#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 4.52 0.01 1.20 0.04 -1.26 -5.02 135.00 134.49 2rng s PRO 2 Ca 0.00 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 2rng s PRO 2 Cb 0.00 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2rng s PRO 2 CO 0.00 -0.05 0.01 1.28 0.04 0.00 0.00 177.00 178.28 2rng n LEU 3 N 2.53 0.00 -4.43 -3.56 4.77 -1.26 -5.12 117.00 109.93 2rng n LEU 3 Ca 0.04 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 2rng n LEU 3 Cb 0.45 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2rng n LEU 3 CO 0.55 -0.02 0.00 -0.38 -1.33 0.00 0.00 177.39 176.22 2rng n ILE 4 N -0.02 1.62 0.00 -0.08 2.08 -1.26 -4.96 119.36 116.74 2rng n ILE 4 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2rng n ILE 4 Cb 0.02 -0.45 0.00 0.00 -0.75 0.00 0.00 39.64 38.46 2rng n ILE 4 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2rng n PRO 5 N 0.72 1.11 -0.00 0.38 -0.04 -1.26 -5.02 135.00 130.88 2rng n PRO 5 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2rng n PRO 5 Cb 0.39 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.84 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 2.04 0.03 0.55 0.00 -1.26 -4.72 120.51 114.16 2rng n ALA 6 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 2rng n ALA 6 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.62 -0.82 0.00 2.10 -1.95 -0.30 117.51 117.16 2rng h ILE 7 Ca -0.01 0.00 0.24 0.00 1.08 0.00 0.00 64.86 66.17 2rng h ILE 7 Cb 0.28 0.62 -0.03 0.00 -1.09 0.00 0.00 36.82 36.61 2rng h ILE 7 CO 0.00 0.00 0.87 1.88 -1.08 0.00 0.00 178.15 179.82 2rng h TYR 8 N -0.22 0.00 -2.61 2.19 0.05 -1.92 -3.35 116.97 111.11 2rng h TYR 8 Ca 0.07 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.32 2rng h TYR 8 Cb 0.31 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.09 2rng h TYR 8 CO -0.23 0.00 1.05 0.42 -1.05 0.00 0.00 178.16 178.35 2rng s ILE 9 N -4.57 2.48 -1.56 -2.88 1.01 -0.12 -0.69 121.20 114.86 2rng s ILE 9 Ca -0.04 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 2rng s ILE 9 Cb 0.16 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.55 2rng s ILE 9 CO 0.55 0.00 0.33 0.61 0.00 0.00 0.00 174.94 176.43 2rng n GLY 10 N 4.10 -0.51 0.00 6.18 0.00 0.16 -4.96 105.19 110.16 2rng n GLY 10 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.91 0.00 -3.22 4.61 0.00 0.13 -4.86 120.51 114.26 2rng n ALA 11 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 2rng n ALA 11 Cb 0.64 0.00 -0.02 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 0.92 -0.86 0.60 0.00 2.01 -1.26 -1.75 115.64 115.29 2rng s THR 12 Ca 0.00 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 61.89 2rng s THR 12 Cb 0.00 -0.75 0.08 0.00 0.01 0.00 0.00 72.50 71.84 2rng s THR 12 CO 0.00 -0.11 0.83 0.68 -0.69 0.00 0.00 174.62 175.33 2rng s VAL 13 N 2.44 2.40 0.00 3.82 -7.23 0.19 -4.74 120.40 117.27 2rng s VAL 13 Ca 0.12 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2rng s VAL 13 Cb -0.10 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2rng s VAL 13 CO -0.21 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2rng n GLY 14 N -2.43 -0.05 0.08 2.32 0.00 -1.25 0.57 105.19 104.43 2rng n GLY 14 Ca 0.12 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.06 -0.02 1.61 0.13 -1.83 -2.07 132.00 129.76 2rng h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.56 0.01 1.03 -0.23 0.00 0.00 178.00 179.37 2rng h SER 16 N -0.77 0.03 -0.28 1.44 0.87 -1.95 -1.97 113.55 110.92 2rng h SER 16 Ca -0.01 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2rng h SER 16 Cb 0.65 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 2rng h SER 16 CO 0.01 0.05 0.15 0.58 -0.53 0.00 0.00 176.83 177.09 2rng h VAL 17 N 0.01 1.01 0.07 2.23 2.07 -1.94 -2.57 116.25 117.12 2rng h VAL 17 Ca 0.01 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2rng h VAL 17 Cb 0.02 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 2rng h VAL 17 CO -0.00 0.06 -0.45 -0.25 0.02 0.00 0.00 177.57 176.94 2rng h TRP 18 N 0.31 -1.29 -1.01 1.57 2.91 -1.16 -0.26 115.95 117.03 2rng h TRP 18 Ca 0.11 0.04 0.29 0.00 1.13 0.00 0.00 58.89 60.46 2rng h TRP 18 Cb 0.02 0.55 -0.14 0.00 -0.51 0.00 0.00 29.16 29.09 2rng h TRP 18 CO -0.09 -0.53 0.59 0.00 -1.03 0.00 0.00 178.44 177.37 2rng h ALA 19 N -0.22 1.91 0.80 2.65 0.00 -1.15 -0.57 119.26 122.67 2rng h ALA 19 Ca 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2rng h ALA 19 Cb 0.70 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2rng h ALA 19 CO -0.29 -0.46 -0.38 -0.92 0.00 0.00 0.00 179.25 177.20 2rng h TYR 20 N 0.43 -1.00 -0.94 0.00 5.03 -0.66 -2.23 116.97 117.60 2rng h TYR 20 Ca 0.70 -0.02 0.23 0.00 2.58 0.00 0.00 58.73 62.22 2rng h TYR 20 Cb 1.50 0.33 -0.07 0.00 1.55 0.00 0.00 36.73 40.04 2rng h TYR 20 CO -0.01 -0.61 0.63 1.25 -1.32 0.00 0.00 178.16 178.10 2rng h LEU 21 N -1.11 0.32 -0.16 2.82 6.46 -0.48 -0.05 115.31 123.11 2rng h LEU 21 Ca -0.11 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2rng h LEU 21 Cb 0.83 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 2rng h LEU 21 CO 0.18 0.11 0.06 0.58 -0.62 0.00 0.00 178.44 178.75 2rng h VAL 22 N 0.31 1.17 -0.96 1.05 2.07 -0.79 -2.26 116.25 116.85 2rng h VAL 22 Ca 0.49 -0.52 0.12 0.00 0.82 0.00 0.00 66.70 67.61 2rng h VAL 22 Cb 1.38 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 32.29 2rng h VAL 22 CO -0.16 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.17 2rng h ALA 23 N 0.88 1.43 -0.78 1.67 0.00 -0.44 -0.28 119.26 121.74 2rng h ALA 23 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2rng h ALA 23 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2rng h ALA 23 CO -0.00 0.17 0.30 1.25 0.00 0.00 0.00 179.25 180.97 2rng h LEU 24 N 0.92 1.09 0.00 0.00 5.85 -1.13 -3.44 115.31 118.60 2rng h LEU 24 Ca 0.48 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2rng h LEU 24 Cb 0.49 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2rng h LEU 24 CO -0.27 0.97 0.00 0.55 -0.34 0.00 0.00 178.44 179.34 2rng n VAL 25 N -4.27 0.00 0.00 1.05 3.14 -0.21 -5.03 118.33 113.01 2rng n VAL 25 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2rng n VAL 25 Cb 0.19 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 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 1.93 1.18 0.32 7.55 0.00 -0.63 -4.94 105.19 110.60 2rng n GLY 26 Ca 0.00 -0.86 0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 1.03 0.42 4.61 0.00 -1.93 -1.41 119.26 121.99 2rng h ALA 27 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 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 -0.20 0.00 0.00 0.00 0.00 179.25 179.05 2rng h ALA 28 N 1.99 -0.64 0.00 0.00 0.00 -1.98 -0.85 119.26 117.78 2rng h ALA 28 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2rng h ALA 28 Cb 0.15 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2rng h ALA 28 CO 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 179.25 178.51 2rng h ALA 29 N -1.31 1.65 -0.04 0.00 0.00 -1.92 -1.27 119.26 116.38 2rng h ALA 29 Ca -0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2rng h ALA 29 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2rng h ALA 29 CO 0.10 0.17 -0.51 0.28 0.00 0.00 0.00 179.25 179.29 2rng h VAL 30 N 0.00 1.36 0.02 0.00 2.07 -1.25 -2.31 116.25 116.15 2rng h VAL 30 Ca -0.00 -1.75 -0.24 0.00 0.82 0.00 0.00 66.70 65.53 2rng h VAL 30 Cb 0.25 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2rng h VAL 30 CO 0.02 0.51 -1.00 0.74 0.02 0.00 0.00 177.57 177.85 2rng h THR 31 N 0.07 1.40 0.00 2.57 2.02 0.02 -3.18 112.91 115.81 2rng h THR 31 Ca -0.00 -2.52 -0.09 0.00 0.77 0.00 0.00 66.41 64.57 2rng h THR 31 Cb 0.92 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 2rng h THR 31 CO 0.07 0.75 -0.42 0.00 0.37 0.00 0.00 175.52 176.29 2rng h ALA 32 N 0.69 1.04 0.00 6.16 0.00 -1.31 -2.57 119.26 123.27 2rng h ALA 32 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2rng h ALA 32 Cb 1.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2rng h ALA 32 CO 0.17 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.95 2rng n ALA 33 N -2.34 2.51 -3.04 0.00 0.00 -0.88 -4.92 120.51 111.84 2rng n ALA 33 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 2rng n ALA 33 Cb 0.51 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.77 -7.59 -4.09 0.00 2.85 -0.97 -1.45 115.26 103.25 2rng n ASN 34 Ca 0.12 0.11 -0.31 0.00 -0.11 0.00 0.00 54.58 54.39 2rng n ASN 34 Cb 0.05 -4.96 -0.16 0.00 1.24 0.00 0.00 39.78 35.95 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 -2.77 1.82 0.07 -1.44 1.01 -1.23 0.40 121.20 119.05 2rng s ILE 35 Ca 0.12 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2rng s ILE 35 Cb -0.03 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2rng s ILE 35 CO 0.77 0.50 0.19 -0.13 0.00 0.00 0.00 174.94 176.27 2rng s ARG 36 N 1.22 3.33 0.41 2.79 0.52 -0.72 -4.93 118.95 121.57 2rng s ARG 36 Ca 0.01 -0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 54.69 2rng s ARG 36 Cb -0.14 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 2rng s ARG 36 CO -0.08 0.60 0.66 1.03 0.02 0.00 0.00 175.30 177.52 2rng s ARG 37 N -2.53 3.52 0.06 3.54 0.52 -1.25 -0.64 118.95 122.17 2rng s ARG 37 Ca 0.34 -0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.53 2rng s ARG 37 Cb -0.13 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2rng s ARG 37 CO 0.27 -0.01 -0.10 0.00 0.02 0.00 0.00 175.30 175.47 2rng s ALA 38 N -2.50 0.89 0.59 2.13 0.00 0.19 -4.80 121.76 118.26 2rng s ALA 38 Ca 0.44 -0.93 0.33 0.00 0.00 0.00 0.00 51.96 51.79 2rng s ALA 38 Cb -0.10 -0.01 1.25 0.00 0.00 0.00 0.00 23.12 24.26 2rng s ALA 38 CO 0.40 0.04 1.51 1.03 0.00 0.00 0.00 175.76 178.74 2rng h SER 39 N 4.23 0.00 -1.15 0.00 0.87 -1.89 -3.25 113.55 112.36 2rng h SER 39 Ca -0.38 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.28 2rng h SER 39 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2rng h SER 39 CO 0.43 0.00 0.28 -1.20 -0.53 0.00 0.00 176.83 175.82 2rng n SER 40 N -3.55 -0.58 0.25 6.23 7.64 -1.26 -4.72 113.62 117.63 2rng n SER 40 Ca 0.25 -1.24 0.15 0.00 1.01 0.00 0.00 58.87 59.05 2rng n SER 40 Cb 1.46 0.92 0.80 0.00 -1.01 0.00 0.00 64.21 66.39 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 0.77 0.00 -2.64 6.43 5.19 -1.84 -3.34 116.42 121.00 2rng h ASP 41 Ca -0.09 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.66 2rng h ASP 41 Cb 0.46 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.81 2rng h ASP 41 CO 0.13 0.00 0.54 0.21 -3.12 0.00 0.00 179.24 177.00 2rng s ASN 42 N -4.37 6.26 0.30 6.45 3.04 -1.26 -4.62 114.94 120.73 2rng s ASN 42 Ca -0.03 -1.25 0.02 0.00 0.04 0.00 0.00 52.86 51.64 2rng s ASN 42 Cb 0.08 -2.40 -0.02 0.00 -1.54 0.00 0.00 41.25 37.37 2rng s ASN 42 CO 0.27 -1.33 0.30 -1.38 -3.04 0.00 0.00 177.10 171.92 2rng s HIS 43 N 3.62 1.39 -0.01 0.43 -3.43 -1.26 -4.77 115.29 111.27 2rng s HIS 43 Ca 0.23 -1.47 -0.28 0.00 -0.80 0.00 0.00 55.06 52.74 2rng s HIS 43 Cb -0.16 -0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 30.47 2rng s HIS 43 CO 0.06 -0.89 0.90 -1.54 -2.00 0.00 0.00 174.74 171.27 2rng s SER 44 N -3.28 7.28 0.45 7.38 1.04 -1.26 -0.92 113.70 124.38 2rng s SER 44 Ca 0.37 1.54 0.04 0.00 0.48 0.00 0.00 55.95 58.38 2rng s SER 44 Cb 0.03 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 2rng s SER 44 CO 0.21 -0.20 0.02 0.00 0.98 0.00 0.00 173.24 174.26 2rng n ALA 46 N -1.07 -1.73 -0.95 0.00 0.00 -1.26 -2.50 120.51 113.00 2rng n ALA 46 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2rng n ALA 46 Cb 0.67 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.78 0.93 1.75 0.00 0.00 -1.26 -2.18 105.19 102.65 2rng n GLY 47 Ca -0.17 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.79 5.98 -0.05 1.61 4.13 -1.26 -3.97 115.26 118.91 2rng n ASN 48 Ca 0.00 -2.79 -0.06 0.00 1.68 0.00 0.00 54.58 53.41 2rng n ASN 48 Cb 0.00 -1.10 -0.05 0.00 -1.54 0.00 0.00 39.78 37.09 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 0.89 0.59 -4.48 3.52 1.74 -0.93 -5.06 116.66 112.92 2rng n ARG 49 Ca 0.18 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 57.09 2rng n ARG 49 Cb 0.55 -1.20 -0.11 0.00 -1.02 0.00 0.00 32.46 30.69 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 -4.81 2.11 0.27 -0.13 0.00 -1.04 -4.50 107.32 99.22 2rng s GLY 50 Ca -0.12 -2.08 0.02 0.00 0.00 0.00 0.00 44.72 42.54 2rng s GLY 50 CO 0.24 -1.87 0.13 -0.98 0.00 0.00 0.00 173.10 170.62 2rng s TRP 51 N -3.13 1.50 -0.35 1.90 0.52 -0.85 -1.97 118.94 116.56 2rng s TRP 51 Ca 0.35 -1.31 -0.10 0.00 0.02 0.00 0.00 56.10 55.05 2rng s TRP 51 Cb 0.08 -0.82 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 2rng s TRP 51 CO 0.15 -0.48 0.18 0.00 0.02 0.00 0.00 176.95 176.82 2rng s ARG 53 N 1.58 1.20 0.21 0.00 0.52 -0.58 -4.41 118.95 117.47 2rng s ARG 53 Ca 0.03 -0.68 -0.09 0.00 -0.52 0.00 0.00 55.73 54.47 2rng s ARG 53 Cb -0.18 -1.20 0.32 0.00 0.52 0.00 0.00 34.95 34.41 2rng s ARG 53 CO 0.06 0.32 1.71 0.66 0.02 0.00 0.00 175.30 178.07 2rng h SER 54 N 5.37 0.05 -5.07 0.23 4.64 -1.92 -1.90 113.55 114.94 2rng h SER 54 Ca -0.37 0.11 -0.42 0.00 -0.47 0.00 0.00 61.79 60.63 2rng h SER 54 Cb 1.16 0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 63.25 2rng h SER 54 CO 0.46 0.03 -0.54 -0.75 -0.87 0.00 0.00 176.83 175.16 2rng s LYS 55 N -6.10 1.62 0.26 4.77 2.20 -1.26 -4.30 119.74 116.94 2rng s LYS 55 Ca -0.13 -1.93 -0.14 0.00 -0.36 0.00 0.00 55.97 53.41 2rng s LYS 55 Cb 0.18 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2rng s LYS 55 CO 0.74 -0.51 0.54 0.00 -0.36 0.00 0.00 175.35 175.77 2rng s PHE 57 N -3.89 1.64 -0.01 0.00 0.08 -1.26 -5.00 117.98 109.53 2rng s PHE 57 Ca 0.20 0.35 -0.19 0.00 0.12 0.00 0.00 56.93 57.40 2rng s PHE 57 Cb -0.02 -4.07 -0.32 0.00 -0.57 0.00 0.00 43.02 38.03 2rng s PHE 57 CO 0.09 -2.64 0.96 -0.09 -0.10 0.00 0.00 175.22 173.44 2rng h ARG 58 N -1.64 0.41 -0.25 0.44 2.43 -2.02 -3.18 114.38 110.58 2rng h ARG 58 Ca -0.45 -0.68 0.07 0.00 -0.81 0.00 0.00 59.98 58.12 2rng h ARG 58 Cb 1.24 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 2rng h ARG 58 CO 0.39 1.32 0.62 1.25 -1.51 0.00 0.00 179.97 182.04 2rng h HIS 59 N -0.14 0.00 -4.95 2.20 2.76 -2.00 -3.40 115.15 109.63 2rng h HIS 59 Ca -0.18 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.64 2rng h HIS 59 Cb 1.83 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.74 2rng h HIS 59 CO 0.17 0.00 -0.20 0.39 -1.30 0.00 0.00 177.93 176.99 2rng n GLU 60 N -3.07 1.09 -0.66 5.26 1.02 -1.20 -4.72 120.64 118.37 2rng n GLU 60 Ca 0.04 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.12 2rng n GLU 60 Cb 0.73 0.32 0.00 0.00 -0.02 0.00 0.00 31.44 32.47 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 -1.11 -0.15 -3.81 -0.32 4.11 -1.07 -4.82 117.16 110.00 2rng n TYR 61 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.55 2rng n TYR 61 Cb 0.37 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.56 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 -1.99 1.31 -0.87 -3.48 1.01 -1.26 -2.10 120.40 113.02 2rng s VAL 62 Ca 0.00 -1.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.01 2rng s VAL 62 Cb 0.00 -1.98 -0.23 0.00 0.00 0.00 0.00 36.38 34.17 2rng s VAL 62 CO 0.00 -0.69 2.24 -0.90 0.00 0.00 0.00 175.10 175.76 2rng n ASP 63 N 4.52 0.16 -0.31 3.32 5.68 -0.30 -4.65 116.55 124.97 2rng n ASP 63 Ca 0.01 -1.09 0.34 0.00 -0.50 0.00 0.00 54.79 53.55 2rng n ASP 63 Cb 0.41 -1.11 0.58 0.00 -1.14 0.00 0.00 41.12 39.86 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 7.32 0.07 -0.01 2.12 1.35 -1.96 0.31 112.91 122.11 2rng h THR 64 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2rng h THR 64 Cb 1.06 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2rng h THR 64 CO 1.29 0.00 0.00 0.22 -0.25 0.00 0.00 175.52 176.78 2rng h TYR 65 N 0.00 0.03 -0.01 4.73 5.03 -1.95 -3.07 116.97 121.73 2rng h TYR 65 Ca 0.57 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.88 2rng h TYR 65 Cb 2.89 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 41.16 2rng h TYR 65 CO 0.00 0.30 -0.10 0.66 -1.32 0.00 0.00 178.16 177.69 2rng n TYR 66 N -4.94 0.00 0.25 -3.82 4.01 0.10 -3.87 117.16 108.89 2rng n TYR 66 Ca -0.08 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.80 2rng n TYR 66 Cb 0.16 -0.10 0.71 0.00 -0.31 0.00 0.00 39.34 39.80 2rng n TYR 66 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rng h SER 67 N 1.07 0.00 0.31 7.72 0.87 -1.24 -2.36 113.55 119.92 2rng h SER 67 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2rng h SER 67 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2rng h SER 67 CO 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 176.83 176.15 2rng h ALA 68 N 1.59 -0.42 0.00 6.23 0.00 -1.77 -2.71 119.26 122.19 2rng h ALA 68 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2rng h ALA 68 Cb 0.35 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2rng h ALA 68 CO 0.00 -0.46 -0.04 -0.24 0.00 0.00 0.00 179.25 178.50 2rng h VAL 69 N -0.96 0.81 -0.07 0.00 3.04 -1.73 -2.38 116.25 114.96 2rng h VAL 69 Ca -0.04 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 2rng h VAL 69 Cb 0.50 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2rng h VAL 69 CO 0.07 0.04 0.02 0.00 -1.01 0.00 0.00 177.57 176.69 2rng n GLY 71 N -0.49 0.58 0.49 0.00 0.00 -0.90 -3.83 105.19 101.05 2rng n GLY 71 Ca -0.06 -1.11 0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 0.09 0.00 1.61 -0.00 -1.92 -3.40 114.38 110.76 2rng h ARG 72 Ca 0.00 -0.01 -0.36 0.00 -0.50 0.00 0.00 59.98 59.11 2rng h ARG 72 Cb 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 29.97 30.04 2rng h ARG 72 CO 0.00 0.06 0.18 0.66 0.00 0.00 0.00 179.97 180.87 2rng n TYR 73 N -4.30 -3.38 -4.86 3.04 4.02 -1.25 -4.95 117.16 105.49 2rng n TYR 73 Ca 0.25 -1.25 -0.26 0.00 -0.01 0.00 0.00 57.90 56.63 2rng n TYR 73 Cb 1.12 -0.67 -0.16 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.76 1.71 -0.80 -0.72 0.08 -0.72 -4.73 117.98 110.05 2rng s PHE 74 Ca 0.56 -0.45 -0.26 0.00 0.12 0.00 0.00 56.93 56.90 2rng s PHE 74 Cb -0.02 -1.14 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 2rng s PHE 74 CO 0.38 -0.13 1.35 0.00 -0.10 0.00 0.00 175.22 176.72 2rng s ARG 77 N -5.39 1.98 -0.41 0.00 0.52 -0.89 -2.01 118.95 112.75 2rng s ARG 77 Ca 0.60 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 2rng s ARG 77 Cb -0.12 0.59 0.08 0.00 0.52 0.00 0.00 34.95 36.02 2rng s ARG 77 CO 0.51 -0.92 0.23 -1.54 0.02 0.00 0.00 175.30 173.61 2rng s SER 78 N -3.06 5.54 0.00 0.23 1.04 -1.26 -2.60 113.70 113.59 2rng s SER 78 Ca 0.15 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.02 2rng s SER 78 Cb -0.05 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2rng s SER 78 CO 0.09 -0.52 0.46 -1.14 0.98 0.00 0.00 173.24 173.11