#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gyc n LEU 8 N 0.00 -0.84 0.00 2.23 4.77 -1.14 -4.38 117.00 117.64 2gyc n LEU 8 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2gyc n LEU 8 Cb 0.00 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2gyc n LEU 8 CO 0.00 -1.30 -0.10 0.29 -1.33 0.00 0.00 177.39 174.95 2gyc n LYS 9 N 6.45 3.53 -3.46 3.23 5.02 -1.26 -4.99 118.16 126.68 2gyc n LYS 9 Ca 0.66 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.67 2gyc n LYS 9 Cb 0.13 -0.60 -0.11 0.00 -0.02 0.00 0.00 35.03 34.43 2gyc n LYS 9 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gyc s VAL 10 N -0.65 0.36 0.00 -0.18 1.01 -1.26 -4.96 120.40 114.71 2gyc s VAL 10 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 61.98 59.82 2gyc s VAL 10 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2gyc s VAL 10 CO 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 175.10 174.03 2gyc n LEU 11 N 3.54 0.00 0.00 3.92 -0.00 -1.26 -4.26 117.00 118.94 2gyc n LEU 11 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 2gyc n LEU 11 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2gyc n LEU 11 CO 0.13 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 178.06 2gyc n ARG 12 N -0.02 2.45 -1.63 1.47 5.12 0.57 -4.83 116.66 119.79 2gyc n ARG 12 Ca 0.00 0.00 -0.46 0.00 -1.93 0.00 0.00 57.85 55.46 2gyc n ARG 12 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 2gyc n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2gyc n ALA 13 N -3.00 0.27 -0.05 7.54 0.00 -1.26 -4.48 120.51 119.53 2gyc n ALA 13 Ca 0.00 0.43 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 2gyc n ALA 13 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.28 2gyc n ALA 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2gyc h PRO 14 N 3.63 -0.09 0.00 0.00 0.11 -1.91 -1.46 132.00 132.28 2gyc h PRO 14 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2gyc h PRO 14 Cb 1.31 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2gyc h PRO 14 CO 0.72 -0.06 0.00 -2.39 -0.21 0.00 0.00 178.00 176.06 2gyc n HIS 15 N -5.29 -0.20 -3.24 0.65 1.44 -1.26 -2.59 115.22 104.73 2gyc n HIS 15 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2gyc n HIS 15 Cb 0.20 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.31 2gyc n HIS 15 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2gyc n VAL 16 N 0.00 0.00 0.00 0.61 0.31 -1.26 -5.08 118.33 112.91 2gyc n VAL 16 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2gyc n VAL 16 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2gyc n VAL 16 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2gyc n SER 17 N -0.44 0.00 -4.55 4.52 7.64 -1.26 -4.07 113.62 115.47 2gyc n SER 17 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2gyc n SER 17 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2gyc n SER 17 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2gyc n GLU 18 N 0.00 0.83 0.00 1.43 -0.58 -1.26 -2.15 120.64 118.91 2gyc n GLU 18 Ca 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2gyc n GLU 18 Cb 0.00 -3.29 0.00 0.00 -0.57 0.00 0.00 31.44 27.58 2gyc n GLU 18 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2gyc n LYS 19 N 8.84 0.00 -0.06 3.49 4.81 -1.26 -4.86 118.16 129.13 2gyc n LYS 19 Ca 0.42 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.98 2gyc n LYS 19 Cb 0.47 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.68 2gyc n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gyc n ALA 20 N 0.00 2.46 -0.09 3.14 0.00 -1.07 -4.06 120.51 120.89 2gyc n ALA 20 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 2gyc n ALA 20 Cb 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 2gyc n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gyc n SER 21 N 1.31 0.46 0.18 0.00 3.41 -0.91 -4.11 113.62 113.96 2gyc n SER 21 Ca 0.16 0.06 0.16 0.00 -0.26 0.00 0.00 58.87 59.00 2gyc n SER 21 Cb 0.58 0.59 0.79 0.00 -0.26 0.00 0.00 64.21 65.91 2gyc n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gyc h THR 22 N 0.00 0.58 -1.76 6.66 1.03 -1.81 -3.38 112.91 114.24 2gyc h THR 22 Ca -0.50 0.00 -0.46 0.00 -0.01 0.00 0.00 66.41 65.43 2gyc h THR 22 Cb 2.16 0.85 0.06 0.00 -1.07 0.00 0.00 68.15 70.14 2gyc h THR 22 CO 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 175.52 175.53 2gyc s ALA 23 N -4.75 4.09 0.00 0.00 0.00 -1.26 -4.29 121.76 115.55 2gyc s ALA 23 Ca -0.05 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.13 2gyc s ALA 23 Cb 0.16 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2gyc s ALA 23 CO 0.59 -1.08 0.00 -1.33 0.00 0.00 0.00 175.76 173.94 2gyc n MET 24 N -2.51 0.00 0.00 0.00 2.81 -1.02 -4.81 117.12 111.59 2gyc n MET 24 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2gyc n MET 24 Cb 0.61 -2.55 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 2gyc n MET 24 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2gyc n GLU 25 N -1.49 0.00 0.00 0.03 0.28 -1.26 -3.71 120.64 114.48 2gyc n GLU 25 Ca 0.00 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 2gyc n GLU 25 Cb 0.00 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 31.69 2gyc n GLU 25 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2gyc n LYS 26 N -1.30 2.45 -2.51 3.44 4.01 -1.26 -2.48 118.16 120.50 2gyc n LYS 26 Ca 0.00 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.37 2gyc n LYS 26 Cb 0.00 -0.82 -0.02 0.00 -0.51 0.00 0.00 35.03 33.68 2gyc n LYS 26 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2gyc s SER 27 N -2.00 6.78 -0.85 4.39 0.01 -1.26 -4.90 113.70 115.87 2gyc s SER 27 Ca 0.00 1.14 -0.21 0.00 1.31 0.00 0.00 55.95 58.19 2gyc s SER 27 Cb 0.00 -2.54 -0.21 0.00 0.21 0.00 0.00 66.02 63.48 2gyc s SER 27 CO 0.00 -0.99 2.38 0.59 0.41 0.00 0.00 173.24 175.62 2gyc n ASN 28 N 7.29 0.53 -3.55 2.44 5.03 -1.26 -3.35 115.26 122.39 2gyc n ASN 28 Ca 0.14 -0.73 -0.14 0.00 0.87 0.00 0.00 54.58 54.71 2gyc n ASN 28 Cb 0.47 -1.15 -0.05 0.00 -1.02 0.00 0.00 39.78 38.03 2gyc n ASN 28 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2gyc s THR 29 N 8.47 0.00 -0.03 3.41 2.01 -1.26 -1.13 115.64 127.11 2gyc s THR 29 Ca 1.14 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 63.12 2gyc s THR 29 Cb -0.57 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 70.95 2gyc s THR 29 CO 0.34 0.00 0.07 -0.63 -0.69 0.00 0.00 174.62 173.72 2gyc s ILE 30 N -1.19 -0.01 0.05 1.82 -1.09 0.16 -2.42 121.20 118.51 2gyc s ILE 30 Ca -0.06 0.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 2gyc s ILE 30 Cb -0.00 -0.11 -0.04 0.00 -1.58 0.00 0.00 42.46 40.73 2gyc s ILE 30 CO 0.05 0.01 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.01 2gyc s VAL 31 N 0.17 3.56 -0.30 2.92 1.01 -1.26 -1.90 120.40 124.60 2gyc s VAL 31 Ca -0.01 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 2gyc s VAL 31 Cb -0.02 -2.60 0.18 0.00 0.00 0.00 0.00 36.38 33.94 2gyc s VAL 31 CO -0.00 0.27 1.14 -0.22 0.00 0.00 0.00 175.10 176.29 2gyc s LEU 32 N -1.77 -0.31 0.62 3.92 0.20 -1.07 -4.46 118.68 115.82 2gyc s LEU 32 Ca 0.19 0.43 -0.18 0.00 0.69 0.00 0.00 54.13 55.27 2gyc s LEU 32 Cb -0.11 1.36 -0.02 0.00 -0.43 0.00 0.00 46.19 46.99 2gyc s LEU 32 CO 0.11 -0.06 1.20 -0.54 -0.29 0.00 0.00 176.35 176.76 2gyc s LYS 33 N 2.16 2.82 0.13 1.98 1.02 -0.55 -3.28 119.74 124.02 2gyc s LYS 33 Ca -0.02 1.77 -0.12 0.00 0.02 0.00 0.00 55.97 57.63 2gyc s LYS 33 Cb -0.03 -1.92 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 2gyc s LYS 33 CO -0.16 -1.31 0.33 0.14 -0.92 0.00 0.00 175.35 173.42 2gyc s VAL 34 N -1.73 0.08 1.12 3.17 -7.23 -1.26 0.21 120.40 114.76 2gyc s VAL 34 Ca 0.76 -0.98 -0.13 0.00 -1.81 0.00 0.00 61.98 59.82 2gyc s VAL 34 Cb -0.29 -1.44 0.24 0.00 0.56 0.00 0.00 36.38 35.45 2gyc s VAL 34 CO 0.36 -0.38 0.92 0.00 -0.31 0.00 0.00 175.10 175.68 2gyc n ALA 35 N -0.19 -2.65 0.06 1.32 0.00 -1.26 -0.61 120.51 117.18 2gyc n ALA 35 Ca -0.13 -1.06 -0.22 0.00 0.00 0.00 0.00 53.44 52.03 2gyc n ALA 35 Cb 0.63 -1.98 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 2gyc n ALA 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2gyc h LYS 36 N -2.45 0.35 0.00 0.00 -0.00 -1.89 0.24 116.57 112.82 2gyc h LYS 36 Ca -0.57 -0.60 0.00 0.00 -0.00 0.00 0.00 60.65 59.48 2gyc h LYS 36 Cb 1.32 0.22 0.00 0.00 -0.00 0.00 0.00 32.23 33.78 2gyc h LYS 36 CO 0.46 1.29 0.00 -0.40 -0.00 0.00 0.00 179.45 180.80 2gyc n ASP 37 N -3.82 0.00 -4.60 7.07 5.75 -1.26 -4.53 116.55 115.16 2gyc n ASP 37 Ca -0.22 0.20 -0.43 0.00 -0.01 0.00 0.00 54.79 54.34 2gyc n ASP 37 Cb 0.98 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.84 2gyc n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gyc s ALA 38 N -2.40 3.07 0.00 2.12 0.00 -1.24 -4.98 121.76 118.33 2gyc s ALA 38 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2gyc s ALA 38 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2gyc s ALA 38 CO 0.00 -2.38 0.00 -2.37 0.00 0.00 0.00 175.76 171.01 2gyc n THR 39 N 6.97 0.00 0.31 0.00 5.66 -1.26 -4.75 114.28 121.21 2gyc n THR 39 Ca 0.14 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.20 2gyc n THR 39 Cb 0.49 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.19 2gyc n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2gyc n LYS 40 N 0.00 2.17 -0.14 1.09 4.01 -1.26 -4.58 118.16 119.44 2gyc n LYS 40 Ca 0.00 -0.04 -0.05 0.00 -0.51 0.00 0.00 58.31 57.71 2gyc n LYS 40 Cb 0.00 -1.12 0.04 0.00 -0.51 0.00 0.00 35.03 33.44 2gyc n LYS 40 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2gyc h ALA 41 N 1.35 0.53 -3.00 7.82 0.00 -1.98 -3.44 119.26 120.53 2gyc h ALA 41 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gyc h ALA 41 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2gyc h ALA 41 CO 0.00 -0.20 0.00 -0.85 0.00 0.00 0.00 179.25 178.20 2gyc n GLU 42 N -4.98 2.81 -1.20 0.00 0.00 -1.26 -4.07 120.64 111.95 2gyc n GLU 42 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.10 2gyc n GLU 42 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.55 2gyc n GLU 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2gyc n ILE 43 N 0.00 0.00 -1.09 3.84 2.08 -1.26 -4.07 119.36 118.85 2gyc n ILE 43 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2gyc n ILE 43 Cb 0.00 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 2gyc n ILE 43 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 2gyc n LYS 44 N -0.54 0.00 -3.09 0.38 2.85 -1.26 -4.77 118.16 111.72 2gyc n LYS 44 Ca -0.09 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.01 2gyc n LYS 44 Cb 0.53 -0.02 -0.02 0.00 -0.65 0.00 0.00 35.03 34.88 2gyc n LYS 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gyc n ALA 45 N 0.00 2.25 0.00 0.58 0.00 -1.26 -4.65 120.51 117.43 2gyc n ALA 45 Ca 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.09 2gyc n ALA 45 Cb 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2gyc n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gyc n ALA 46 N 0.22 0.00 -2.48 0.00 0.00 -1.26 -2.46 120.51 114.52 2gyc n ALA 46 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 2gyc n ALA 46 Cb 0.69 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 2gyc n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gyc s VAL 47 N -0.03 1.21 0.00 0.00 -7.23 -1.26 -2.88 120.40 110.20 2gyc s VAL 47 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2gyc s VAL 47 Cb 0.00 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.19 2gyc s VAL 47 CO 0.00 0.00 0.00 1.67 -0.31 0.00 0.00 175.10 176.46 2gyc n GLN 48 N -0.76 0.00 0.07 4.82 7.27 -1.26 -4.47 117.38 123.05 2gyc n GLN 48 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.01 2gyc n GLN 48 Cb 0.66 -1.73 -0.01 0.00 2.41 0.00 0.00 30.24 31.58 2gyc n GLN 48 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2gyc h LYS 49 N 0.22 -0.18 -0.01 3.69 3.11 -1.84 -3.38 116.57 118.18 2gyc h LYS 49 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2gyc h LYS 49 Cb 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 2gyc h LYS 49 CO 0.00 -0.12 -0.18 1.28 -2.81 0.00 0.00 179.45 177.62 2gyc n LEU 50 N -2.87 1.56 0.00 5.20 4.32 -1.26 -4.47 117.00 119.48 2gyc n LEU 50 Ca -0.02 -0.83 0.02 0.00 -0.02 0.00 0.00 56.01 55.16 2gyc n LEU 50 Cb 0.08 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.02 2gyc n LEU 50 CO 0.06 0.30 0.33 0.49 -1.22 0.00 0.00 177.39 177.35 2gyc n PHE 51 N 0.06 0.00 -3.61 -1.77 3.72 -1.26 -4.80 117.46 109.79 2gyc n PHE 51 Ca 0.06 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.25 2gyc n PHE 51 Cb 0.27 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.86 2gyc n PHE 51 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2gyc n GLU 52 N -0.74 -5.10 -3.63 -1.08 4.07 -1.26 -4.13 120.64 108.77 2gyc n GLU 52 Ca 0.04 0.68 -0.05 0.00 -0.06 0.00 0.00 57.16 57.77 2gyc n GLU 52 Cb 0.02 -5.35 -0.06 0.00 -0.06 0.00 0.00 31.44 25.99 2gyc n GLU 52 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2gyc s VAL 53 N -3.57 0.00 -0.09 6.31 0.11 -1.26 -4.54 120.40 117.36 2gyc s VAL 53 Ca 0.04 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 2gyc s VAL 53 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2gyc s VAL 53 CO 0.79 0.00 0.21 -0.70 -3.33 0.00 0.00 175.10 172.07 2gyc s GLU 54 N -0.53 3.61 0.08 1.54 2.12 -1.26 -4.08 118.70 120.18 2gyc s GLU 54 Ca 0.06 0.01 0.06 0.00 0.36 0.00 0.00 54.97 55.46 2gyc s GLU 54 Cb -0.03 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 2gyc s GLU 54 CO -0.09 0.73 -0.16 0.14 -0.54 0.00 0.00 175.26 175.34 2gyc s VAL 55 N -0.95 1.25 0.14 3.70 -7.23 -1.26 -0.25 120.40 115.80 2gyc s VAL 55 Ca 0.17 -1.34 -0.04 0.00 -1.81 0.00 0.00 61.98 58.96 2gyc s VAL 55 Cb -0.13 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 2gyc s VAL 55 CO 0.06 -0.17 0.37 -0.70 -0.31 0.00 0.00 175.10 174.35 2gyc s GLU 56 N -1.74 3.60 0.00 4.82 2.12 0.96 -4.92 118.70 123.55 2gyc s GLU 56 Ca 0.00 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2gyc s GLU 56 Cb -0.10 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2gyc s GLU 56 CO 0.03 0.47 0.00 1.33 -0.54 0.00 0.00 175.26 176.54 2gyc n VAL 57 N 0.03 0.00 -3.07 3.70 0.24 -1.26 -1.95 118.33 116.01 2gyc n VAL 57 Ca -0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.88 2gyc n VAL 57 Cb 0.52 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 2gyc n VAL 57 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2gyc s VAL 58 N 0.00 4.71 -0.10 3.34 1.01 -1.26 -4.52 120.40 123.58 2gyc s VAL 58 Ca 0.00 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 2gyc s VAL 58 Cb 0.00 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.37 2gyc s VAL 58 CO 0.00 0.43 -0.01 0.20 0.00 0.00 0.00 175.10 175.72 2gyc s ASN 59 N -0.40 1.94 -0.48 3.32 -0.87 -1.18 -5.10 114.94 112.16 2gyc s ASN 59 Ca 0.35 -0.26 -0.00 0.00 -1.57 0.00 0.00 52.86 51.38 2gyc s ASN 59 Cb -0.20 -0.55 0.13 0.00 -0.02 0.00 0.00 41.25 40.61 2gyc s ASN 59 CO 0.22 -0.20 0.26 0.42 -2.57 0.00 0.00 177.10 175.22 2gyc s THR 60 N 1.90 3.08 0.70 1.60 -4.23 -1.26 -2.63 115.64 114.80 2gyc s THR 60 Ca 0.04 -2.63 -0.11 0.00 -1.18 0.00 0.00 61.69 57.81 2gyc s THR 60 Cb -0.13 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.61 2gyc s THR 60 CO -0.06 -0.75 1.07 -0.76 -0.54 0.00 0.00 174.62 173.58 2gyc s LEU 61 N 0.46 2.97 0.05 4.79 2.01 -1.24 -4.74 118.68 122.97 2gyc s LEU 61 Ca 0.13 1.32 -0.03 0.00 0.01 0.00 0.00 54.13 55.57 2gyc s LEU 61 Cb -0.22 -4.17 -0.03 0.00 0.01 0.00 0.00 46.19 41.79 2gyc s LEU 61 CO -0.04 -1.35 0.02 -0.69 1.01 0.00 0.00 176.35 175.30 2gyc s VAL 62 N -3.22 0.18 0.21 -1.59 1.01 -1.26 -4.35 120.40 111.38 2gyc s VAL 62 Ca 0.58 -1.45 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 2gyc s VAL 62 Cb -0.12 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.14 2gyc s VAL 62 CO 0.53 -0.80 0.71 0.54 0.00 0.00 0.00 175.10 176.09 2gyc s VAL 63 N -3.24 0.00 -0.29 2.92 0.11 -1.26 -4.91 120.40 113.72 2gyc s VAL 63 Ca 0.01 -0.59 -0.25 0.00 -2.93 0.00 0.00 61.98 58.22 2gyc s VAL 63 Cb 0.03 -1.62 0.18 0.00 -1.53 0.00 0.00 36.38 33.44 2gyc s VAL 63 CO -0.08 0.00 1.35 -1.59 -3.33 0.00 0.00 175.10 171.46 2gyc s LYS 64 N -3.76 0.16 0.00 1.54 0.00 -1.26 -4.27 119.74 112.15 2gyc s LYS 64 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 55.97 56.23 2gyc s LYS 64 Cb -0.04 0.08 0.00 0.00 0.00 0.00 0.00 37.83 37.87 2gyc s LYS 64 CO -0.01 -0.02 0.00 0.41 0.00 0.00 0.00 175.35 175.73 2gyc n GLY 65 N 1.72 0.97 3.78 0.59 0.00 -1.26 -4.85 105.19 106.14 2gyc n GLY 65 Ca -0.11 -0.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 2gyc n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gyc s LYS 66 N 0.74 1.46 0.00 1.61 2.47 -1.26 -4.89 119.74 119.87 2gyc s LYS 66 Ca 0.00 -0.79 0.00 0.00 -1.56 0.00 0.00 55.97 53.62 2gyc s LYS 66 Cb 0.00 0.51 0.00 0.00 -1.46 0.00 0.00 37.83 36.88 2gyc s LYS 66 CO 0.00 -0.67 0.00 0.28 0.16 0.00 0.00 175.35 175.12 2gyc n VAL 67 N -0.45 0.00 -4.28 4.02 0.31 -1.26 -4.62 118.33 112.04 2gyc n VAL 67 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2gyc n VAL 67 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 2gyc n VAL 67 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2gyc n LYS 68 N -0.27 0.00 0.00 5.55 0.00 -1.26 -4.88 118.16 117.30 2gyc n LYS 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2gyc n LYS 68 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2gyc n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2gyc n ARG 69 N 6.36 0.00 -3.73 1.64 0.63 -1.26 -4.67 116.66 115.63 2gyc n ARG 69 Ca 0.00 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 2gyc n ARG 69 Cb 0.00 -0.15 -0.06 0.00 0.45 0.00 0.00 32.46 32.71 2gyc n ARG 69 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2gyc n HIS 70 N -0.31 -0.23 -3.69 -0.14 8.25 -1.26 -5.13 115.22 112.71 2gyc n HIS 70 Ca 0.00 -2.02 -0.38 0.00 -0.26 0.00 0.00 57.72 55.06 2gyc n HIS 70 Cb 0.00 0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.10 2gyc n HIS 70 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2gyc s GLY 71 N -2.80 1.92 -0.02 -1.41 0.00 -1.26 -4.89 107.32 98.87 2gyc s GLY 71 Ca 0.22 -2.07 -0.02 0.00 0.00 0.00 0.00 44.72 42.85 2gyc s GLY 71 CO 0.16 0.90 0.04 -0.18 0.00 0.00 0.00 173.10 174.02 2gyc n GLN 72 N 4.81 -5.19 -3.47 2.90 -0.06 -1.26 -5.08 117.38 110.04 2gyc n GLN 72 Ca -0.10 3.78 0.00 0.00 -2.00 0.00 0.00 57.00 58.68 2gyc n GLN 72 Cb 0.43 -4.86 0.00 0.00 -4.06 0.00 0.00 30.24 21.76 2gyc n GLN 72 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2gyc n ARG 73 N 1.84 -0.59 -3.58 3.69 -4.01 -1.26 -5.05 116.66 107.69 2gyc n ARG 73 Ca -0.08 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.41 2gyc n ARG 73 Cb 0.12 0.00 -0.07 0.00 -3.04 0.00 0.00 32.46 29.46 2gyc n ARG 73 CO 0.00 0.00 0.00 -0.89 -3.04 0.00 0.00 177.63 173.70 2gyc n ILE 74 N 4.22 2.80 0.00 8.89 2.08 -1.26 -4.88 119.36 131.21 2gyc n ILE 74 Ca 0.00 -5.17 -0.18 0.00 0.56 0.00 0.00 62.75 57.95 2gyc n ILE 74 Cb 0.00 -2.24 -0.09 0.00 -0.75 0.00 0.00 39.64 36.56 2gyc n ILE 74 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2gyc h GLY 75 N 5.36 0.76 -1.55 7.39 0.00 -1.96 -3.47 103.07 109.61 2gyc h GLY 75 Ca 0.17 -1.19 -0.20 0.00 0.00 0.00 0.00 47.33 46.12 2gyc h GLY 75 CO 0.87 1.06 0.12 -0.96 0.00 0.00 0.00 176.54 177.63 2gyc n ARG 76 N -3.98 0.00 -3.96 4.80 1.85 -1.26 -4.67 116.66 109.44 2gyc n ARG 76 Ca -0.09 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.66 2gyc n ARG 76 Cb 0.77 -0.34 -0.03 0.00 -1.05 0.00 0.00 32.46 31.80 2gyc n ARG 76 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2gyc s ARG 77 N 0.50 1.78 -0.32 2.89 1.04 -1.26 -4.95 118.95 118.63 2gyc s ARG 77 Ca 0.23 -1.32 0.03 0.00 -1.04 0.00 0.00 55.73 53.63 2gyc s ARG 77 Cb -0.33 0.52 0.16 0.00 -2.04 0.00 0.00 34.95 33.26 2gyc s ARG 77 CO 0.17 -0.77 0.43 -1.54 -0.04 0.00 0.00 175.30 173.55 2gyc s SER 78 N -3.05 0.26 1.24 -2.89 1.04 -1.26 -4.45 113.70 104.59 2gyc s SER 78 Ca 0.21 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 2gyc s SER 78 Cb -0.02 1.13 0.19 0.00 0.10 0.00 0.00 66.02 67.41 2gyc s SER 78 CO 0.11 -0.31 0.42 0.47 0.98 0.00 0.00 173.24 174.91 2gyc n ASP 79 N 5.04 -3.08 -3.99 7.02 8.00 -1.26 -4.92 116.55 123.35 2gyc n ASP 79 Ca 0.04 -0.43 -0.09 0.00 0.71 0.00 0.00 54.79 55.02 2gyc n ASP 79 Cb 0.49 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 41.00 2gyc n ASP 79 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2gyc s TRP 80 N -1.54 0.30 -0.05 1.24 -2.14 -1.26 -4.56 118.94 110.93 2gyc s TRP 80 Ca 0.33 -0.61 -0.01 0.00 2.66 0.00 0.00 56.10 58.46 2gyc s TRP 80 Cb -0.06 -0.22 0.03 0.00 -3.10 0.00 0.00 33.47 30.12 2gyc s TRP 80 CO 0.27 -0.24 0.03 0.21 -2.66 0.00 0.00 176.95 174.57 2gyc s LYS 81 N -1.95 0.22 1.04 3.25 2.47 0.83 -4.79 119.74 120.80 2gyc s LYS 81 Ca -0.11 0.23 -0.21 0.00 -1.56 0.00 0.00 55.97 54.31 2gyc s LYS 81 Cb -0.06 -0.65 -0.06 0.00 -1.46 0.00 0.00 37.83 35.59 2gyc s LYS 81 CO -0.03 -0.28 -0.67 0.36 0.16 0.00 0.00 175.35 174.90 2gyc n LYS 82 N 5.01 -0.59 -3.85 4.03 -0.00 -1.23 -4.36 118.16 117.17 2gyc n LYS 82 Ca -0.09 -0.16 -0.12 0.00 -0.00 0.00 0.00 58.31 57.94 2gyc n LYS 82 Cb 0.50 -1.35 -0.12 0.00 -0.00 0.00 0.00 35.03 34.06 2gyc n LYS 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gyc s ALA 83 N -2.13 -0.27 -0.15 0.58 0.00 -1.21 -3.71 121.76 114.87 2gyc s ALA 83 Ca 0.46 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.30 2gyc s ALA 83 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2gyc s ALA 83 CO 0.69 -0.10 0.89 0.71 0.00 0.00 0.00 175.76 177.95 2gyc s TYR 84 N -0.42 3.45 -0.43 0.00 1.51 -1.08 -4.22 117.35 116.16 2gyc s TYR 84 Ca -0.05 1.37 0.02 0.00 -1.01 0.00 0.00 57.07 57.41 2gyc s TYR 84 Cb -0.03 -3.08 0.13 0.00 -0.11 0.00 0.00 41.96 38.87 2gyc s TYR 84 CO 0.00 -0.24 0.20 0.54 -1.11 0.00 0.00 175.55 174.95 2gyc s VAL 85 N 2.12 1.69 1.03 0.71 0.11 -0.80 -3.13 120.40 122.15 2gyc s VAL 85 Ca 0.42 -2.56 -0.15 0.00 -2.93 0.00 0.00 61.98 56.76 2gyc s VAL 85 Cb -0.17 -2.20 0.21 0.00 -1.53 0.00 0.00 36.38 32.69 2gyc s VAL 85 CO 0.14 -0.81 1.14 0.42 -3.33 0.00 0.00 175.10 172.66 2gyc s THR 86 N 0.43 1.87 -0.07 5.04 -4.23 -0.82 -0.67 115.64 117.19 2gyc s THR 86 Ca 0.16 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 2gyc s THR 86 Cb -0.23 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 70.98 2gyc s THR 86 CO -0.04 0.00 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.17 2gyc s LEU 87 N -6.41 1.60 0.81 4.79 1.02 -0.28 -0.03 118.68 120.18 2gyc s LEU 87 Ca 0.68 -0.29 -0.14 0.00 0.02 0.00 0.00 54.13 54.40 2gyc s LEU 87 Cb -0.13 -0.82 0.07 0.00 0.02 0.00 0.00 46.19 45.34 2gyc s LEU 87 CO 0.55 0.02 1.13 1.17 0.02 0.00 0.00 176.35 179.24 2gyc n LYS 88 N 3.93 0.19 -1.53 1.70 4.81 0.65 -4.40 118.16 123.51 2gyc n LYS 88 Ca -0.22 0.14 -0.38 0.00 -0.87 0.00 0.00 58.31 56.97 2gyc n LYS 88 Cb 0.51 -2.38 -0.08 0.00 0.02 0.00 0.00 35.03 33.11 2gyc n LYS 88 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2gyc n GLU 89 N -3.03 0.63 0.00 1.64 4.07 -1.26 -4.46 120.64 118.22 2gyc n GLU 89 Ca 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 2gyc n GLU 89 Cb 0.50 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.23 2gyc n GLU 89 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gyc n GLY 90 N 6.22 -0.08 3.10 8.31 0.00 -1.26 -5.07 105.19 116.42 2gyc n GLY 90 Ca 0.49 0.49 -0.20 0.00 0.00 0.00 0.00 46.02 46.80 2gyc n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gyc s GLN 91 N 1.26 0.90 -1.07 1.61 2.00 -1.26 -5.08 119.66 118.02 2gyc s GLN 91 Ca 0.00 -0.61 -0.22 0.00 -2.00 0.00 0.00 55.36 52.53 2gyc s GLN 91 Cb 0.00 -0.88 0.02 0.00 0.80 0.00 0.00 33.01 32.95 2gyc s GLN 91 CO 0.00 0.23 1.67 0.54 -0.50 0.00 0.00 175.29 177.23 2gyc s ASN 92 N -0.80 6.12 0.00 6.67 2.20 -1.26 -4.38 114.94 123.49 2gyc s ASN 92 Ca 0.02 -1.53 0.00 0.00 -0.94 0.00 0.00 52.86 50.41 2gyc s ASN 92 Cb -0.07 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.61 2gyc s ASN 92 CO 0.00 -1.87 0.00 0.00 -2.94 0.00 0.00 177.10 172.29 2gyc n LEU 93 N 10.47 0.00 0.00 3.54 -0.00 -1.26 -1.74 117.00 128.01 2gyc n LEU 93 Ca 0.39 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.70 2gyc n LEU 93 Cb 0.49 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2gyc n LEU 93 CO 0.67 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 177.39 2gyc n ASP 94 N -0.68 0.00 0.00 1.45 2.03 -1.26 -4.69 116.55 113.41 2gyc n ASP 94 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2gyc n ASP 94 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 2gyc n ASP 94 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2gyc n PHE 95 N 0.00 0.00 0.00 -0.67 -1.74 -0.71 -5.06 117.46 109.28 2gyc n PHE 95 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2gyc n PHE 95 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 2gyc n PHE 95 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2gyc n VAL 96 N 0.00 0.00 -0.67 1.97 0.31 -1.26 -4.77 118.33 113.91 2gyc n VAL 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2gyc n VAL 96 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2gyc n VAL 96 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gyc n GLY 97 N 0.25 -0.53 0.00 2.92 0.00 -1.26 -4.79 105.19 101.78 2gyc n GLY 97 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.33 2gyc n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93