARG 37 Ca 0.22 0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.73 2rng s ARG 37 Cb -0.12 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 2rng s ARG 37 CO 0.14 0.12 -0.11 0.00 0.02 0.00 0.00 175.30 175.46 2rng s ALA 38 N -2.17 2.07 0.58 2.13 0.00 0.22 -4.84 121.76 119.75 2rng s ALA 38 Ca 0.47 -1.72 0.29 0.00 0.00 0.00 0.00 51.96 51.00 2rng s ALA 38 Cb -0.11 0.02 1.46 0.00 0.00 0.00 0.00 23.12 24.49 2rng s ALA 38 CO 0.29 0.01 1.88 0.77 0.00 0.00 0.00 175.76 178.71 2rng h SER 39 N 2.49 0.00 -2.17 0.00 0.02 -1.89 -3.23 113.55 108.77 2rng h SER 39 Ca -0.38 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.63 2rng h SER 39 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2rng h SER 39 CO 0.63 0.00 0.34 -1.20 -1.14 0.00 0.00 176.83 175.47 2rng n SER 40 N -3.81 -1.42 0.22 3.07 7.64 -1.26 -4.73 113.62 113.34 2rng n SER 40 Ca 0.11 -1.85 0.18 0.00 1.01 0.00 0.00 58.87 58.32 2rng n SER 40 Cb 0.75 2.33 0.86 0.00 -1.01 0.00 0.00 64.21 67.14 2rng n SER 40 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rng h ASP 41 N 1.44 0.00 -3.62 6.43 5.19 -1.86 -3.32 116.42 120.68 2rng h ASP 41 Ca -0.22 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.58 2rng h ASP 41 Cb 0.88 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.28 2rng h ASP 41 CO 0.28 0.00 0.46 0.21 -3.12 0.00 0.00 179.24 177.07 2rng s ASN 42 N -5.55 6.48 0.30 6.45 2.47 -1.26 -4.54 114.94 119.28 2rng s ASN 42 Ca -0.05 0.08 -0.05 0.00 0.42 0.00 0.00 52.86 53.27 2rng s ASN 42 Cb 0.14 -2.42 -0.00 0.00 -1.45 0.00 0.00 41.25 37.52 2rng s ASN 42 CO 0.51 -0.93 0.43 -1.38 -3.72 0.00 0.00 177.10 172.00 2rng s HIS 43 N 3.44 0.91 0.23 0.43 -3.43 -1.26 -4.76 115.29 110.85 2rng s HIS 43 Ca 0.33 -1.17 -0.30 0.00 -0.80 0.00 0.00 55.06 53.13 2rng s HIS 43 Cb -0.11 -0.08 -0.09 0.00 -1.43 0.00 0.00 32.58 30.86 2rng s HIS 43 CO 0.23 -1.03 1.01 -1.54 -2.00 0.00 0.00 174.74 171.41 2rng s SER 44 N -3.17 7.47 0.41 7.38 1.04 -1.26 -0.90 113.70 124.65 2rng s SER 44 Ca 0.30 2.05 0.04 0.00 0.48 0.00 0.00 55.95 58.82 2rng s SER 44 Cb 0.01 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 2rng s SER 44 CO 0.16 -0.01 0.15 0.00 0.98 0.00 0.00 173.24 174.53 2rng n ALA 46 N -0.90 -1.10 -0.54 0.00 0.00 -1.26 -2.11 120.51 114.60 2rng n ALA 46 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2rng n ALA 46 Cb 0.64 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.17 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 -1.21 0.68 1.50 0.00 0.00 -1.26 -2.69 105.19 102.20 2rng n GLY 47 Ca 0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 2rng n GLY 47 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2rng n ASN 48 N -0.35 3.74 -0.03 1.61 0.23 -1.26 -3.87 115.26 115.33 2rng n ASN 48 Ca 0.00 -2.63 -0.03 0.00 -0.53 0.00 0.00 54.58 51.39 2rng n ASN 48 Cb 0.00 -0.69 -0.04 0.00 -2.08 0.00 0.00 39.78 36.97 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2rng n ARG 49 N 0.03 2.62 -4.50 -3.83 1.74 -1.10 -5.06 116.66 106.57 2rng n ARG 49 Ca 0.22 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.06 2rng n ARG 49 Cb 0.86 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 31.07 2rng n ARG 49 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2rng s GLY 50 N -3.80 2.08 0.21 -0.13 0.00 -0.90 -4.45 107.32 100.33 2rng s GLY 50 Ca -0.04 -2.04 -0.06 0.00 0.00 0.00 0.00 44.72 42.59 2rng s GLY 50 CO 0.20 -1.95 0.27 -0.98 0.00 0.00 0.00 173.10 170.63 2rng s TRP 51 N -2.83 0.82 -0.30 1.90 0.52 -0.96 -1.61 118.94 116.48 2rng s TRP 51 Ca 0.32 -1.11 -0.06 0.00 0.02 0.00 0.00 56.10 55.27 2rng s TRP 51 Cb 0.04 -0.26 0.02 0.00 -1.15 0.00 0.00 33.47 32.13 2rng s TRP 51 CO 0.15 -0.77 0.07 0.00 0.02 0.00 0.00 176.95 176.41 2rng s ARG 53 N 1.45 1.06 0.17 0.00 3.00 -0.76 -4.30 118.95 119.57 2rng s ARG 53 Ca 0.01 -1.46 -0.17 0.00 0.00 0.00 0.00 55.73 54.11 2rng s ARG 53 Cb -0.18 -0.52 0.12 0.00 0.00 0.00 0.00 34.95 34.37 2rng s ARG 53 CO 0.02 0.02 1.65 0.66 0.00 0.00 0.00 175.30 177.65 2rng h SER 54 N 2.77 -0.49 -4.83 0.23 4.64 -1.95 -2.77 113.55 111.16 2rng h SER 54 Ca -0.37 0.14 -0.58 0.00 -0.47 0.00 0.00 61.79 60.52 2rng h SER 54 Cb 1.19 0.30 -0.12 0.00 -0.31 0.00 0.00 62.40 63.46 2rng h SER 54 CO 0.64 -0.17 -0.44 0.29 -0.87 0.00 0.00 176.83 176.27 2rng n LYS 55 N -5.34 0.74 -4.46 4.77 4.76 -1.26 -4.41 118.16 112.96 2rng n LYS 55 Ca 0.03 -3.37 -0.22 0.00 -2.87 0.00 0.00 58.31 51.87 2rng n LYS 55 Cb 0.25 1.30 -0.10 0.00 -1.84 0.00 0.00 35.03 34.64 2rng n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rng s PHE 57 N -3.00 2.69 0.14 0.00 0.08 -1.26 -4.95 117.98 111.67 2rng s PHE 57 Ca 0.32 0.68 -0.10 0.00 0.12 0.00 0.00 56.93 57.95 2rng s PHE 57 Cb 0.05 -3.60 -0.06 0.00 -0.57 0.00 0.00 43.02 38.85 2rng s PHE 57 CO 0.14 -1.96 1.43 -0.09 -0.10 0.00 0.00 175.22 174.63 2rng h ARG 58 N -1.19 0.84 0.00 0.44 2.43 -2.00 -2.58 114.38 112.33 2rng h ARG 58 Ca -0.46 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.18 2rng h ARG 58 Cb 1.31 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2rng h ARG 58 CO 0.61 1.16 0.00 0.72 -1.51 0.00 0.00 179.97 180.95 2rng n HIS 59 N -4.00 0.00 -4.15 2.20 8.25 -1.26 -4.76 115.22 111.50 2rng n HIS 59 Ca -0.04 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.35 2rng n HIS 59 Cb 0.62 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 2rng n HIS 59 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2rng n GLU 60 N -1.15 1.19 -0.74 -0.41 1.02 -0.97 -4.39 120.64 115.19 2rng n GLU 60 Ca 0.11 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 2rng n GLU 60 Cb 0.10 0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 2rng n GLU 60 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2rng n TYR 61 N -0.26 -0.09 -3.65 -0.32 4.11 -0.91 -4.66 117.16 111.38 2rng n TYR 61 Ca -0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.49 2rng n TYR 61 Cb 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.41 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 -1.77 4.07 -0.97 -3.48 1.01 -1.26 -2.13 120.40 115.86 2rng s VAL 62 Ca 0.00 -2.95 -0.15 0.00 0.00 0.00 0.00 61.98 58.88 2rng s VAL 62 Cb 0.00 -3.61 -0.29 0.00 0.00 0.00 0.00 36.38 32.47 2rng s VAL 62 CO 0.00 -0.92 2.30 -0.67 0.00 0.00 0.00 175.10 175.81 2rng n ASP 63 N 3.48 -0.77 0.19 3.32 -0.08 0.30 -4.67 116.55 118.31 2rng n ASP 63 Ca 0.10 -0.46 0.13 0.00 -1.51 0.00 0.00 54.79 53.05 2rng n ASP 63 Cb 0.39 -0.72 0.72 0.00 2.34 0.00 0.00 41.12 43.85 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2rng h THR 64 N 7.28 0.79 -0.03 5.18 1.35 -1.95 0.11 112.91 125.64 2rng h THR 64 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.86 2rng h THR 64 Cb 1.16 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2rng h THR 64 CO 1.52 0.00 -0.02 0.22 -0.25 0.00 0.00 175.52 176.99 2rng h TYR 65 N 0.00 0.09 -0.00 4.73 3.20 -1.93 -3.12 116.97 119.94 2rng h TYR 65 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2rng h TYR 65 Cb 0.32 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2rng h TYR 65 CO 0.00 0.50 -0.12 0.66 -1.64 0.00 0.00 178.16 177.55 2rng n TYR 66 N -4.82 0.00 0.25 -3.82 4.02 -0.91 -3.65 117.16 108.23 2rng n TYR 66 Ca -0.08 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.97 2rng n TYR 66 Cb 0.25 -0.37 0.69 0.00 -0.02 0.00 0.00 39.34 39.89 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 0.10 0.00 0.07 7.72 0.87 -0.72 -2.39 113.55 119.19 2rng h SER 67 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rng h SER 67 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2rng h SER 67 CO 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 176.83 176.27 2rng h ALA 68 N 1.19 -0.65 -1.35 6.23 0.00 -1.76 -2.68 119.26 120.24 2rng h ALA 68 Ca 0.07 -0.02 0.39 0.00 0.00 0.00 0.00 54.91 55.36 2rng h ALA 68 Cb 1.03 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2rng h ALA 68 CO -0.00 -0.64 0.97 -0.24 0.00 0.00 0.00 179.25 179.34 2rng h VAL 69 N -0.13 0.32 0.00 0.00 3.04 -1.72 -2.02 116.25 115.75 2rng h VAL 69 Ca -0.01 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2rng h VAL 69 Cb 0.07 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 29.65 2rng h VAL 69 CO 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.58 2rng n GLY 71 N -0.93 0.87 0.37 0.00 0.00 -0.76 -4.45 105.19 100.28 2rng n GLY 71 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 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 1.27 0.00 1.61 3.08 -1.91 -3.43 114.38 115.00 2rng h ARG 72 Ca 0.00 -0.12 -0.37 0.00 0.07 0.00 0.00 59.98 59.56 2rng h ARG 72 Cb 0.00 -0.26 0.07 0.00 0.08 0.00 0.00 29.97 29.86 2rng h ARG 72 CO 0.00 0.89 0.10 0.66 -1.07 0.00 0.00 179.97 180.55 2rng n TYR 73 N -4.35 -3.04 -4.67 3.04 4.01 -1.26 -5.00 117.16 105.88 2rng n TYR 73 Ca 0.10 -1.39 -0.28 0.00 -0.16 0.00 0.00 57.90 56.18 2rng n TYR 73 Cb 0.07 -0.58 -0.14 0.00 -0.31 0.00 0.00 39.34 38.37 2rng n TYR 73 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2rng s PHE 74 N -2.41 2.07 -0.71 -0.72 0.40 -1.05 -4.72 117.98 110.84 2rng s PHE 74 Ca 0.53 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 56.22 2rng s PHE 74 Cb -0.03 -1.21 0.06 0.00 0.51 0.00 0.00 43.02 42.35 2rng s PHE 74 CO 0.35 0.15 1.10 0.00 0.70 0.00 0.00 175.22 177.52 2rng n ARG 77 N -3.10 0.52 -3.75 0.00 1.74 -0.91 -2.27 116.66 108.89 2rng n ARG 77 Ca 0.07 -1.45 -0.37 0.00 -0.77 0.00 0.00 57.85 55.33 2rng n ARG 77 Cb 0.56 1.57 -0.11 0.00 -1.02 0.00 0.00 32.46 33.46 2rng n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2rng s SER 78 N -2.22 5.30 0.00 0.55 0.15 -1.26 -2.13 113.70 114.09 2rng s SER 78 Ca 0.13 -1.84 0.11 0.00 0.70 0.00 0.00 55.95 55.05 2rng s SER 78 Cb -0.02 -1.85 0.65 0.00 -1.71 0.00 0.00 66.02 63.09 2rng s SER 78 CO 0.10 -0.52 1.09 -1.14 1.20 0.00 0.00 173.24 173.96