#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 2.50 0.50 3.52 0.04 -1.26 -4.84 135.00 135.47 2rng s PRO 2 Ca 0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2rng s PRO 2 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2rng s PRO 2 CO 0.00 -1.43 0.00 -0.11 0.04 0.00 0.00 177.00 175.50 2rng n LEU 3 N -3.37 -0.84 -4.69 -3.56 0.00 -1.26 -4.70 117.00 98.58 2rng n LEU 3 Ca 0.08 1.97 -0.40 0.00 0.00 0.00 0.00 56.01 57.66 2rng n LEU 3 Cb 0.53 -2.93 0.02 0.00 0.00 0.00 0.00 43.42 41.04 2rng n LEU 3 CO 0.55 -1.82 0.84 -0.38 0.00 0.00 0.00 177.39 176.58 2rng n ILE 4 N -4.10 2.91 0.00 1.96 2.08 -1.26 -4.99 119.36 115.95 2rng n ILE 4 Ca -0.07 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.74 2rng n ILE 4 Cb 0.57 -1.51 0.00 0.00 -0.75 0.00 0.00 39.64 37.95 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 -0.26 1.16 -0.04 0.38 -0.04 -1.26 -5.01 135.00 129.93 2rng n PRO 5 Ca 0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2rng n PRO 5 Cb 0.41 0.00 -0.03 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 1.93 -0.28 0.55 0.00 -1.26 -4.60 120.51 113.85 2rng n ALA 6 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.16 2rng n ALA 6 Cb 0.00 0.34 0.26 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.04 1.07 0.00 0.00 6.09 -1.96 -0.37 117.51 122.30 2rng h ILE 7 Ca -0.17 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 62.97 2rng h ILE 7 Cb 1.25 -0.01 -0.00 0.00 0.47 0.00 0.00 36.82 38.53 2rng h ILE 7 CO -0.04 0.18 -0.07 1.88 -3.07 0.00 0.00 178.15 177.03 2rng h TYR 8 N 0.99 0.00 -3.91 2.19 -1.99 -1.92 -3.36 116.97 108.97 2rng h TYR 8 Ca 0.37 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.60 2rng h TYR 8 Cb 0.18 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.94 2rng h TYR 8 CO -0.00 0.07 0.46 0.42 -0.00 0.00 0.00 178.16 179.11 2rng s ILE 9 N -4.39 3.47 -1.37 -2.88 1.01 -0.15 -2.78 121.20 114.10 2rng s ILE 9 Ca -0.04 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.75 2rng s ILE 9 Cb 0.14 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.99 2rng s ILE 9 CO 0.57 0.13 0.58 0.61 0.00 0.00 0.00 174.94 176.83 2rng n GLY 10 N 0.67 -0.48 0.00 6.18 0.00 0.31 -4.91 105.19 106.96 2rng n GLY 10 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.75 0.00 -3.31 4.61 0.00 -0.90 -4.92 120.51 112.24 2rng n ALA 11 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2rng n ALA 11 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.04 -0.57 0.49 0.00 2.01 -1.26 -1.50 115.64 114.78 2rng s THR 12 Ca 0.00 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 2rng s THR 12 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 2rng s THR 12 CO 0.00 -0.37 0.77 0.68 -0.69 0.00 0.00 174.62 175.00 2rng s VAL 13 N 1.72 4.36 0.00 3.82 -7.23 0.50 -4.68 120.40 118.89 2rng s VAL 13 Ca 0.16 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2rng s VAL 13 Cb -0.12 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2rng s VAL 13 CO -0.09 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 2rng n GLY 14 N -2.26 -1.97 0.22 2.32 0.00 -1.22 -0.71 105.19 101.56 2rng n GLY 14 Ca 0.01 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 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 0.76 0.07 1.61 0.13 -1.76 -2.47 132.00 130.35 2rng h PRO 15 Ca 0.00 -0.62 -0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2rng h PRO 15 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2rng h PRO 15 CO 0.00 1.23 -0.03 0.77 -0.23 0.00 0.00 178.00 179.73 2rng h SER 16 N 0.52 -0.08 -0.43 1.44 0.02 -1.92 -2.81 113.55 110.29 2rng h SER 16 Ca -0.05 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.56 2rng h SER 16 Cb 1.39 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 2rng h SER 16 CO 0.16 0.35 0.21 0.58 -1.14 0.00 0.00 176.83 176.98 2rng h VAL 17 N -0.53 0.96 -0.01 2.27 2.07 -1.92 -2.60 116.25 116.49 2rng h VAL 17 Ca -0.01 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2rng h VAL 17 Cb 0.45 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2rng h VAL 17 CO 0.02 0.08 -0.48 -0.25 0.02 0.00 0.00 177.57 176.95 2rng h TRP 18 N 0.42 -1.41 -0.91 1.57 2.91 -1.45 -0.36 115.95 116.73 2rng h TRP 18 Ca 0.19 0.05 0.25 0.00 1.13 0.00 0.00 58.89 60.51 2rng h TRP 18 Cb 0.10 0.62 -0.15 0.00 -0.51 0.00 0.00 29.16 29.22 2rng h TRP 18 CO -0.11 -0.51 0.24 0.00 -1.03 0.00 0.00 178.44 177.04 2rng h ALA 19 N -0.54 1.34 0.26 2.65 0.00 -1.24 -1.64 119.26 120.10 2rng h ALA 19 Ca 0.01 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2rng h ALA 19 Cb 0.64 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2rng h ALA 19 CO -0.32 -0.52 -0.16 -0.92 0.00 0.00 0.00 179.25 177.33 2rng h TYR 20 N 0.17 -0.42 -0.96 0.00 3.20 -0.72 -2.65 116.97 115.59 2rng h TYR 20 Ca 0.58 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.58 2rng h TYR 20 Cb 1.22 0.15 -0.14 0.00 1.54 0.00 0.00 36.73 39.50 2rng h TYR 20 CO -0.27 -0.24 -0.46 1.25 -1.64 0.00 0.00 178.16 176.80 2rng h LEU 21 N -0.40 -1.67 -0.81 2.82 6.46 -0.51 0.16 115.31 121.36 2rng h LEU 21 Ca -0.04 0.31 0.12 0.00 -0.12 0.00 0.00 57.88 58.15 2rng h LEU 21 Cb 0.32 0.81 -0.13 0.00 -0.73 0.00 0.00 40.66 40.93 2rng h LEU 21 CO 0.04 -0.27 -0.41 0.58 -0.62 0.00 0.00 178.44 177.75 2rng h VAL 22 N -0.02 0.06 -0.80 1.05 2.07 -1.23 0.54 116.25 117.91 2rng h VAL 22 Ca 0.27 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.98 2rng h VAL 22 Cb 0.53 0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 2rng h VAL 22 CO -0.95 0.00 0.23 0.00 0.02 0.00 0.00 177.57 176.88 2rng h ALA 23 N 1.00 1.12 -0.14 1.67 0.00 -0.32 0.20 119.26 122.79 2rng h ALA 23 Ca 0.26 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.38 2rng h ALA 23 Cb 0.56 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2rng h ALA 23 CO -0.85 -0.36 -0.03 1.25 0.00 0.00 0.00 179.25 179.27 2rng h LEU 24 N 0.29 -0.12 0.00 0.00 5.85 0.39 -3.43 115.31 118.29 2rng h LEU 24 Ca 0.47 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.23 2rng h LEU 24 Cb 0.86 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2rng h LEU 24 CO -0.55 -0.04 0.00 0.55 -0.34 0.00 0.00 178.44 178.06 2rng n VAL 25 N -5.16 0.00 0.00 1.05 3.14 -0.07 -5.03 118.33 112.27 2rng n VAL 25 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2rng n VAL 25 Cb 0.09 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 4.55 0.87 0.33 7.55 0.00 -0.45 -4.97 105.19 113.07 2rng n GLY 26 Ca 0.00 -0.81 0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 1.01 0.27 4.61 0.00 -1.95 -1.44 119.26 121.76 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 -0.13 0.00 0.00 0.00 0.00 179.25 179.12 2rng h ALA 28 N 2.00 -0.49 0.00 0.00 0.00 -1.97 -1.74 119.26 117.06 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 0.09 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2rng h ALA 28 CO 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.79 2rng h ALA 29 N -1.43 1.00 -0.05 0.00 0.00 -1.92 -1.36 119.26 115.50 2rng h ALA 29 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 2rng h ALA 29 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.08 2rng h ALA 29 CO 0.06 0.00 -0.96 0.28 0.00 0.00 0.00 179.25 178.63 2rng h VAL 30 N 0.00 1.28 0.00 0.00 2.07 -1.22 -1.74 116.25 116.64 2rng h VAL 30 Ca 0.00 -2.16 -0.16 0.00 0.82 0.00 0.00 66.70 65.20 2rng h VAL 30 Cb 0.09 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2rng h VAL 30 CO 0.00 0.67 -0.78 0.74 0.02 0.00 0.00 177.57 178.22 2rng h THR 31 N 0.44 1.44 0.00 2.57 2.02 -0.34 -3.17 112.91 115.87 2rng h THR 31 Ca -0.10 -2.79 -0.09 0.00 0.77 0.00 0.00 66.41 64.20 2rng h THR 31 Cb 1.60 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 70.55 2rng h THR 31 CO 0.19 0.77 -0.41 0.00 0.37 0.00 0.00 175.52 176.44 2rng h ALA 32 N 1.22 0.75 -0.00 6.16 0.00 -1.34 -3.08 119.26 122.96 2rng h ALA 32 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2rng h ALA 32 Cb 1.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2rng h ALA 32 CO 0.10 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2rng n ALA 33 N -2.21 2.58 -3.12 0.00 0.00 -0.66 -4.91 120.51 112.20 2rng n ALA 33 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 2rng n ALA 33 Cb 0.68 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.72 -7.54 -4.29 0.00 4.05 -1.17 -1.33 115.26 104.26 2rng n ASN 34 Ca 0.11 -0.17 -0.32 0.00 0.45 0.00 0.00 54.58 54.65 2rng n ASN 34 Cb 0.05 -5.09 -0.16 0.00 1.23 0.00 0.00 39.78 35.81 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 -3.03 2.17 0.11 -1.44 1.01 -1.23 0.11 121.20 118.91 2rng s ILE 35 Ca 0.04 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 59.74 2rng s ILE 35 Cb -0.01 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2rng s ILE 35 CO 0.76 0.57 -0.16 -0.13 0.00 0.00 0.00 174.94 175.98 2rng s ARG 36 N -0.20 1.88 -0.02 2.79 0.52 -0.56 -4.92 118.95 118.43 2rng s ARG 36 Ca -0.02 -1.14 -0.06 0.00 -0.52 0.00 0.00 55.73 53.99 2rng s ARG 36 Cb -0.13 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 2rng s ARG 36 CO 0.03 0.49 0.23 1.03 0.02 0.00 0.00 175.30 177.10 2rng s ARG 37 N -2.14 3.53 0.33 3.54 0.52 -1.25 -0.37 118.95 123.11 2rng s ARG 37 Ca 0.19 -0.13 0.09 0.00 -0.52 0.00 0.00 55.73 55.36 2rng s ARG 37 Cb -0.11 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 2rng s ARG 37 CO 0.11 0.68 0.01 0.00 0.02 0.00 0.00 175.30 176.12 2rng s ALA 38 N -1.25 3.20 0.57 2.13 0.00 0.11 -4.90 121.76 121.62 2rng s ALA 38 Ca 0.25 -1.91 0.33 0.00 0.00 0.00 0.00 51.96 50.62 2rng s ALA 38 Cb -0.13 -0.44 1.43 0.00 0.00 0.00 0.00 23.12 23.99 2rng s ALA 38 CO 0.14 0.10 1.76 0.66 0.00 0.00 0.00 175.76 178.42 2rng h SER 39 N 1.82 0.00 -0.62 0.00 4.64 -1.91 -3.24 113.55 114.23 2rng h SER 39 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2rng h SER 39 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2rng h SER 39 CO 0.65 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.41 2rng n SER 40 N -3.87 0.00 0.29 4.97 7.64 -1.26 -4.70 113.62 116.69 2rng n SER 40 Ca 0.19 -0.83 0.17 0.00 1.01 0.00 0.00 58.87 59.41 2rng n SER 40 Cb 1.09 0.00 0.89 0.00 -1.01 0.00 0.00 64.21 65.18 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 0.00 0.00 -3.62 6.43 3.32 -1.86 -3.24 116.42 117.46 2rng h ASP 41 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 2rng h ASP 41 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2rng h ASP 41 CO 0.00 0.05 0.34 0.21 -1.72 0.00 0.00 179.24 178.12 2rng s ASN 42 N -5.72 6.42 0.31 6.45 2.47 -1.26 -4.59 114.94 119.01 2rng s ASN 42 Ca -0.03 -0.07 -0.05 0.00 0.42 0.00 0.00 52.86 53.13 2rng s ASN 42 Cb 0.12 -2.38 -0.00 0.00 -1.45 0.00 0.00 41.25 37.54 2rng s ASN 42 CO 0.52 -0.88 0.46 -1.38 -3.72 0.00 0.00 177.10 172.09 2rng s HIS 43 N 3.24 0.88 0.22 0.43 -3.43 -1.26 -4.77 115.29 110.59 2rng s HIS 43 Ca 0.29 -1.15 -0.30 0.00 -0.80 0.00 0.00 55.06 53.10 2rng s HIS 43 Cb -0.12 -0.02 -0.08 0.00 -1.43 0.00 0.00 32.58 30.92 2rng s HIS 43 CO 0.22 -1.08 0.94 -1.54 -2.00 0.00 0.00 174.74 171.28 2rng s SER 44 N -3.18 7.62 0.39 7.38 1.04 -1.26 -0.70 113.70 124.99 2rng s SER 44 Ca 0.29 1.92 0.04 0.00 0.48 0.00 0.00 55.95 58.68 2rng s SER 44 Cb -0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 2rng s SER 44 CO 0.17 0.12 0.13 0.00 0.98 0.00 0.00 173.24 174.64 2rng n ALA 46 N -0.86 -1.23 -0.36 0.00 0.00 -1.26 -2.08 120.51 114.72 2rng n ALA 46 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rng n ALA 46 Cb 0.65 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 16.46 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 -1.42 -0.03 1.21 0.00 0.00 -1.26 -2.98 105.19 100.70 2rng n GLY 47 Ca 0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.57 2.99 -0.06 1.61 3.02 -1.26 -3.81 115.26 117.16 2rng n ASN 48 Ca 0.00 -2.45 -0.05 0.00 -0.03 0.00 0.00 54.58 52.04 2rng n ASN 48 Cb 0.00 -0.59 -0.12 0.00 -0.61 0.00 0.00 39.78 38.46 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 0.09 1.49 -4.49 3.52 1.74 -1.16 -5.02 116.66 112.83 2rng n ARG 49 Ca 0.15 -0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.97 2rng n ARG 49 Cb 0.75 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.71 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 -4.67 2.02 0.27 -0.13 0.00 -0.88 -4.41 107.32 99.52 2rng s GLY 50 Ca -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.65 2rng s GLY 50 CO 0.60 -1.95 0.27 -0.98 0.00 0.00 0.00 173.10 171.04 2rng s TRP 51 N -2.77 1.26 -0.31 1.90 0.52 -0.94 -1.39 118.94 117.21 2rng s TRP 51 Ca 0.31 -1.39 -0.06 0.00 0.02 0.00 0.00 56.10 54.97 2rng s TRP 51 Cb 0.02 -0.46 0.02 0.00 -1.15 0.00 0.00 33.47 31.91 2rng s TRP 51 CO 0.14 -0.83 0.08 0.00 0.02 0.00 0.00 176.95 176.36 2rng s ARG 53 N 1.45 0.68 0.35 0.00 0.52 -0.53 -4.42 118.95 117.01 2rng s ARG 53 Ca 0.01 -0.52 0.14 0.00 -0.52 0.00 0.00 55.73 54.84 2rng s ARG 53 Cb -0.18 -0.62 1.03 0.00 0.52 0.00 0.00 34.95 35.70 2rng s ARG 53 CO 0.02 0.16 1.70 0.66 0.02 0.00 0.00 175.30 177.86 2rng h SER 54 N 5.32 0.56 -4.77 0.23 4.64 -1.92 -2.51 113.55 115.10 2rng h SER 54 Ca -0.33 0.15 -0.34 0.00 -0.47 0.00 0.00 61.79 60.79 2rng h SER 54 Cb 1.19 0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 2rng h SER 54 CO 0.46 -0.02 -0.60 -0.75 -0.87 0.00 0.00 176.83 175.05 2rng s LYS 55 N -5.66 1.42 0.50 4.77 2.20 -1.26 -4.37 119.74 117.33 2rng s LYS 55 Ca -0.10 -1.77 0.02 0.00 -0.36 0.00 0.00 55.97 53.76 2rng s LYS 55 Cb 0.28 -0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2rng s LYS 55 CO 0.80 -0.35 0.01 0.00 -0.36 0.00 0.00 175.35 175.45 2rng n PHE 57 N -1.23 -3.24 0.05 0.00 3.72 -1.26 -4.99 117.46 110.49 2rng n PHE 57 Ca -0.17 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.01 2rng n PHE 57 Cb 0.67 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.32 0.00 -1.08 2.43 -2.00 -3.26 114.38 110.79 2rng h ARG 58 Ca 0.00 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2rng h ARG 58 Cb 0.00 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2rng h ARG 58 CO 0.00 1.26 0.00 1.58 -1.51 0.00 0.00 179.97 181.30 2rng n HIS 59 N -3.84 0.00 -4.62 2.20 -0.00 -1.26 -4.76 115.22 102.94 2rng n HIS 59 Ca -0.23 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.66 2rng n HIS 59 Cb 0.96 -0.06 -0.07 0.00 -0.12 0.00 0.00 29.99 30.69 2rng n HIS 59 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2rng n GLU 60 N -1.06 0.63 -0.59 1.57 1.02 -1.23 -4.30 120.64 116.68 2rng n GLU 60 Ca 0.13 -3.69 0.00 0.00 -0.02 0.00 0.00 57.16 53.59 2rng n GLU 60 Cb 0.08 1.61 0.00 0.00 -0.02 0.00 0.00 31.44 33.11 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 -1.09 0.00 -3.66 -0.32 4.11 -0.53 -4.58 117.16 111.09 2rng n TYR 61 Ca -0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.41 2rng n TYR 61 Cb 0.65 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.91 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 -1.27 4.04 -0.99 -3.48 1.01 -1.26 -2.09 120.40 116.36 2rng s VAL 62 Ca 0.00 -3.13 -0.15 0.00 0.00 0.00 0.00 61.98 58.71 2rng s VAL 62 Cb 0.00 -3.59 -0.31 0.00 0.00 0.00 0.00 36.38 32.49 2rng s VAL 62 CO 0.00 -0.94 2.28 -0.67 0.00 0.00 0.00 175.10 175.77 2rng n ASP 63 N 3.26 -0.96 -0.09 3.32 -0.08 0.39 -4.68 116.55 117.70 2rng n ASP 63 Ca 0.12 -0.41 0.08 0.00 -1.51 0.00 0.00 54.79 53.06 2rng n ASP 63 Cb 0.38 -0.66 0.43 0.00 2.34 0.00 0.00 41.12 43.62 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 7.25 0.99 -0.28 5.18 1.35 -1.95 0.13 112.91 125.57 2rng h THR 64 Ca 0.02 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.66 2rng h THR 64 Cb 1.17 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 2rng h THR 64 CO 1.56 0.10 0.10 0.22 -0.25 0.00 0.00 175.52 177.25 2rng h TYR 65 N 0.56 0.44 -0.00 4.73 3.20 -1.93 -2.83 116.97 121.14 2rng h TYR 65 Ca 0.26 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2rng h TYR 65 Cb 0.29 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2rng h TYR 65 CO -0.00 0.45 -0.23 0.66 -1.64 0.00 0.00 178.16 177.41 2rng n TYR 66 N -4.74 0.00 0.21 -3.82 4.01 -0.88 -3.84 117.16 108.11 2rng n TYR 66 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.88 2rng n TYR 66 Cb 0.14 -0.23 0.66 0.00 -0.31 0.00 0.00 39.34 39.60 2rng n TYR 66 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2rng h SER 67 N 0.48 0.00 0.00 7.72 0.02 -0.50 -2.51 113.55 118.76 2rng h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rng h SER 67 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2rng h SER 67 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2rng n ALA 68 N -2.01 -0.26 -0.47 3.77 0.00 -1.25 -2.53 120.51 117.75 2rng n ALA 68 Ca 0.03 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.90 2rng n ALA 68 Cb 0.64 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.86 2rng n ALA 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2rng h VAL 69 N 0.00 0.23 0.41 0.00 3.04 -1.75 -1.17 116.25 117.02 2rng h VAL 69 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 2rng h VAL 69 Cb 0.00 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 29.52 2rng h VAL 69 CO 0.00 0.00 -0.20 0.00 -1.01 0.00 0.00 177.57 176.36 2rng n GLY 71 N -1.13 0.87 0.04 0.00 0.00 -0.44 -4.48 105.19 100.06 2rng n GLY 71 Ca -0.07 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 2rng n GLY 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2rng h ARG 72 N 0.00 0.00 0.00 1.61 2.43 -1.90 -3.44 114.38 113.09 2rng h ARG 72 Ca 0.00 -0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.85 2rng h ARG 72 Cb 0.00 -0.00 0.13 0.00 -0.42 0.00 0.00 29.97 29.68 2rng h ARG 72 CO 0.00 0.08 0.31 0.66 -1.51 0.00 0.00 179.97 179.51 2rng n TYR 73 N -5.05 -4.00 -5.02 2.20 4.01 -1.26 -4.97 117.16 103.07 2rng n TYR 73 Ca -0.07 -0.87 -0.29 0.00 -0.16 0.00 0.00 57.90 56.51 2rng n TYR 73 Cb 0.07 -0.76 -0.15 0.00 -0.31 0.00 0.00 39.34 38.19 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 -3.15 2.18 -0.71 -0.72 0.40 -0.94 -4.75 117.98 110.28 2rng s PHE 74 Ca 0.56 -0.41 -0.27 0.00 -0.60 0.00 0.00 56.93 56.21 2rng s PHE 74 Cb -0.01 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.19 2rng s PHE 74 CO 0.39 0.04 1.29 0.00 0.70 0.00 0.00 175.22 177.64 2rng s ARG 77 N -5.37 2.05 -0.56 0.00 0.52 -0.89 -2.22 118.95 112.48 2rng s ARG 77 Ca 0.60 -1.41 -0.09 0.00 -0.52 0.00 0.00 55.73 54.30 2rng s ARG 77 Cb -0.12 0.58 0.14 0.00 0.52 0.00 0.00 34.95 36.08 2rng s ARG 77 CO 0.52 -0.93 0.44 0.45 0.02 0.00 0.00 175.30 175.79 2rng s SER 78 N -3.07 5.82 0.00 0.23 0.15 -1.26 -1.46 113.70 114.10 2rng s SER 78 Ca 0.18 -2.21 0.30 0.00 0.70 0.00 0.00 55.95 54.91 2rng s SER 78 Cb -0.04 -2.02 1.44 0.00 -1.71 0.00 0.00 66.02 63.69 2rng s SER 78 CO 0.12 -0.62 1.97 -1.14 1.20 0.00 0.00 173.24 174.77