#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rng n PRO 2 N 0.00 -1.50 -1.27 1.20 -0.04 -1.26 -5.10 135.00 127.03 2rng n PRO 2 Ca 0.00 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2rng n PRO 2 Cb 0.00 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2rng n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2rng n LEU 3 N 0.00 0.00 -4.77 1.53 4.77 -1.26 -5.13 117.00 112.14 2rng n LEU 3 Ca 0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.68 2rng n LEU 3 Cb 0.27 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2rng n LEU 3 CO 0.19 0.00 0.79 -0.63 -1.33 0.00 0.00 177.39 176.41 2rng s ILE 4 N -1.24 3.38 0.71 -0.08 -1.09 -1.26 -5.02 121.20 116.60 2rng s ILE 4 Ca 0.00 1.09 -0.11 0.00 -2.23 0.00 0.00 60.65 59.40 2rng s ILE 4 Cb 0.00 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2rng s ILE 4 CO 0.00 0.05 1.08 -2.16 -1.23 0.00 0.00 174.94 172.68 2rng s PRO 5 N -2.43 2.81 0.32 2.79 0.04 -1.26 -4.98 135.00 132.29 2rng s PRO 5 Ca 0.58 0.58 0.22 0.00 0.04 0.00 0.00 61.00 62.42 2rng s PRO 5 Cb -0.27 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.44 2rng s PRO 5 CO 0.33 -1.10 1.36 0.00 0.04 0.00 0.00 177.00 177.63 2rng h ALA 6 N -0.70 0.78 0.05 8.56 0.00 -1.95 -3.37 119.26 122.62 2rng h ALA 6 Ca -0.45 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.39 2rng h ALA 6 Cb 1.24 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2rng h ALA 6 CO 0.62 0.12 -0.43 0.97 0.00 0.00 0.00 179.25 180.53 2rng h ILE 7 N 0.00 0.15 -0.87 0.00 6.09 -1.94 0.44 117.51 121.38 2rng h ILE 7 Ca -0.01 0.00 0.25 0.00 -1.37 0.00 0.00 64.86 63.73 2rng h ILE 7 Cb 1.07 0.15 -0.03 0.00 0.47 0.00 0.00 36.82 38.47 2rng h ILE 7 CO 0.01 0.00 0.79 1.88 -3.07 0.00 0.00 178.15 177.76 2rng h TYR 8 N -0.61 0.00 -2.96 2.19 0.05 -1.92 -3.30 116.97 110.42 2rng h TYR 8 Ca 0.03 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.28 2rng h TYR 8 Cb 0.67 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.43 2rng h TYR 8 CO -0.41 0.00 0.76 0.42 -1.05 0.00 0.00 178.16 177.89 2rng s ILE 9 N -4.70 3.36 -1.54 -2.88 1.01 0.14 -2.07 121.20 114.52 2rng s ILE 9 Ca -0.04 0.94 -0.02 0.00 0.00 0.00 0.00 60.65 61.52 2rng s ILE 9 Cb 0.18 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 39.06 2rng s ILE 9 CO 0.63 0.05 0.23 0.61 0.00 0.00 0.00 174.94 176.46 2rng n GLY 10 N 3.56 -0.51 0.00 6.18 0.00 0.20 -4.95 105.19 109.68 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 -2.66 0.00 -3.31 4.61 0.00 -0.88 -4.93 120.51 113.34 2rng n ALA 11 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2rng n ALA 11 Cb 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.03 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 0.33 -0.57 0.00 0.00 2.01 -1.26 -1.34 115.64 114.81 2rng s THR 12 Ca 0.00 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2rng s THR 12 Cb 0.00 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.82 2rng s THR 12 CO 0.00 -0.36 0.00 1.33 -0.69 0.00 0.00 174.62 174.90 2rng n VAL 13 N 4.75 0.00 -2.36 3.82 0.24 0.68 -4.74 118.33 120.72 2rng n VAL 13 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2rng n VAL 13 Cb 0.49 -1.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 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 3.05 0.13 7.63 0.00 -1.24 0.23 105.19 119.99 2rng n GLY 14 Ca 0.00 -2.05 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 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 0.34 -0.05 1.61 0.13 -1.75 -1.89 132.00 130.40 2rng h PRO 15 Ca 0.00 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2rng h PRO 15 Cb 0.00 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 2rng h PRO 15 CO 0.00 0.96 0.00 0.66 -0.23 0.00 0.00 178.00 179.39 2rng h SER 16 N -0.18 0.07 -0.17 1.44 4.64 -1.92 -2.70 113.55 114.74 2rng h SER 16 Ca -0.03 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 2rng h SER 16 Cb 1.05 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2rng h SER 16 CO 0.08 0.34 0.08 0.58 -0.87 0.00 0.00 176.83 177.04 2rng h VAL 17 N -0.19 1.00 -0.07 0.95 2.07 -1.92 -2.40 116.25 115.70 2rng h VAL 17 Ca 0.01 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2rng h VAL 17 Cb 0.30 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2rng h VAL 17 CO 0.00 0.03 -0.24 -0.25 0.02 0.00 0.00 177.57 177.14 2rng h TRP 18 N 0.18 -0.71 -1.22 1.57 2.91 -1.30 0.14 115.95 117.52 2rng h TRP 18 Ca 0.07 0.03 0.35 0.00 1.13 0.00 0.00 58.89 60.46 2rng h TRP 18 Cb 0.01 0.32 -0.08 0.00 -0.51 0.00 0.00 29.16 28.90 2rng h TRP 18 CO -0.09 -0.24 0.84 0.00 -1.03 0.00 0.00 178.44 177.92 2rng h ALA 19 N -0.93 2.81 -0.26 2.65 0.00 -1.41 -1.46 119.26 120.66 2rng h ALA 19 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rng h ALA 19 Cb 0.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2rng h ALA 19 CO -0.20 -1.24 0.00 0.98 0.00 0.00 0.00 179.25 178.79 2rng n TYR 20 N -4.40 0.00 -0.54 0.00 4.19 0.37 -2.50 117.16 114.28 2rng n TYR 20 Ca 0.29 0.00 0.45 0.00 3.31 0.00 0.00 57.90 61.95 2rng n TYR 20 Cb 1.21 -0.46 0.79 0.00 0.49 0.00 0.00 39.34 41.37 2rng n TYR 20 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2rng h LEU 21 N 0.00 0.01 0.65 2.98 6.46 -0.78 0.12 115.31 124.75 2rng h LEU 21 Ca 0.00 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2rng h LEU 21 Cb 0.00 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2rng h LEU 21 CO 0.00 -0.01 -0.31 0.58 -0.62 0.00 0.00 178.44 178.08 2rng h VAL 22 N 0.01 0.27 -0.77 1.05 2.07 -1.21 -2.24 116.25 115.43 2rng h VAL 22 Ca 0.78 -0.22 0.20 0.00 0.82 0.00 0.00 66.70 68.28 2rng h VAL 22 Cb 3.09 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 2rng h VAL 22 CO -0.02 0.02 0.54 0.00 0.02 0.00 0.00 177.57 178.13 2rng h ALA 23 N -0.81 2.52 0.12 1.67 0.00 -0.47 2.10 119.26 124.40 2rng h ALA 23 Ca -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2rng h ALA 23 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2rng h ALA 23 CO 0.15 -0.74 -0.06 1.25 0.00 0.00 0.00 179.25 179.85 2rng h LEU 24 N 0.14 -0.14 0.00 0.00 5.85 -1.08 -3.41 115.31 116.66 2rng h LEU 24 Ca 0.37 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 2rng h LEU 24 Cb 1.28 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 2rng h LEU 24 CO -0.05 0.18 -1.39 1.33 -0.34 0.00 0.00 178.44 178.16 2rng n VAL 25 N -5.02 0.38 0.00 1.05 0.24 -0.59 -5.13 118.33 109.27 2rng n VAL 25 Ca -0.09 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2rng n VAL 25 Cb 0.20 -1.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 2rng n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rng n GLY 26 N 2.62 3.53 0.09 7.63 0.00 0.70 -4.88 105.19 114.88 2rng n GLY 26 Ca -0.14 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 0.05 -0.49 4.61 0.00 -1.91 -2.02 119.26 119.50 2rng h ALA 27 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.60 2rng h ALA 27 Cb 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2rng h ALA 27 CO 0.00 -0.02 0.17 0.00 0.00 0.00 0.00 179.25 179.40 2rng h ALA 28 N 0.37 0.59 0.20 0.00 0.00 -1.96 -0.87 119.26 117.59 2rng h ALA 28 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2rng h ALA 28 Cb 0.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2rng h ALA 28 CO 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 179.25 178.96 2rng h ALA 29 N 1.33 -0.27 -1.00 0.00 0.00 -1.90 -1.59 119.26 115.83 2rng h ALA 29 Ca 0.23 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.34 2rng h ALA 29 Cb 0.25 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2rng h ALA 29 CO -0.24 -0.62 0.70 0.28 0.00 0.00 0.00 179.25 179.37 2rng h VAL 30 N -0.34 0.52 -0.28 0.00 2.07 -0.76 0.23 116.25 117.69 2rng h VAL 30 Ca -0.03 -0.04 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 2rng h VAL 30 Cb 0.26 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2rng h VAL 30 CO 0.05 0.02 -0.40 0.74 0.02 0.00 0.00 177.57 178.00 2rng h THR 31 N 0.11 1.30 0.00 2.57 2.02 -0.20 -2.92 112.91 115.78 2rng h THR 31 Ca 0.49 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 2rng h THR 31 Cb 1.77 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 2rng h THR 31 CO -0.07 0.51 -0.09 0.00 0.37 0.00 0.00 175.52 176.25 2rng h ALA 32 N 0.68 1.04 0.00 6.16 0.00 -0.10 -2.24 119.26 124.81 2rng h ALA 32 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2rng h ALA 32 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2rng h ALA 32 CO 0.09 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2rng n ALA 33 N -2.16 2.54 -3.11 0.00 0.00 -0.59 -4.91 120.51 112.28 2rng n ALA 33 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 2rng n ALA 33 Cb 0.32 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.75 -7.56 -4.28 0.00 4.05 -0.84 -1.48 115.26 104.39 2rng n ASN 34 Ca 0.11 -0.17 -0.32 0.00 0.45 0.00 0.00 54.58 54.66 2rng n ASN 34 Cb 0.05 -5.13 -0.16 0.00 1.23 0.00 0.00 39.78 35.77 2rng n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2rng s ILE 35 N -3.04 2.16 0.03 -1.44 1.01 -1.24 0.63 121.20 119.31 2rng s ILE 35 Ca 0.04 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2rng s ILE 35 Cb -0.01 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2rng s ILE 35 CO 0.76 0.57 -0.02 -0.13 0.00 0.00 0.00 174.94 176.11 2rng s ARG 36 N -0.10 2.65 0.01 2.79 1.81 -0.45 -4.93 118.95 120.73 2rng s ARG 36 Ca -0.05 -0.71 -0.11 0.00 -1.72 0.00 0.00 55.73 53.14 2rng s ARG 36 Cb -0.14 -2.58 -0.05 0.00 -0.45 0.00 0.00 34.95 31.72 2rng s ARG 36 CO 0.04 0.59 0.35 1.03 -0.68 0.00 0.00 175.30 176.63 2rng s ARG 37 N -1.73 3.75 0.22 3.54 0.52 -1.26 -0.23 118.95 123.76 2rng s ARG 37 Ca 0.20 0.18 0.11 0.00 -0.52 0.00 0.00 55.73 55.71 2rng s ARG 37 Cb -0.11 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 2rng s ARG 37 CO 0.12 0.66 -0.18 0.00 0.02 0.00 0.00 175.30 175.91 2rng s ALA 38 N -1.21 2.72 0.59 2.13 0.00 0.14 -4.91 121.76 121.22 2rng s ALA 38 Ca 0.26 -1.69 0.35 0.00 0.00 0.00 0.00 51.96 50.88 2rng s ALA 38 Cb -0.15 -0.41 1.28 0.00 0.00 0.00 0.00 23.12 23.84 2rng s ALA 38 CO 0.14 0.37 1.49 1.03 0.00 0.00 0.00 175.76 178.80 2rng h SER 39 N 2.75 0.00 -0.88 0.00 0.87 -1.88 -3.23 113.55 111.18 2rng h SER 39 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2rng h SER 39 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2rng h SER 39 CO 0.54 0.00 0.03 -1.20 -0.53 0.00 0.00 176.83 175.67 2rng n SER 40 N -3.58 -0.12 0.00 6.23 7.64 -1.26 -4.69 113.62 117.84 2rng n SER 40 Ca 0.28 -1.07 0.05 0.00 1.01 0.00 0.00 58.87 59.13 2rng n SER 40 Cb 1.56 0.19 0.21 0.00 -1.01 0.00 0.00 64.21 65.16 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 -0.80 0.00 -4.42 6.43 9.92 -1.26 -3.70 116.55 122.73 2rng n ASP 41 Ca -0.00 0.37 -0.44 0.00 -0.53 0.00 0.00 54.79 54.18 2rng n ASP 41 Cb 0.03 -0.42 -0.07 0.00 -0.64 0.00 0.00 41.12 40.03 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 -2.84 6.19 0.23 -2.24 3.84 -1.26 -4.56 114.94 114.31 2rng s ASN 42 Ca 0.06 -1.12 0.03 0.00 0.21 0.00 0.00 52.86 52.04 2rng s ASN 42 Cb 0.06 -2.25 -0.01 0.00 -0.55 0.00 0.00 41.25 38.50 2rng s ASN 42 CO 0.16 -0.81 0.25 0.00 -2.79 0.00 0.00 177.10 173.90 2rng n HIS 43 N 5.80 -0.78 -3.68 0.43 1.44 -1.26 -4.78 115.22 112.39 2rng n HIS 43 Ca -0.09 -1.80 -0.33 0.00 -2.01 0.00 0.00 57.72 53.49 2rng n HIS 43 Cb 0.44 0.27 -0.05 0.00 0.12 0.00 0.00 29.99 30.78 2rng n HIS 43 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2rng s SER 44 N -2.55 6.53 0.29 4.39 1.04 -1.26 -0.15 113.70 121.98 2rng s SER 44 Ca 0.24 0.62 0.05 0.00 0.48 0.00 0.00 55.95 57.35 2rng s SER 44 Cb 0.01 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 2rng s SER 44 CO 0.17 0.16 0.18 0.00 0.98 0.00 0.00 173.24 174.73 2rng n ALA 46 N -1.28 -1.17 -0.10 0.00 0.00 -1.26 -2.56 120.51 114.13 2rng n ALA 46 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2rng n ALA 46 Cb 0.48 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 -1.26 -1.13 1.90 0.00 0.00 -1.26 -3.64 105.19 99.80 2rng n GLY 47 Ca 0.04 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.19 5.81 -0.00 1.61 3.02 -1.26 -3.93 115.26 120.31 2rng n ASN 48 Ca 0.00 -2.74 -0.01 0.00 -0.03 0.00 0.00 54.58 51.81 2rng n ASN 48 Cb 0.00 -1.20 -0.01 0.00 -0.61 0.00 0.00 39.78 37.96 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2rng n ARG 49 N 1.34 2.09 -4.35 3.52 1.74 -1.24 -5.07 116.66 114.69 2rng n ARG 49 Ca 0.27 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.11 2rng n ARG 49 Cb 0.63 -1.02 -0.09 0.00 -1.02 0.00 0.00 32.46 30.97 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 -3.57 2.01 0.27 -0.13 0.00 -1.06 -4.61 107.32 100.24 2rng s GLY 50 Ca -0.01 -1.93 0.02 0.00 0.00 0.00 0.00 44.72 42.81 2rng s GLY 50 CO 0.03 -1.89 0.17 -0.98 0.00 0.00 0.00 173.10 170.43 2rng s TRP 51 N -2.50 1.49 -0.22 1.90 0.23 -0.67 -1.90 118.94 117.27 2rng s TRP 51 Ca 0.34 -1.41 -0.01 0.00 -2.03 0.00 0.00 56.10 52.99 2rng s TRP 51 Cb -0.01 -0.75 0.02 0.00 0.03 0.00 0.00 33.47 32.76 2rng s TRP 51 CO 0.19 -0.60 -0.10 0.00 0.96 0.00 0.00 176.95 177.39 2rng s ARG 53 N 1.35 0.91 0.25 0.00 3.00 -0.80 -4.35 118.95 119.31 2rng s ARG 53 Ca 0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 55.73 54.39 2rng s ARG 53 Cb -0.15 -0.41 0.51 0.00 0.00 0.00 0.00 34.95 34.90 2rng s ARG 53 CO -0.07 0.03 1.69 1.03 0.00 0.00 0.00 175.30 177.98 2rng h SER 54 N 3.03 0.09 -5.33 0.23 0.87 -1.93 -1.86 113.55 108.65 2rng h SER 54 Ca -0.36 0.15 -0.43 0.00 -1.23 0.00 0.00 61.79 59.91 2rng h SER 54 Cb 1.18 0.18 -0.14 0.00 -0.44 0.00 0.00 62.40 63.18 2rng h SER 54 CO 0.62 -0.02 -0.53 -0.75 -0.53 0.00 0.00 176.83 175.62 2rng s LYS 55 N -6.02 1.66 0.41 2.24 2.20 -1.26 -4.17 119.74 114.80 2rng s LYS 55 Ca -0.12 -1.96 0.05 0.00 -0.36 0.00 0.00 55.97 53.58 2rng s LYS 55 Cb 0.22 0.14 -0.06 0.00 -1.51 0.00 0.00 37.83 36.61 2rng s LYS 55 CO 0.76 -0.55 0.03 0.00 -0.36 0.00 0.00 175.35 175.22 2rng n PHE 57 N -0.96 -3.54 0.01 0.00 3.72 -1.26 -4.98 117.46 110.45 2rng n PHE 57 Ca -0.07 -1.27 -0.18 0.00 -0.05 0.00 0.00 57.45 55.88 2rng n PHE 57 Cb 0.67 -0.79 -0.11 0.00 -0.94 0.00 0.00 39.48 38.31 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 0.42 0.00 -1.08 1.12 -2.01 -3.05 114.38 109.79 2rng h ARG 58 Ca -0.34 -0.46 0.00 0.00 -1.11 0.00 0.00 59.98 58.07 2rng h ARG 58 Cb 1.06 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 2rng h ARG 58 CO 0.29 1.12 0.00 0.72 -3.11 0.00 0.00 179.97 178.99 2rng n HIS 59 N -4.19 0.00 -4.65 2.20 8.25 -1.26 -4.72 115.22 110.85 2rng n HIS 59 Ca -0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 2rng n HIS 59 Cb 0.69 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 31.51 2rng n HIS 59 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2rng s GLU 60 N -2.41 2.05 0.00 -0.41 2.02 -1.15 -4.58 118.70 114.22 2rng s GLU 60 Ca 0.13 -2.26 0.00 0.00 0.02 0.00 0.00 54.97 52.85 2rng s GLU 60 Cb 0.08 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 33.07 2rng s GLU 60 CO 0.16 -0.34 0.00 2.48 0.02 0.00 0.00 175.26 177.59 2rng n TYR 61 N -1.08 0.00 -3.91 1.61 4.11 -1.02 -4.61 117.16 112.26 2rng n TYR 61 Ca -0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.47 2rng n TYR 61 Cb 0.66 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.85 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 -1.02 1.64 -0.84 -3.48 1.01 -1.26 -2.14 120.40 114.31 2rng s VAL 62 Ca 0.00 -1.72 -0.20 0.00 0.00 0.00 0.00 61.98 60.06 2rng s VAL 62 Cb 0.00 -2.11 -0.20 0.00 0.00 0.00 0.00 36.38 34.07 2rng s VAL 62 CO 0.00 -0.47 2.25 -0.90 0.00 0.00 0.00 175.10 175.98 2rng n ASP 63 N 4.56 0.66 -0.08 3.32 5.68 -0.69 -4.67 116.55 125.32 2rng n ASP 63 Ca -0.03 -1.33 0.25 0.00 -0.50 0.00 0.00 54.79 53.18 2rng n ASP 63 Cb 0.43 -1.31 0.57 0.00 -1.14 0.00 0.00 41.12 39.67 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 7.37 0.15 -0.04 2.12 1.35 -1.96 0.18 112.91 122.08 2rng h THR 64 Ca 0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.81 2rng h THR 64 Cb 1.04 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2rng h THR 64 CO 1.18 0.00 -0.20 0.22 -0.25 0.00 0.00 175.52 176.46 2rng h TYR 65 N 0.00 0.28 -0.00 4.73 3.20 -1.97 -3.24 116.97 119.97 2rng h TYR 65 Ca 0.37 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2rng h TYR 65 Cb 2.15 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 40.38 2rng h TYR 65 CO 0.00 0.84 -0.19 0.66 -1.64 0.00 0.00 178.16 177.84 2rng n TYR 66 N -4.55 0.00 0.16 -3.82 4.02 0.44 -3.81 117.16 109.61 2rng n TYR 66 Ca -0.09 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.98 2rng n TYR 66 Cb 0.44 -0.27 0.64 0.00 -0.02 0.00 0.00 39.34 40.13 2rng n TYR 66 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2rng h SER 67 N 0.34 0.00 0.18 7.72 4.64 -1.03 -2.09 113.55 123.31 2rng h SER 67 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2rng h SER 67 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2rng h SER 67 CO 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.87 2rng h ALA 68 N 1.12 -0.52 -1.51 5.18 0.00 -1.79 -2.81 119.26 118.94 2rng h ALA 68 Ca 0.15 -0.05 0.44 0.00 0.00 0.00 0.00 54.91 55.45 2rng h ALA 68 Cb 1.32 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 2rng h ALA 68 CO -0.00 -0.50 1.07 -0.24 0.00 0.00 0.00 179.25 179.58 2rng h VAL 69 N -0.45 0.22 0.18 0.00 3.04 -1.67 -1.14 116.25 116.42 2rng h VAL 69 Ca -0.02 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 2rng h VAL 69 Cb 0.18 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 29.65 2rng h VAL 69 CO 0.04 0.01 -0.08 0.00 -1.01 0.00 0.00 177.57 176.52 2rng n GLY 71 N -0.54 0.68 0.32 0.00 0.00 -0.43 -4.44 105.19 100.77 2rng n GLY 71 Ca -0.03 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 0.26 -6.90 1.61 3.08 -1.90 -3.42 114.38 107.11 2rng h ARG 72 Ca 0.00 -0.02 -0.46 0.00 0.07 0.00 0.00 59.98 59.58 2rng h ARG 72 Cb 0.00 -0.06 0.06 0.00 0.08 0.00 0.00 29.97 30.05 2rng h ARG 72 CO 0.00 0.17 -0.00 0.71 -1.07 0.00 0.00 179.97 179.78 2rng s TYR 73 N -5.27 2.02 -0.10 3.04 2.02 -1.26 -4.96 117.35 112.85 2rng s TYR 73 Ca -0.07 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 2rng s TYR 73 Cb 0.18 -2.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.00 2rng s TYR 73 CO 0.72 -1.27 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.21 2rng s PHE 74 N -2.88 2.69 -0.66 2.71 0.08 -0.70 -4.71 117.98 114.50 2rng s PHE 74 Ca 0.62 -0.59 -0.27 0.00 0.12 0.00 0.00 56.93 56.81 2rng s PHE 74 Cb -0.07 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.67 2rng s PHE 74 CO 0.41 -0.14 1.29 0.00 -0.10 0.00 0.00 175.22 176.67 2rng n ARG 77 N -2.91 0.00 -3.79 0.00 1.74 -0.91 -1.67 116.66 109.12 2rng n ARG 77 Ca 0.07 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.78 2rng n ARG 77 Cb 0.55 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.86 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 -0.92 5.02 0.00 0.55 0.15 -1.26 -2.43 113.70 114.81 2rng s SER 78 Ca 0.00 -0.72 0.19 0.00 0.70 0.00 0.00 55.95 56.11 2rng s SER 78 Cb 0.00 -1.85 1.11 0.00 -1.71 0.00 0.00 66.02 63.57 2rng s SER 78 CO 0.00 -0.18 1.50 -1.14 1.20 0.00 0.00 173.24 174.62