#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 0.39 -0.14 1.20 0.04 -1.26 -5.02 135.00 130.20 2rng s PRO 2 Ca 0.00 0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.30 2rng s PRO 2 Cb 0.00 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.89 2rng s PRO 2 CO 0.00 -2.69 0.85 1.47 0.04 0.00 0.00 177.00 176.67 2rng n LEU 3 N -4.10 -0.59 -4.76 -3.56 -0.00 -1.26 -5.14 117.00 97.59 2rng n LEU 3 Ca 0.08 -1.69 -0.38 0.00 -0.00 0.00 0.00 56.01 54.02 2rng n LEU 3 Cb 0.59 0.75 0.02 0.00 -0.00 0.00 0.00 43.42 44.78 2rng n LEU 3 CO 0.54 1.20 0.94 -0.63 -0.00 0.00 0.00 177.39 179.44 2rng s ILE 4 N 0.04 2.46 0.80 1.47 -1.09 -1.26 -5.00 121.20 118.62 2rng s ILE 4 Ca 0.03 0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 58.69 2rng s ILE 4 Cb 0.12 -3.18 0.07 0.00 -1.58 0.00 0.00 42.46 37.89 2rng s ILE 4 CO -0.03 0.00 1.12 -2.16 -1.23 0.00 0.00 174.94 172.64 2rng s PRO 5 N -2.75 2.04 0.34 2.79 0.04 -1.26 -4.97 135.00 131.23 2rng s PRO 5 Ca 0.67 0.46 0.22 0.00 0.04 0.00 0.00 61.00 62.39 2rng s PRO 5 Cb -0.37 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.44 2rng s PRO 5 CO 0.44 -1.61 1.42 0.00 0.04 0.00 0.00 177.00 177.29 2rng h ALA 6 N -1.07 0.82 -0.05 8.56 0.00 -1.96 -3.36 119.26 122.20 2rng h ALA 6 Ca -0.47 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.37 2rng h ALA 6 Cb 1.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2rng h ALA 6 CO 0.62 0.13 -0.25 0.97 0.00 0.00 0.00 179.25 180.72 2rng h ILE 7 N 0.00 0.42 -0.68 0.00 6.09 -1.93 0.06 117.51 121.47 2rng h ILE 7 Ca -0.01 0.00 0.20 0.00 -1.37 0.00 0.00 64.86 63.68 2rng h ILE 7 Cb 1.08 0.42 -0.03 0.00 0.47 0.00 0.00 36.82 38.77 2rng h ILE 7 CO 0.01 0.00 0.69 1.88 -3.07 0.00 0.00 178.15 177.66 2rng h TYR 8 N -0.36 0.00 -3.53 2.19 0.05 -1.92 -3.32 116.97 110.07 2rng h TYR 8 Ca 0.08 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.34 2rng h TYR 8 Cb 0.47 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.24 2rng h TYR 8 CO -0.31 0.00 0.63 0.42 -1.05 0.00 0.00 178.16 177.85 2rng s ILE 9 N -4.62 3.15 -1.24 -2.88 1.01 0.01 -2.26 121.20 114.36 2rng s ILE 9 Ca -0.04 1.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.56 2rng s ILE 9 Cb 0.16 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 39.03 2rng s ILE 9 CO 0.57 0.18 0.31 0.61 0.00 0.00 0.00 174.94 176.61 2rng n GLY 10 N 1.91 -0.50 0.00 6.18 0.00 0.17 -4.91 105.19 108.04 2rng n GLY 10 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.01 0.00 -3.27 4.61 0.00 -0.96 -4.92 120.51 112.97 2rng n ALA 11 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 2rng n ALA 11 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 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 0.82 -0.70 0.55 0.00 2.01 -1.26 -1.85 115.64 115.21 2rng s THR 12 Ca 0.00 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 2rng s THR 12 Cb 0.00 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.84 2rng s THR 12 CO 0.00 -0.25 0.80 0.68 -0.69 0.00 0.00 174.62 175.16 2rng s VAL 13 N 2.18 3.00 0.00 3.82 -7.23 0.14 -4.71 120.40 117.59 2rng s VAL 13 Ca 0.13 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 2rng s VAL 13 Cb -0.11 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2rng s VAL 13 CO -0.18 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2rng n GLY 14 N -2.39 -0.64 0.08 2.32 0.00 -1.21 -0.11 105.19 103.23 2rng n GLY 14 Ca 0.06 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.05 -0.08 1.61 0.13 -1.76 -2.03 132.00 129.83 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 0.59 0.05 0.66 -0.23 0.00 0.00 178.00 179.07 2rng h SER 16 N -0.75 0.09 -0.36 1.44 4.64 -1.93 -2.50 113.55 114.18 2rng h SER 16 Ca -0.00 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2rng h SER 16 Cb 0.66 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 2rng h SER 16 CO 0.01 0.10 0.22 0.58 -0.87 0.00 0.00 176.83 176.86 2rng h VAL 17 N 0.08 1.05 0.03 0.95 2.07 -1.93 -2.57 116.25 115.93 2rng h VAL 17 Ca 0.03 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2rng h VAL 17 Cb 0.02 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2rng h VAL 17 CO -0.01 0.08 -0.39 -0.25 0.02 0.00 0.00 177.57 177.03 2rng h TRP 18 N 0.44 -1.14 -1.11 1.57 7.01 -1.14 0.43 115.95 122.01 2rng h TRP 18 Ca 0.14 0.03 0.32 0.00 2.11 0.00 0.00 58.89 61.49 2rng h TRP 18 Cb -0.02 0.49 -0.11 0.00 -2.10 0.00 0.00 29.16 27.43 2rng h TRP 18 CO -0.07 -0.42 0.70 0.00 -2.79 0.00 0.00 178.44 175.86 2rng h ALA 19 N -0.75 2.32 0.50 2.65 0.00 -1.35 0.20 119.26 122.83 2rng h ALA 19 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2rng h ALA 19 Cb 0.53 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2rng h ALA 19 CO -0.24 -0.82 -0.24 -0.92 0.00 0.00 0.00 179.25 177.03 2rng h TYR 20 N 0.31 -0.62 -0.80 0.00 3.20 -0.53 -2.32 116.97 116.21 2rng h TYR 20 Ca 0.67 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.65 2rng h TYR 20 Cb 1.81 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 40.23 2rng h TYR 20 CO -0.00 -0.37 0.52 1.25 -1.64 0.00 0.00 178.16 177.92 2rng h LEU 21 N -0.70 0.59 0.26 2.82 6.46 -0.12 -2.02 115.31 122.60 2rng h LEU 21 Ca -0.07 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2rng h LEU 21 Cb 0.53 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2rng h LEU 21 CO 0.11 0.33 -0.13 0.58 -0.62 0.00 0.00 178.44 178.71 2rng h VAL 22 N 0.64 0.75 -0.98 1.05 2.07 -0.93 -1.98 116.25 116.87 2rng h VAL 22 Ca 0.38 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 68.02 2rng h VAL 22 Cb 0.61 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 2rng h VAL 22 CO -0.15 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.04 2rng h ALA 23 N 0.39 1.48 -0.79 1.67 0.00 -0.85 -0.04 119.26 121.12 2rng h ALA 23 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2rng h ALA 23 Cb 0.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2rng h ALA 23 CO 0.06 0.17 0.42 1.25 0.00 0.00 0.00 179.25 181.14 2rng h LEU 24 N 0.93 1.00 0.00 0.00 5.85 -1.03 -3.43 115.31 118.63 2rng h LEU 24 Ca 0.49 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2rng h LEU 24 Cb 0.52 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2rng h LEU 24 CO -0.28 0.82 0.00 0.55 -0.34 0.00 0.00 178.44 179.19 2rng n VAL 25 N -4.34 0.00 0.00 1.05 3.14 -0.16 -4.79 118.33 113.24 2rng n VAL 25 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2rng n VAL 25 Cb 0.11 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 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 2.75 0.76 0.32 7.55 0.00 -0.43 -4.97 105.19 111.18 2rng n GLY 26 Ca 0.00 -0.77 0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 1.18 0.32 4.61 0.00 -1.93 -0.78 119.26 122.66 2rng h ALA 27 Ca 0.00 -0.00 -0.02 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 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.10 2rng h ALA 28 N 2.00 -0.55 0.00 0.00 0.00 -1.97 -1.63 119.26 117.10 2rng h ALA 28 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2rng h ALA 28 Cb 0.02 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2rng h ALA 28 CO 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 179.25 178.70 2rng h ALA 29 N -1.40 1.13 -0.03 0.00 0.00 -1.92 -0.74 119.26 116.31 2rng h ALA 29 Ca -0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2rng h ALA 29 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2rng h ALA 29 CO 0.07 0.04 -0.78 0.28 0.00 0.00 0.00 179.25 178.86 2rng h VAL 30 N 0.00 1.44 0.00 0.00 2.07 -1.12 -2.17 116.25 116.47 2rng h VAL 30 Ca -0.00 -2.35 -0.04 0.00 0.82 0.00 0.00 66.70 65.13 2rng h VAL 30 Cb 0.18 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2rng h VAL 30 CO 0.00 0.69 -0.98 0.74 0.02 0.00 0.00 177.57 178.04 2rng h THR 31 N 0.16 0.13 0.00 2.57 2.02 -0.27 -3.32 112.91 114.20 2rng h THR 31 Ca -0.03 -1.25 -0.12 0.00 0.77 0.00 0.00 66.41 65.77 2rng h THR 31 Cb 1.36 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.44 2rng h THR 31 CO 0.12 0.08 -0.80 0.00 0.37 0.00 0.00 175.52 175.29 2rng h ALA 32 N 1.86 0.65 -0.02 6.16 0.00 -1.17 -3.21 119.26 123.54 2rng h ALA 32 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2rng h ALA 32 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2rng h ALA 32 CO 0.01 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2rng n ALA 33 N -2.28 2.54 -3.01 0.00 0.00 -0.82 -4.92 120.51 112.02 2rng n ALA 33 Ca -0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 2rng n ALA 33 Cb 0.77 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.56 -7.67 -3.97 0.00 2.85 -1.21 -1.39 115.26 103.30 2rng n ASN 34 Ca 0.07 0.17 -0.31 0.00 -0.11 0.00 0.00 54.58 54.40 2rng n ASN 34 Cb 0.05 -5.07 -0.15 0.00 1.24 0.00 0.00 39.78 35.84 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 -2.76 1.67 0.43 -1.44 1.01 -1.25 0.43 121.20 119.29 2rng s ILE 35 Ca 0.13 -1.29 -0.07 0.00 0.00 0.00 0.00 60.65 59.42 2rng s ILE 35 Cb -0.03 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 2rng s ILE 35 CO 0.77 -0.06 0.76 -0.13 0.00 0.00 0.00 174.94 176.27 2rng s ARG 36 N 1.33 3.65 0.08 2.79 1.81 -0.77 -4.88 118.95 122.97 2rng s ARG 36 Ca -0.06 0.30 0.02 0.00 -1.72 0.00 0.00 55.73 54.26 2rng s ARG 36 Cb -0.19 -2.41 -0.04 0.00 -0.45 0.00 0.00 34.95 31.86 2rng s ARG 36 CO -0.06 -0.09 0.17 1.03 -0.68 0.00 0.00 175.30 175.66 2rng s ARG 37 N -4.24 3.22 0.17 3.54 0.52 -1.25 -0.68 118.95 120.22 2rng s ARG 37 Ca 0.49 -0.56 0.09 0.00 -0.52 0.00 0.00 55.73 55.23 2rng s ARG 37 Cb -0.10 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 2rng s ARG 37 CO 0.38 0.58 -0.20 0.00 0.02 0.00 0.00 175.30 176.08 2rng s ALA 38 N -1.50 2.10 0.60 2.13 0.00 0.84 -4.87 121.76 121.05 2rng s ALA 38 Ca 0.33 -1.50 0.30 0.00 0.00 0.00 0.00 51.96 51.09 2rng s ALA 38 Cb -0.12 -0.22 1.19 0.00 0.00 0.00 0.00 23.12 23.96 2rng s ALA 38 CO 0.26 0.29 1.52 0.77 0.00 0.00 0.00 175.76 178.59 2rng h SER 39 N 3.31 0.00 -0.17 0.00 0.02 -1.90 -3.24 113.55 111.57 2rng h SER 39 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2rng h SER 39 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2rng h SER 39 CO 0.49 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.98 2rng n SER 40 N -3.48 0.00 0.05 3.07 7.64 -1.26 -4.70 113.62 114.94 2rng n SER 40 Ca 0.21 -0.25 0.10 0.00 1.01 0.00 0.00 58.87 59.95 2rng n SER 40 Cb 1.33 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.95 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 -0.17 0.28 -4.45 6.43 9.92 -1.26 -3.30 116.55 124.01 2rng n ASP 41 Ca 0.00 0.56 -0.44 0.00 -0.53 0.00 0.00 54.79 54.38 2rng n ASP 41 Cb 0.00 -0.62 -0.07 0.00 -0.64 0.00 0.00 41.12 39.79 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 -3.53 6.22 0.29 -2.24 3.84 -1.26 -4.51 114.94 113.75 2rng s ASN 42 Ca 0.07 -0.89 -0.03 0.00 0.21 0.00 0.00 52.86 52.23 2rng s ASN 42 Cb 0.11 -2.28 -0.01 0.00 -0.55 0.00 0.00 41.25 38.52 2rng s ASN 42 CO 0.37 -0.84 0.37 -1.38 -2.79 0.00 0.00 177.10 172.84 2rng s HIS 43 N 2.52 1.06 -0.13 0.43 -3.43 -1.26 -4.78 115.29 109.69 2rng s HIS 43 Ca 0.14 -1.26 -0.29 0.00 -0.80 0.00 0.00 55.06 52.86 2rng s HIS 43 Cb -0.19 -0.23 -0.01 0.00 -1.43 0.00 0.00 32.58 30.72 2rng s HIS 43 CO 0.12 -0.97 0.97 -1.54 -2.00 0.00 0.00 174.74 171.33 2rng s SER 44 N -3.20 7.17 0.41 7.38 1.04 -1.26 -0.94 113.70 124.30 2rng s SER 44 Ca 0.32 1.44 0.02 0.00 0.48 0.00 0.00 55.95 58.21 2rng s SER 44 Cb 0.02 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.62 2rng s SER 44 CO 0.18 -0.46 0.15 0.00 0.98 0.00 0.00 173.24 174.08 2rng n ALA 46 N -1.90 -1.22 -0.51 0.00 0.00 -1.26 -2.14 120.51 113.48 2rng n ALA 46 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2rng n ALA 46 Cb 0.50 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 -1.30 0.33 1.50 0.00 0.00 -1.26 -2.79 105.19 101.66 2rng n GLY 47 Ca 0.08 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.06 3.68 -0.02 1.61 0.23 -1.26 -3.83 115.26 114.60 2rng n ASN 48 Ca 0.00 -2.63 -0.02 0.00 -0.53 0.00 0.00 54.58 51.40 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 -0.00 2.85 -4.51 -3.83 1.74 -1.12 -5.05 116.66 106.74 2rng n ARG 49 Ca 0.22 -0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 57.04 2rng n ARG 49 Cb 0.88 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 31.08 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 -3.53 2.05 0.17 -0.13 0.00 -0.91 -4.35 107.32 100.62 2rng s GLY 50 Ca -0.02 -1.99 -0.01 0.00 0.00 0.00 0.00 44.72 42.69 2rng s GLY 50 CO 0.21 -2.00 0.09 -0.98 0.00 0.00 0.00 173.10 170.42 2rng s TRP 51 N -2.56 1.03 -0.36 1.90 0.52 -0.92 -1.60 118.94 116.94 2rng s TRP 51 Ca 0.31 -1.28 -0.08 0.00 0.02 0.00 0.00 56.10 55.07 2rng s TRP 51 Cb -0.01 -0.54 0.04 0.00 -1.15 0.00 0.00 33.47 31.81 2rng s TRP 51 CO 0.16 -0.55 0.16 0.00 0.02 0.00 0.00 176.95 176.74 2rng s ARG 53 N 1.44 1.11 0.21 0.00 3.00 -0.87 -4.36 118.95 119.47 2rng s ARG 53 Ca 0.00 -1.44 -0.12 0.00 0.00 0.00 0.00 55.73 54.18 2rng s ARG 53 Cb -0.20 -0.79 0.26 0.00 0.00 0.00 0.00 34.95 34.23 2rng s ARG 53 CO 0.04 0.12 1.67 0.66 0.00 0.00 0.00 175.30 177.78 2rng h SER 54 N 2.88 -0.28 -3.07 0.23 4.64 -1.94 -2.11 113.55 113.90 2rng h SER 54 Ca -0.37 0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.01 2rng h SER 54 Cb 1.20 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 2rng h SER 54 CO 0.61 -0.11 -0.06 0.29 -0.87 0.00 0.00 176.83 176.68 2rng n LYS 55 N -5.28 1.46 -4.31 4.77 4.76 -1.26 -4.21 118.16 114.10 2rng n LYS 55 Ca 0.08 -0.47 -0.16 0.00 -2.87 0.00 0.00 58.31 54.89 2rng n LYS 55 Cb 0.33 0.17 -0.10 0.00 -1.84 0.00 0.00 35.03 33.59 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 -3.42 3.27 0.14 0.00 0.08 -1.26 -4.93 117.98 111.85 2rng s PHE 57 Ca 0.26 1.04 -0.15 0.00 0.12 0.00 0.00 56.93 58.20 2rng s PHE 57 Cb 0.05 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 2rng s PHE 57 CO 0.07 -1.25 1.67 -0.09 -0.10 0.00 0.00 175.22 175.52 2rng h ARG 58 N -0.70 0.64 0.00 0.44 2.43 -2.00 -1.12 114.38 114.07 2rng h ARG 58 Ca -0.45 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 2rng h ARG 58 Cb 1.26 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2rng h ARG 58 CO 0.64 0.61 0.00 0.72 -1.51 0.00 0.00 179.97 180.43 2rng n HIS 59 N -4.61 0.00 -4.61 2.20 8.25 -1.26 -4.72 115.22 110.48 2rng n HIS 59 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2rng n HIS 59 Cb 0.16 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.24 0.83 -0.71 -0.41 1.02 -0.42 -4.47 120.64 115.23 2rng n GLU 60 Ca 0.06 -3.23 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 2rng n GLU 60 Cb 0.09 1.10 0.00 0.00 -0.02 0.00 0.00 31.44 32.61 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 -1.04 0.00 -3.68 -0.32 4.11 -0.85 -4.58 117.16 110.80 2rng n TYR 61 Ca -0.15 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.38 2rng n TYR 61 Cb 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.82 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 -1.33 3.93 -0.99 -3.48 1.01 -1.26 -2.11 120.40 116.17 2rng s VAL 62 Ca 0.00 -3.06 -0.14 0.00 0.00 0.00 0.00 61.98 58.78 2rng s VAL 62 Cb 0.00 -3.53 -0.31 0.00 0.00 0.00 0.00 36.38 32.54 2rng s VAL 62 CO 0.00 -0.92 2.26 -0.67 0.00 0.00 0.00 175.10 175.77 2rng n ASP 63 N 3.35 -1.04 0.10 3.32 -0.08 0.35 -4.67 116.55 117.88 2rng n ASP 63 Ca 0.10 -0.44 0.14 0.00 -1.51 0.00 0.00 54.79 53.08 2rng n ASP 63 Cb 0.38 -0.64 0.64 0.00 2.34 0.00 0.00 41.12 43.84 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 7.21 0.87 -0.07 5.18 1.35 -1.95 0.87 112.91 126.38 2rng h THR 64 Ca 0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 2rng h THR 64 Cb 1.16 0.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2rng h THR 64 CO 1.57 0.01 -0.02 0.22 -0.25 0.00 0.00 175.52 177.04 2rng h TYR 65 N 0.06 0.16 -0.00 4.73 3.20 -1.93 -3.11 116.97 120.08 2rng h TYR 65 Ca 0.15 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2rng h TYR 65 Cb 0.50 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2rng h TYR 65 CO -0.00 0.49 -0.17 0.66 -1.64 0.00 0.00 178.16 177.50 2rng n TYR 66 N -4.79 0.00 0.02 -3.82 4.02 -0.91 -3.82 117.16 107.86 2rng n TYR 66 Ca -0.07 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.03 2rng n TYR 66 Cb 0.24 -0.35 0.57 0.00 -0.02 0.00 0.00 39.34 39.78 2rng n TYR 66 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2rng h SER 67 N 0.11 0.00 0.00 7.72 0.02 -0.77 -2.23 113.55 118.40 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 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 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 -2.18 -0.28 -0.50 3.77 0.00 -1.25 -2.58 120.51 117.50 2rng n ALA 68 Ca 0.12 0.00 0.44 0.00 0.00 0.00 0.00 53.44 53.99 2rng n ALA 68 Cb 0.98 0.00 0.78 0.00 0.00 0.00 0.00 19.45 21.21 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 0.21 0.48 0.00 3.04 -1.70 -0.81 116.25 117.46 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 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 29.49 2rng h VAL 69 CO 0.00 0.00 -0.23 0.00 -1.01 0.00 0.00 177.57 176.33 2rng n GLY 71 N -1.12 0.89 0.09 0.00 0.00 -0.31 -4.46 105.19 100.28 2rng n GLY 71 Ca -0.08 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.12 0.00 1.61 3.08 -1.90 -3.44 114.38 113.61 2rng h ARG 72 Ca 0.00 0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.83 2rng h ARG 72 Cb 0.00 0.03 0.09 0.00 0.08 0.00 0.00 29.97 30.17 2rng h ARG 72 CO 0.00 -0.05 0.22 0.66 -1.07 0.00 0.00 179.97 179.73 2rng n TYR 73 N -5.13 -4.00 -4.76 3.04 4.01 -1.26 -4.99 117.16 104.08 2rng n TYR 73 Ca -0.08 -0.62 -0.28 0.00 -0.16 0.00 0.00 57.90 56.76 2rng n TYR 73 Cb 0.09 -0.54 -0.14 0.00 -0.31 0.00 0.00 39.34 38.44 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 -2.53 2.07 -0.81 -0.72 0.08 -0.80 -4.76 117.98 110.51 2rng s PHE 74 Ca 0.40 -0.39 -0.25 0.00 0.12 0.00 0.00 56.93 56.80 2rng s PHE 74 Cb -0.01 -1.23 0.05 0.00 -0.57 0.00 0.00 43.02 41.25 2rng s PHE 74 CO 0.28 0.12 1.27 0.00 -0.10 0.00 0.00 175.22 176.79 2rng n ARG 77 N -3.03 0.77 -3.83 0.00 1.74 -0.90 -2.17 116.66 109.23 2rng n ARG 77 Ca 0.07 -2.56 -0.32 0.00 -0.77 0.00 0.00 57.85 54.26 2rng n ARG 77 Cb 0.57 2.60 -0.11 0.00 -1.02 0.00 0.00 32.46 34.49 2rng n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2rng s SER 78 N -3.06 4.87 0.00 0.55 1.04 -1.26 -2.01 113.70 113.84 2rng s SER 78 Ca 0.25 -3.20 0.00 0.00 0.48 0.00 0.00 55.95 53.48 2rng s SER 78 Cb -0.02 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2rng s SER 78 CO 0.18 -0.24 0.34 -1.14 0.98 0.00 0.00 173.24 173.36