#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 2.65 0.85 3.52 0.04 -1.26 -5.05 135.00 135.75 2rng s PRO 2 Ca 0.00 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 61.88 2rng s PRO 2 Cb 0.00 -1.96 0.20 0.00 0.04 0.00 0.00 34.50 32.79 2rng s PRO 2 CO 0.00 -1.31 0.90 1.28 0.04 0.00 0.00 177.00 177.91 2rng n LEU 3 N -3.28 0.00 -4.54 -3.56 4.77 -1.26 -4.97 117.00 104.17 2rng n LEU 3 Ca 0.08 -0.97 -0.34 0.00 -0.03 0.00 0.00 56.01 54.75 2rng n LEU 3 Cb 0.54 -0.76 0.11 0.00 -2.33 0.00 0.00 43.42 40.97 2rng n LEU 3 CO 0.55 -1.60 0.30 -0.38 -1.33 0.00 0.00 177.39 174.93 2rng n ILE 4 N -3.91 1.31 -1.70 -0.08 5.41 -1.26 -4.97 119.36 114.15 2rng n ILE 4 Ca 0.12 -0.25 -0.29 0.00 1.00 0.00 0.00 62.75 63.33 2rng n ILE 4 Cb 0.44 -0.88 0.11 0.00 -0.71 0.00 0.00 39.64 38.60 2rng n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2rng s PRO 5 N -3.58 1.58 0.14 0.38 0.04 -1.26 -4.99 135.00 127.31 2rng s PRO 5 Ca 0.66 0.23 0.19 0.00 0.04 0.00 0.00 61.00 62.12 2rng s PRO 5 Cb -0.28 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2rng s PRO 5 CO 0.58 -1.89 0.98 0.00 0.04 0.00 0.00 177.00 176.71 2rng h ALA 6 N -1.27 0.62 0.16 8.56 0.00 -1.95 -3.38 119.26 121.99 2rng h ALA 6 Ca -0.48 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 53.94 2rng h ALA 6 Cb 1.33 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2rng h ALA 6 CO 0.64 0.56 -0.40 0.97 0.00 0.00 0.00 179.25 181.02 2rng h ILE 7 N 0.00 0.19 -0.63 0.00 6.09 -1.94 0.16 117.51 121.39 2rng h ILE 7 Ca -0.09 0.00 0.18 0.00 -1.37 0.00 0.00 64.86 63.58 2rng h ILE 7 Cb 1.35 0.19 -0.03 0.00 0.47 0.00 0.00 36.82 38.81 2rng h ILE 7 CO 0.03 0.00 0.72 1.88 -3.07 0.00 0.00 178.15 177.71 2rng h TYR 8 N -0.66 0.00 -3.10 2.19 0.05 -1.93 -3.28 116.97 110.24 2rng h TYR 8 Ca 0.02 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.26 2rng h TYR 8 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 2rng h TYR 8 CO -0.33 0.00 0.65 0.42 -1.05 0.00 0.00 178.16 177.85 2rng s ILE 9 N -4.53 3.92 -1.57 -2.88 1.01 0.04 -2.46 121.20 114.74 2rng s ILE 9 Ca -0.04 1.35 -0.03 0.00 0.00 0.00 0.00 60.65 61.94 2rng s ILE 9 Cb 0.15 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2rng s ILE 9 CO 0.51 0.07 0.32 0.61 0.00 0.00 0.00 174.94 176.44 2rng n GLY 10 N 3.35 -0.51 0.00 6.18 0.00 0.13 -4.95 105.19 109.39 2rng n GLY 10 Ca 0.10 0.07 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 -2.86 0.00 -3.29 4.61 0.00 -0.97 -4.96 120.51 113.03 2rng n ALA 11 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2rng n ALA 11 Cb 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 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 1.21 -0.62 0.50 0.00 2.01 -1.26 -1.64 115.64 115.84 2rng s THR 12 Ca 0.00 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 2rng s THR 12 Cb 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.07 2rng s THR 12 CO 0.00 -0.33 0.76 0.68 -0.69 0.00 0.00 174.62 175.04 2rng s VAL 13 N 1.69 3.86 0.00 3.82 -7.23 0.63 -4.69 120.40 118.48 2rng s VAL 13 Ca 0.16 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 2rng s VAL 13 Cb -0.11 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.37 2rng s VAL 13 CO -0.07 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 2rng n GLY 14 N -2.27 0.71 0.17 2.32 0.00 -1.24 0.39 105.19 105.28 2rng n GLY 14 Ca 0.03 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 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 0.55 0.64 1.61 0.13 -1.78 -1.34 132.00 131.81 2rng h PRO 15 Ca 0.00 -0.51 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2rng h PRO 15 Cb 0.00 0.12 0.01 0.00 0.13 0.00 0.00 31.00 31.26 2rng h PRO 15 CO 0.00 1.13 -0.31 1.03 -0.23 0.00 0.00 178.00 179.63 2rng h SER 16 N 0.15 -0.73 -0.11 1.44 0.87 -1.94 -1.93 113.55 111.32 2rng h SER 16 Ca -0.06 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2rng h SER 16 Cb 1.30 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 2rng h SER 16 CO 0.13 -0.40 0.00 0.58 -0.53 0.00 0.00 176.83 176.61 2rng h VAL 17 N -1.05 0.93 -0.12 2.23 2.07 -1.91 -2.61 116.25 115.79 2rng h VAL 17 Ca -0.09 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2rng h VAL 17 Cb 0.70 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2rng h VAL 17 CO 0.14 0.01 -0.20 -0.25 0.02 0.00 0.00 177.57 177.29 2rng h TRP 18 N 0.04 -0.61 -1.14 1.57 2.91 -1.23 0.21 115.95 117.70 2rng h TRP 18 Ca 0.05 0.03 0.40 0.00 1.13 0.00 0.00 58.89 60.49 2rng h TRP 18 Cb 0.05 0.28 -0.15 0.00 -0.51 0.00 0.00 29.16 28.84 2rng h TRP 18 CO -0.13 -0.18 0.69 0.00 -1.03 0.00 0.00 178.44 177.79 2rng h ALA 19 N -0.89 2.36 0.50 2.65 0.00 -1.25 -0.93 119.26 121.71 2rng h ALA 19 Ca 0.02 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2rng h ALA 19 Cb 0.22 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2rng h ALA 19 CO -0.20 -1.03 -0.24 -0.92 0.00 0.00 0.00 179.25 176.86 2rng h TYR 20 N 0.14 -0.62 -0.62 0.00 5.03 -0.22 -2.43 116.97 118.24 2rng h TYR 20 Ca 0.80 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 62.22 2rng h TYR 20 Cb 2.22 0.21 -0.12 0.00 1.55 0.00 0.00 36.73 40.59 2rng h TYR 20 CO -0.01 -0.39 -0.22 1.25 -1.32 0.00 0.00 178.16 177.48 2rng h LEU 21 N -0.77 -0.77 -0.43 2.82 6.46 -0.17 -0.53 115.31 121.91 2rng h LEU 21 Ca -0.07 0.20 0.09 0.00 -0.12 0.00 0.00 57.88 57.98 2rng h LEU 21 Cb 0.52 0.45 -0.09 0.00 -0.73 0.00 0.00 40.66 40.81 2rng h LEU 21 CO 0.11 -0.25 -0.26 0.58 -0.62 0.00 0.00 178.44 178.01 2rng h VAL 22 N -0.06 0.31 -0.88 1.05 2.07 -1.32 0.83 116.25 118.25 2rng h VAL 22 Ca 0.29 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.00 2rng h VAL 22 Cb 0.50 0.31 -0.11 0.00 -1.52 0.00 0.00 31.29 30.47 2rng h VAL 22 CO -0.67 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.33 2rng h ALA 23 N 1.02 1.37 -0.82 1.67 0.00 -0.58 0.16 119.26 122.08 2rng h ALA 23 Ca 0.20 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2rng h ALA 23 Cb 0.49 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2rng h ALA 23 CO -0.54 -0.25 0.54 1.25 0.00 0.00 0.00 179.25 180.26 2rng h LEU 24 N 0.48 0.93 0.00 0.00 5.85 -0.49 -3.43 115.31 118.65 2rng h LEU 24 Ca 0.52 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.22 2rng h LEU 24 Cb 0.91 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2rng h LEU 24 CO -0.47 0.67 0.00 0.55 -0.34 0.00 0.00 178.44 178.85 2rng n VAL 25 N -4.52 0.00 0.00 1.05 3.14 0.41 -5.11 118.33 113.29 2rng n VAL 25 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2rng n VAL 25 Cb 0.03 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 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 3.33 0.66 0.29 7.55 0.00 -0.26 -4.97 105.19 111.78 2rng n GLY 26 Ca 0.00 -0.89 0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 1.13 0.35 4.61 0.00 -1.95 -1.21 119.26 122.19 2rng h ALA 27 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2rng h ALA 27 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rng h ALA 27 CO 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 179.25 179.14 2rng h ALA 28 N 1.95 -0.60 0.00 0.00 0.00 -1.97 -1.23 119.26 117.41 2rng h ALA 28 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2rng h ALA 28 Cb 0.26 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2rng h ALA 28 CO 0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 179.25 178.66 2rng h ALA 29 N -1.40 1.17 -0.09 0.00 0.00 -1.93 -1.38 119.26 115.64 2rng h ALA 29 Ca -0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2rng h ALA 29 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2rng h ALA 29 CO 0.08 0.04 -0.74 0.28 0.00 0.00 0.00 179.25 178.91 2rng h VAL 30 N 0.00 1.37 0.07 0.00 2.07 -1.17 -1.93 116.25 116.66 2rng h VAL 30 Ca -0.00 -2.13 -0.25 0.00 0.82 0.00 0.00 66.70 65.15 2rng h VAL 30 Cb 0.17 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2rng h VAL 30 CO 0.00 0.64 -1.11 0.74 0.02 0.00 0.00 177.57 177.87 2rng h THR 31 N 0.31 1.50 0.00 2.57 2.02 -0.17 -3.21 112.91 115.93 2rng h THR 31 Ca -0.04 -2.92 -0.06 0.00 0.77 0.00 0.00 66.41 64.17 2rng h THR 31 Cb 1.33 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 70.50 2rng h THR 31 CO 0.13 0.85 -0.28 0.00 0.37 0.00 0.00 175.52 176.60 2rng h ALA 32 N 0.71 0.93 0.00 6.16 0.00 -1.34 -2.81 119.26 122.91 2rng h ALA 32 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2rng h ALA 32 Cb 1.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2rng h ALA 32 CO 0.18 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2rng n ALA 33 N -2.22 2.51 -3.12 0.00 0.00 -0.73 -4.91 120.51 112.05 2rng n ALA 33 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 2rng n ALA 33 Cb 0.51 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.76 -7.54 -4.12 0.00 2.85 -1.06 -2.03 115.26 102.61 2rng n ASN 34 Ca 0.11 -0.18 -0.33 0.00 -0.11 0.00 0.00 54.58 54.07 2rng n ASN 34 Cb 0.05 -5.13 -0.14 0.00 1.24 0.00 0.00 39.78 35.80 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 -3.04 2.55 0.25 -1.44 1.01 -1.24 0.21 121.20 119.49 2rng s ILE 35 Ca 0.05 -1.52 -0.23 0.00 0.00 0.00 0.00 60.65 58.95 2rng s ILE 35 Cb -0.01 -2.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 2rng s ILE 35 CO 0.76 -0.07 0.81 -0.13 0.00 0.00 0.00 174.94 176.31 2rng s ARG 36 N 1.17 4.42 0.30 2.79 0.52 -0.65 -4.86 118.95 122.64 2rng s ARG 36 Ca -0.07 1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 56.10 2rng s ARG 36 Cb -0.20 -2.92 -0.08 0.00 0.52 0.00 0.00 34.95 32.28 2rng s ARG 36 CO -0.03 0.39 0.66 1.03 0.02 0.00 0.00 175.30 177.36 2rng s ARG 37 N -1.86 3.88 0.25 3.54 0.52 -1.25 -0.26 118.95 123.76 2rng s ARG 37 Ca 0.44 0.46 0.08 0.00 -0.52 0.00 0.00 55.73 56.19 2rng s ARG 37 Cb -0.18 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 2rng s ARG 37 CO 0.23 0.19 -0.12 0.00 0.02 0.00 0.00 175.30 175.63 2rng s ALA 38 N -1.98 2.31 0.58 2.13 0.00 0.16 -4.83 121.76 120.13 2rng s ALA 38 Ca 0.51 -1.81 0.28 0.00 0.00 0.00 0.00 51.96 50.94 2rng s ALA 38 Cb -0.11 -0.00 1.51 0.00 0.00 0.00 0.00 23.12 24.52 2rng s ALA 38 CO 0.21 0.05 1.95 1.03 0.00 0.00 0.00 175.76 179.00 2rng h SER 39 N 2.37 0.00 -0.51 0.00 0.87 -1.89 -3.32 113.55 111.07 2rng h SER 39 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 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 0.64 0.00 0.01 -1.20 -0.53 0.00 0.00 176.83 175.75 2rng n SER 40 N -3.81 -0.03 0.13 6.23 7.64 -1.26 -4.73 113.62 117.79 2rng n SER 40 Ca 0.07 -1.01 0.10 0.00 1.01 0.00 0.00 58.87 59.03 2rng n SER 40 Cb 0.59 0.04 0.48 0.00 -1.01 0.00 0.00 64.21 64.31 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 -0.49 0.48 -4.36 6.43 8.00 -1.26 -3.61 116.55 121.75 2rng n ASP 41 Ca -0.00 0.70 -0.45 0.00 0.71 0.00 0.00 54.79 55.74 2rng n ASP 41 Cb 0.01 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 40.28 2rng n ASP 41 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2rng s ASN 42 N -3.89 6.17 0.28 -2.24 0.01 -1.26 -4.51 114.94 109.49 2rng s ASN 42 Ca -0.00 -1.51 0.02 0.00 -0.71 0.00 0.00 52.86 50.66 2rng s ASN 42 Cb 0.06 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 2rng s ASN 42 CO 0.21 -0.76 0.26 -1.38 -1.51 0.00 0.00 177.10 173.92 2rng s HIS 43 N 1.70 1.40 -0.00 2.20 -3.43 -1.26 -4.75 115.29 111.15 2rng s HIS 43 Ca 0.04 -1.48 -0.30 0.00 -0.80 0.00 0.00 55.06 52.53 2rng s HIS 43 Cb -0.27 -0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 30.31 2rng s HIS 43 CO 0.05 -0.82 1.01 -1.54 -2.00 0.00 0.00 174.74 171.44 2rng s SER 44 N -3.26 7.32 0.47 7.38 1.04 -1.26 -0.77 113.70 124.61 2rng s SER 44 Ca 0.38 1.70 0.03 0.00 0.48 0.00 0.00 55.95 58.54 2rng s SER 44 Cb 0.04 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2rng s SER 44 CO 0.20 -0.31 0.03 0.00 0.98 0.00 0.00 173.24 174.15 2rng n ALA 46 N -1.13 -1.16 -0.48 0.00 0.00 -1.26 -2.26 120.51 114.21 2rng n ALA 46 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2rng n ALA 46 Cb 0.67 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.98 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 -1.27 0.47 1.34 0.00 0.00 -1.26 -2.68 105.19 101.78 2rng n GLY 47 Ca 0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.46 3.15 -0.07 1.61 0.23 -1.26 -3.85 115.26 114.62 2rng n ASN 48 Ca 0.00 -2.54 -0.06 0.00 -0.53 0.00 0.00 54.58 51.45 2rng n ASN 48 Cb 0.00 -0.61 -0.12 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 -0.01 1.53 -4.37 -3.83 1.74 -1.09 -5.02 116.66 105.61 2rng n ARG 49 Ca 0.19 -0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 57.06 2rng n ARG 49 Cb 0.85 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.81 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 -4.71 1.56 0.24 -0.13 0.00 -0.96 -4.24 107.32 99.08 2rng s GLY 50 Ca -0.07 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 42.91 2rng s GLY 50 CO 0.60 -1.77 0.13 -0.98 0.00 0.00 0.00 173.10 171.08 2rng s TRP 51 N -3.05 1.36 -0.30 1.90 0.52 -0.89 -1.53 118.94 116.95 2rng s TRP 51 Ca 0.25 -1.33 -0.08 0.00 0.02 0.00 0.00 56.10 54.96 2rng s TRP 51 Cb 0.02 -0.71 -0.00 0.00 -1.15 0.00 0.00 33.47 31.62 2rng s TRP 51 CO 0.08 -0.54 0.12 0.00 0.02 0.00 0.00 176.95 176.64 2rng s ARG 53 N 1.58 0.82 0.10 0.00 0.52 -0.70 -4.40 118.95 116.87 2rng s ARG 53 Ca 0.04 -1.14 -0.31 0.00 -0.52 0.00 0.00 55.73 53.80 2rng s ARG 53 Cb -0.17 -0.50 -0.13 0.00 0.52 0.00 0.00 34.95 34.68 2rng s ARG 53 CO 0.05 0.07 1.60 1.03 0.02 0.00 0.00 175.30 178.08 2rng h SER 54 N 3.59 -1.03 -1.59 0.23 0.87 -1.94 -1.63 113.55 112.05 2rng h SER 54 Ca -0.37 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2rng h SER 54 Cb 1.19 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2rng h SER 54 CO 0.53 -0.51 0.00 2.29 -0.53 0.00 0.00 176.83 178.61 2rng n LYS 55 N -5.47 1.66 -3.82 2.24 0.00 -1.26 -4.19 118.16 107.32 2rng n LYS 55 Ca -0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.16 2rng n LYS 55 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.40 2rng n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rng n PHE 57 N -0.52 -3.99 0.10 0.00 3.72 -1.26 -5.00 117.46 110.51 2rng n PHE 57 Ca -0.05 -1.11 -0.24 0.00 -0.05 0.00 0.00 57.45 56.00 2rng n PHE 57 Cb 0.60 -0.98 -0.15 0.00 -0.94 0.00 0.00 39.48 38.00 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 0.46 0.00 -1.08 2.43 -2.02 -3.23 114.38 110.93 2rng h ARG 58 Ca -0.41 -0.78 0.00 0.00 -0.81 0.00 0.00 59.98 57.98 2rng h ARG 58 Cb 1.13 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2rng h ARG 58 CO 0.29 1.37 0.18 0.45 -1.51 0.00 0.00 179.97 180.75 2rng h HIS 59 N 0.09 0.00 -0.46 2.20 3.86 -2.00 -3.41 115.15 115.43 2rng h HIS 59 Ca -0.30 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.26 2rng h HIS 59 Cb 2.11 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 30.47 2rng h HIS 59 CO 0.12 0.00 -0.45 -1.21 0.86 0.00 0.00 177.93 177.25 2rng s GLU 60 N -3.70 2.21 0.00 2.45 2.02 -1.22 -4.69 118.70 115.77 2rng s GLU 60 Ca -0.03 -2.26 0.00 0.00 0.02 0.00 0.00 54.97 52.70 2rng s GLU 60 Cb 0.07 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.57 2rng s GLU 60 CO 0.22 -0.44 0.00 2.48 0.02 0.00 0.00 175.26 177.54 2rng n TYR 61 N -1.42 -0.10 -3.86 1.61 4.11 -1.08 -4.76 117.16 111.65 2rng n TYR 61 Ca -0.13 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 -1.80 1.62 -0.88 -3.48 1.01 -1.26 -2.04 120.40 113.57 2rng s VAL 62 Ca 0.00 -2.04 -0.16 0.00 0.00 0.00 0.00 61.98 59.78 2rng s VAL 62 Cb 0.00 -2.20 -0.24 0.00 0.00 0.00 0.00 36.38 33.94 2rng s VAL 62 CO 0.00 -0.68 2.21 -0.90 0.00 0.00 0.00 175.10 175.74 2rng n ASP 63 N 4.35 -0.07 -0.31 3.32 5.68 -0.22 -4.65 116.55 124.64 2rng n ASP 63 Ca 0.02 -1.03 0.34 0.00 -0.50 0.00 0.00 54.79 53.62 2rng n ASP 63 Cb 0.41 -1.03 0.57 0.00 -1.14 0.00 0.00 41.12 39.92 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 7.27 0.05 0.14 2.12 1.35 -1.96 0.25 112.91 122.14 2rng h THR 64 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 2rng h THR 64 Cb 1.07 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2rng h THR 64 CO 1.33 0.00 -0.07 0.22 -0.25 0.00 0.00 175.52 176.75 2rng h TYR 65 N 0.00 -0.18 0.00 4.73 5.03 -1.95 -3.18 116.97 121.42 2rng h TYR 65 Ca 0.58 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.89 2rng h TYR 65 Cb 2.96 0.06 0.00 0.00 1.55 0.00 0.00 36.73 41.30 2rng h TYR 65 CO 0.00 0.22 -0.06 0.66 -1.32 0.00 0.00 178.16 177.66 2rng n TYR 66 N -4.98 0.03 0.16 -3.82 4.01 0.75 -3.63 117.16 109.69 2rng n TYR 66 Ca -0.09 0.01 0.17 0.00 -0.16 0.00 0.00 57.90 57.83 2rng n TYR 66 Cb 0.25 -0.49 0.62 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.00 0.00 0.01 7.72 0.87 -1.13 -2.37 113.55 118.65 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 0.51 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 -0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2rng h ALA 68 N 1.09 -0.66 -1.39 6.23 0.00 -1.76 -2.72 119.26 120.05 2rng h ALA 68 Ca 0.14 -0.00 0.40 0.00 0.00 0.00 0.00 54.91 55.46 2rng h ALA 68 Cb 1.34 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 2rng h ALA 68 CO -0.00 -0.66 0.99 -0.24 0.00 0.00 0.00 179.25 179.34 2rng h VAL 69 N -0.01 0.29 0.40 0.00 3.04 -1.72 0.17 116.25 118.42 2rng h VAL 69 Ca -0.00 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 2rng h VAL 69 Cb 0.01 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.54 2rng h VAL 69 CO 0.00 0.01 -0.19 0.00 -1.01 0.00 0.00 177.57 176.38 2rng n GLY 71 N -1.25 0.95 0.38 0.00 0.00 0.58 -4.14 105.19 101.71 2rng n GLY 71 Ca -0.11 -1.48 0.18 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 0.00 1.61 3.08 -1.90 -3.41 114.38 113.77 2rng h ARG 72 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2rng h ARG 72 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2rng h ARG 72 CO 0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 2rng n TYR 73 N -3.26 -3.26 -4.58 3.04 4.01 -1.26 -4.98 117.16 106.87 2rng n TYR 73 Ca 0.05 -0.10 -0.23 0.00 -0.16 0.00 0.00 57.90 57.45 2rng n TYR 73 Cb 0.67 -0.04 -0.16 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.24 1.33 -0.69 -0.72 0.40 -0.62 -4.80 117.98 113.13 2rng s PHE 74 Ca 0.04 -0.41 -0.27 0.00 -0.60 0.00 0.00 56.93 55.68 2rng s PHE 74 Cb -0.00 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.61 2rng s PHE 74 CO 0.02 -0.18 1.25 0.00 0.70 0.00 0.00 175.22 177.02 2rng s ARG 77 N -5.40 1.59 -0.49 0.00 0.52 -0.86 -2.09 118.95 112.21 2rng s ARG 77 Ca 0.61 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.86 2rng s ARG 77 Cb -0.12 0.58 0.10 0.00 0.52 0.00 0.00 34.95 36.03 2rng s ARG 77 CO 0.51 -0.72 0.41 -1.54 0.02 0.00 0.00 175.30 173.98 2rng s SER 78 N -2.87 6.03 0.00 0.23 1.04 -1.26 -2.63 113.70 114.24 2rng s SER 78 Ca 0.09 -1.61 0.17 0.00 0.48 0.00 0.00 55.95 55.08 2rng s SER 78 Cb -0.04 -2.14 1.00 0.00 0.10 0.00 0.00 66.02 64.94 2rng s SER 78 CO 0.02 -0.72 1.41 -1.14 0.98 0.00 0.00 173.24 173.79