#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya n LYS 3 N 0.00 0.61 -2.65 -1.58 4.76 -1.26 -4.82 118.16 113.22 2gya n LYS 3 Ca 0.00 0.14 -0.43 0.00 -2.87 0.00 0.00 58.31 55.15 2gya n LYS 3 Cb 0.00 -1.82 -0.02 0.00 -1.84 0.00 0.00 35.03 31.35 2gya n LYS 3 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2gya s VAL 4 N -3.27 4.39 -0.16 -0.18 -7.23 -1.26 -5.00 120.40 107.69 2gya s VAL 4 Ca -0.01 1.45 -0.13 0.00 -1.81 0.00 0.00 61.98 61.47 2gya s VAL 4 Cb 0.09 -4.49 0.05 0.00 0.56 0.00 0.00 36.38 32.59 2gya s VAL 4 CO 0.80 -0.71 0.42 -1.10 -0.31 0.00 0.00 175.10 174.19 2gya s GLN 5 N 3.97 0.47 0.34 4.82 -0.21 -1.26 -4.17 119.66 123.62 2gya s GLN 5 Ca 0.45 0.65 0.09 0.00 0.02 0.00 0.00 55.36 56.58 2gya s GLN 5 Cb -0.10 0.16 -0.06 0.00 1.00 0.00 0.00 33.01 34.01 2gya s GLN 5 CO 0.23 -0.09 -0.10 0.00 -2.12 0.00 0.00 175.29 173.21 2gya s ALA 6 N 0.57 2.94 -0.29 6.09 0.00 -1.26 -5.03 121.76 124.78 2gya s ALA 6 Ca -0.03 -2.09 -0.10 0.00 0.00 0.00 0.00 51.96 49.75 2gya s ALA 6 Cb -0.05 -0.04 0.12 0.00 0.00 0.00 0.00 23.12 23.16 2gya s ALA 6 CO -0.03 0.08 0.62 1.52 0.00 0.00 0.00 175.76 177.95 2gya s TYR 7 N -2.62 -1.26 0.00 0.00 1.13 -1.26 -3.06 117.35 110.28 2gya s TYR 7 Ca 0.32 2.22 0.00 0.00 -1.41 0.00 0.00 57.07 58.20 2gya s TYR 7 Cb 0.02 0.73 0.00 0.00 -1.10 0.00 0.00 41.96 41.62 2gya s TYR 7 CO 0.16 -0.64 0.00 1.55 -2.51 0.00 0.00 175.55 174.12 2gya n VAL 8 N 5.38 0.00 -3.60 -3.49 3.14 -1.23 -5.07 118.33 113.46 2gya n VAL 8 Ca -0.12 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.19 2gya n VAL 8 Cb 0.50 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.23 2gya n VAL 8 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2gya s LYS 9 N -0.81 0.39 0.00 1.45 2.47 -1.26 -4.73 119.74 117.25 2gya s LYS 9 Ca 0.00 0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.46 2gya s LYS 9 Cb 0.00 0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.55 2gya s LYS 9 CO 0.00 -0.13 0.00 1.28 0.16 0.00 0.00 175.35 176.66 2gya n LEU 10 N 0.52 0.00 -4.61 5.43 4.32 -1.26 -4.87 117.00 116.53 2gya n LEU 10 Ca -0.06 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.51 2gya n LEU 10 Cb 0.58 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.36 2gya n LEU 10 CO 0.12 0.00 1.43 -1.10 -1.22 0.00 0.00 177.39 176.62 2gya s GLN 11 N 0.18 3.59 -0.15 3.23 1.11 -1.26 -3.71 119.66 122.65 2gya s GLN 11 Ca 0.00 1.51 -0.00 0.00 0.01 0.00 0.00 55.36 56.88 2gya s GLN 11 Cb 0.00 -4.10 -0.01 0.00 -1.01 0.00 0.00 33.01 27.89 2gya s GLN 11 CO 0.00 -1.55 -0.13 0.14 0.01 0.00 0.00 175.29 173.76 2gya s VAL 12 N 5.93 2.93 -0.07 1.09 -7.23 -1.16 -4.88 120.40 117.01 2gya s VAL 12 Ca 0.74 -0.69 -0.34 0.00 -1.81 0.00 0.00 61.98 59.88 2gya s VAL 12 Cb -0.23 -2.24 -0.12 0.00 0.56 0.00 0.00 36.38 34.35 2gya s VAL 12 CO 0.32 0.51 1.87 0.00 -0.31 0.00 0.00 175.10 177.49 2gya n ALA 13 N 3.82 0.96 -1.53 1.32 0.00 -1.26 -3.83 120.51 119.99 2gya n ALA 13 Ca -0.18 0.29 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 2gya n ALA 13 Cb 0.52 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.38 2gya n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya n ALA 14 N 6.49 0.61 0.00 0.00 0.00 -1.24 -0.90 120.51 125.48 2gya n ALA 14 Ca 0.22 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2gya n ALA 14 Cb 0.30 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.86 2gya n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gya n GLY 15 N 6.23 1.12 3.87 0.00 0.00 -1.26 -4.80 105.19 110.35 2gya n GLY 15 Ca 0.50 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 2gya n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gya s MET 16 N 0.00 3.69 0.00 1.61 1.00 -0.07 -4.95 119.30 120.57 2gya s MET 16 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 55.69 55.78 2gya s MET 16 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 34.83 31.75 2gya s MET 16 CO 0.00 0.63 0.00 0.00 0.00 0.00 0.00 175.02 175.65 2gya n ALA 17 N 1.22 0.76 -1.61 3.03 0.00 -1.26 -4.60 120.51 118.05 2gya n ALA 17 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 2gya n ALA 17 Cb 0.53 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.11 2gya n ALA 17 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2gya s ASN 18 N 1.54 3.57 0.00 0.00 2.47 -1.26 -4.32 114.94 116.94 2gya s ASN 18 Ca 0.00 0.88 0.00 0.00 0.42 0.00 0.00 52.86 54.16 2gya s ASN 18 Cb 0.00 -1.39 0.00 0.00 -1.45 0.00 0.00 41.25 38.41 2gya s ASN 18 CO 0.00 -2.50 0.00 -0.81 -3.72 0.00 0.00 177.10 170.07 2gya n PRO 19 N -3.72 2.25 0.07 0.43 -0.04 -1.26 -4.95 135.00 127.78 2gya n PRO 19 Ca 0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2gya n PRO 19 Cb 0.60 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.01 2gya n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gya h SER 20 N 0.00 -0.79 -3.58 3.54 4.64 -1.89 -3.34 113.55 112.14 2gya h SER 20 Ca 0.00 0.08 -0.52 0.00 -0.47 0.00 0.00 61.79 60.88 2gya h SER 20 Cb 0.00 0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2gya h SER 20 CO 0.00 -0.29 0.30 -2.16 -0.87 0.00 0.00 176.83 173.81 2gya s PRO 21 N -4.40 4.68 0.14 4.77 0.04 -1.26 0.16 135.00 139.13 2gya s PRO 21 Ca -0.08 1.35 0.25 0.00 0.04 0.00 0.00 61.00 62.56 2gya s PRO 21 Cb 0.03 -3.34 0.46 0.00 0.04 0.00 0.00 34.50 31.69 2gya s PRO 21 CO 0.30 0.34 1.43 -0.35 0.04 0.00 0.00 177.00 178.76 2gya n PRO 22 N 2.35 0.28 -3.54 0.56 -0.04 -1.26 -4.92 135.00 128.43 2gya n PRO 22 Ca -0.01 0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 63.17 2gya n PRO 22 Cb 0.49 -1.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 2gya n PRO 22 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gya s VAL 23 N -3.15 4.82 0.00 0.52 1.01 0.28 -4.78 120.40 119.10 2gya s VAL 23 Ca 0.07 -3.41 0.00 0.00 0.00 0.00 0.00 61.98 58.64 2gya s VAL 23 Cb 0.13 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2gya s VAL 23 CO 0.69 -1.07 0.00 0.61 0.00 0.00 0.00 175.10 175.33 2gya n GLY 24 N 2.84 1.69 0.29 4.51 0.00 0.41 -4.29 105.19 110.65 2gya n GLY 24 Ca 0.19 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2gya n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2gya h PRO 25 N 0.00 0.00 -6.51 1.61 0.11 -1.90 -3.28 132.00 122.03 2gya h PRO 25 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 2gya h PRO 25 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 2gya h PRO 25 CO 0.00 0.00 0.59 0.00 -0.21 0.00 0.00 178.00 178.38 2gya s ALA 26 N -3.85 3.43 -0.94 -0.75 0.00 -1.26 -1.81 121.76 116.57 2gya s ALA 26 Ca -0.02 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 2gya s ALA 26 Cb 0.06 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2gya s ALA 26 CO 0.19 -0.46 0.03 1.28 0.00 0.00 0.00 175.76 176.80 2gya n LEU 27 N 3.79 -1.03 0.00 0.00 4.32 -1.26 -4.65 117.00 118.17 2gya n LEU 27 Ca 0.09 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 2gya n LEU 27 Cb 0.46 -2.01 0.00 0.00 -1.62 0.00 0.00 43.42 40.25 2gya n LEU 27 CO 0.56 -0.10 -0.18 0.61 -1.22 0.00 0.00 177.39 177.06 2gya n GLY 28 N -0.79 0.32 0.18 -0.72 0.00 -0.94 -4.37 105.19 98.89 2gya n GLY 28 Ca -0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2gya n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gya n GLN 29 N -0.70 1.69 0.00 1.61 1.13 -0.75 -4.49 117.38 115.86 2gya n GLN 29 Ca 0.00 -2.51 0.05 0.00 -1.94 0.00 0.00 57.00 52.60 2gya n GLN 29 Cb 0.00 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 28.88 2gya n GLN 29 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2gya n GLN 30 N -1.20 0.98 0.00 -1.09 6.02 -1.26 -4.98 117.38 115.85 2gya n GLN 30 Ca 0.15 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.24 2gya n GLN 30 Cb 0.64 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.76 2gya n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gya n GLY 31 N 0.65 4.16 3.85 1.08 0.00 -1.26 -4.80 105.19 108.87 2gya n GLY 31 Ca 0.05 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 2gya n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gya s VAL 32 N 0.00 4.86 0.16 1.61 0.11 -1.25 -4.75 120.40 121.13 2gya s VAL 32 Ca 0.00 0.74 0.03 0.00 -2.93 0.00 0.00 61.98 59.82 2gya s VAL 32 Cb 0.00 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 2gya s VAL 32 CO 0.00 0.10 0.25 0.21 -3.33 0.00 0.00 175.10 172.33 2gya s ASN 33 N -1.98 6.13 -0.46 3.54 3.04 -1.26 -3.34 114.94 120.61 2gya s ASN 33 Ca 0.43 0.09 0.03 0.00 0.04 0.00 0.00 52.86 53.44 2gya s ASN 33 Cb -0.13 -1.79 0.63 0.00 -1.54 0.00 0.00 41.25 38.42 2gya s ASN 33 CO 0.20 0.05 1.90 0.00 -3.04 0.00 0.00 177.10 176.21 2gya n ILE 34 N -0.55 3.18 -0.00 -5.21 0.00 -1.26 -4.36 119.36 111.15 2gya n ILE 34 Ca -0.07 -1.95 -0.00 0.00 0.00 0.00 0.00 62.75 60.72 2gya n ILE 34 Cb 0.54 -0.55 -0.00 0.00 0.00 0.00 0.00 39.64 39.63 2gya n ILE 34 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2gya h MET 35 N 1.06 0.00 0.00 9.51 4.05 -1.99 -3.45 114.93 124.12 2gya h MET 35 Ca 0.62 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.04 2gya h MET 35 Cb 2.63 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 33.43 2gya h MET 35 CO 1.12 0.00 0.00 0.39 0.23 0.00 0.00 176.91 178.65 2gya n GLU 36 N -2.31 2.12 0.00 0.39 -0.58 -1.26 -4.19 120.64 114.81 2gya n GLU 36 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2gya n GLU 36 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.88 2gya n GLU 36 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2gya n PHE 37 N 0.00 0.00 -0.08 -0.32 -0.00 -1.26 -4.60 117.46 111.20 2gya n PHE 37 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 2gya n PHE 37 Cb 0.00 -0.37 -0.05 0.00 -0.00 0.00 0.00 39.48 39.06 2gya n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2gya n LYS 39 N -4.56 1.04 -0.41 0.00 3.00 -1.26 -2.06 118.16 113.90 2gya n LYS 39 Ca -0.15 -0.05 0.06 0.00 -0.00 0.00 0.00 58.31 58.17 2gya n LYS 39 Cb 0.39 -1.11 0.20 0.00 0.00 0.00 0.00 35.03 34.51 2gya n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gya n ALA 40 N -0.37 3.12 0.00 3.14 0.00 -1.25 -4.29 120.51 120.86 2gya n ALA 40 Ca 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.67 2gya n ALA 40 Cb 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2gya n ALA 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gya n PHE 41 N -1.08 -0.06 -1.07 0.00 7.35 -0.88 -4.84 117.46 116.89 2gya n PHE 41 Ca 0.21 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.68 2gya n PHE 41 Cb 0.80 0.49 0.04 0.00 0.35 0.00 0.00 39.48 41.15 2gya n PHE 41 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2gya n ASN 42 N -2.47 6.75 -0.24 -2.13 0.23 -0.97 -2.34 115.26 114.09 2gya n ASN 42 Ca 0.00 -3.24 0.00 0.00 -0.53 0.00 0.00 54.58 50.81 2gya n ASN 42 Cb 0.00 -1.06 0.00 0.00 -2.08 0.00 0.00 39.78 36.64 2gya n ASN 42 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gya n ALA 43 N 0.13 1.48 0.00 -2.53 0.00 -1.26 -4.82 120.51 113.51 2gya n ALA 43 Ca 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2gya n ALA 43 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2gya n ALA 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2gya n LYS 44 N 0.00 0.23 -2.04 0.00 3.00 -1.19 -4.81 118.16 113.36 2gya n LYS 44 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 2gya n LYS 44 Cb 0.53 -0.53 0.01 0.00 0.00 0.00 0.00 35.03 35.05 2gya n LYS 44 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2gya n THR 45 N -0.60 4.33 -3.81 3.15 -2.24 -0.99 -4.86 114.28 109.26 2gya n THR 45 Ca 0.00 -4.51 -0.29 0.00 -2.27 0.00 0.00 64.05 56.98 2gya n THR 45 Cb 0.03 -1.45 -0.16 0.00 -2.10 0.00 0.00 70.33 66.65 2gya n THR 45 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gya s ASP 46 N -0.79 3.36 0.00 3.42 2.15 -1.26 -4.64 116.67 118.91 2gya s ASP 46 Ca 0.50 -1.03 0.00 0.00 0.43 0.00 0.00 52.55 52.45 2gya s ASP 46 Cb 0.35 -0.83 0.00 0.00 -0.30 0.00 0.00 42.92 42.13 2gya s ASP 46 CO -0.29 -0.29 0.00 -1.54 -0.17 0.00 0.00 175.17 172.88 2gya n SER 47 N 4.89 0.00 0.00 -0.34 3.41 -1.26 -5.08 113.62 115.24 2gya n SER 47 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2gya n SER 47 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2gya n SER 47 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2gya n ILE 48 N 0.00 0.00 -3.43 -1.33 -0.00 -1.26 -5.08 119.36 108.25 2gya n ILE 48 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.36 2gya n ILE 48 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 39.54 2gya n ILE 48 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2gya s GLU 49 N 3.35 3.88 0.54 6.28 0.41 -1.26 -4.95 118.70 126.94 2gya s GLU 49 Ca 0.00 -0.16 0.27 0.00 -0.41 0.00 0.00 54.97 54.67 2gya s GLU 49 Cb 0.00 -3.70 1.42 0.00 -1.78 0.00 0.00 34.13 30.07 2gya s GLU 49 CO 0.00 -0.33 1.97 1.57 -0.49 0.00 0.00 175.26 177.99 2gya h LYS 50 N 8.29 0.00 -2.68 1.61 5.09 -1.94 -2.64 116.57 124.31 2gya h LYS 50 Ca -0.32 0.00 -0.78 0.00 0.09 0.00 0.00 60.65 59.64 2gya h LYS 50 Cb 1.16 0.00 -0.30 0.00 0.10 0.00 0.00 32.23 33.19 2gya h LYS 50 CO 0.64 0.00 0.64 0.41 -2.09 0.00 0.00 179.45 179.05 2gya n GLY 51 N -1.64 5.36 2.52 0.07 0.00 -1.26 -4.26 105.19 105.96 2gya n GLY 51 Ca 0.11 -2.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.18 2gya n GLY 51 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gya s LEU 52 N -3.11 0.68 -0.71 0.99 1.98 -1.00 -5.05 118.68 112.46 2gya s LEU 52 Ca 0.34 -1.66 -0.22 0.00 -2.89 0.00 0.00 54.13 49.70 2gya s LEU 52 Cb 0.10 -0.32 -0.17 0.00 0.66 0.00 0.00 46.19 46.46 2gya s LEU 52 CO 0.04 -0.38 1.90 -2.65 -1.89 0.00 0.00 176.35 173.38 2gya n PRO 53 N 4.71 1.40 -2.89 0.98 -0.02 -1.26 -3.62 135.00 134.30 2gya n PRO 53 Ca 0.02 -1.76 -0.41 0.00 -2.02 0.00 0.00 63.50 59.34 2gya n PRO 53 Cb 0.40 -2.86 -0.04 0.00 -0.02 0.00 0.00 33.50 30.98 2gya n PRO 53 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2gya s ILE 54 N 5.10 4.94 -0.74 4.25 -1.16 -1.25 -4.54 121.20 127.80 2gya s ILE 54 Ca 0.57 1.71 -0.25 0.00 -0.51 0.00 0.00 60.65 62.18 2gya s ILE 54 Cb 0.14 -4.16 0.05 0.00 0.61 0.00 0.00 42.46 39.10 2gya s ILE 54 CO 0.13 0.16 1.16 -2.16 -2.81 0.00 0.00 174.94 171.42 2gya s PRO 55 N 1.23 3.20 -0.08 3.50 0.04 -1.26 -2.96 135.00 138.67 2gya s PRO 55 Ca 0.43 -0.60 -0.29 0.00 0.04 0.00 0.00 61.00 60.58 2gya s PRO 55 Cb -0.18 -4.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.02 2gya s PRO 55 CO 0.20 -2.01 0.97 0.14 0.04 0.00 0.00 177.00 176.34 2gya s VAL 56 N 4.90 4.83 -0.05 -0.36 -7.23 -1.24 -4.48 120.40 116.76 2gya s VAL 56 Ca 0.31 1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 62.16 2gya s VAL 56 Cb -0.11 -4.29 -0.03 0.00 0.56 0.00 0.00 36.38 32.51 2gya s VAL 56 CO 0.10 0.06 1.22 0.54 -0.31 0.00 0.00 175.10 176.71 2gya s VAL 57 N 1.67 4.21 -0.05 1.32 0.11 -0.91 -4.51 120.40 122.24 2gya s VAL 57 Ca 0.48 1.54 0.01 0.00 -2.93 0.00 0.00 61.98 61.08 2gya s VAL 57 Cb -0.19 -3.99 0.02 0.00 -1.53 0.00 0.00 36.38 30.69 2gya s VAL 57 CO 0.20 -0.00 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.29 2gya s ILE 58 N 2.24 0.58 0.00 7.04 1.01 -1.26 -3.14 121.20 127.67 2gya s ILE 58 Ca 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.09 2gya s ILE 58 Cb -0.25 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2gya s ILE 58 CO 0.22 0.24 0.00 1.07 0.00 0.00 0.00 174.94 176.48 2gya n THR 59 N 4.21 0.00 0.00 2.92 5.66 -1.26 -3.50 114.28 122.31 2gya n THR 59 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2gya n THR 59 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2gya n THR 59 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2gya n VAL 60 N 0.00 0.00 -3.64 1.08 0.31 -1.17 -4.63 118.33 110.27 2gya n VAL 60 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2gya n VAL 60 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 2gya n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gya n TYR 61 N -0.23 -1.59 -0.81 3.52 4.11 -1.26 -3.35 117.16 117.55 2gya n TYR 61 Ca 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 57.90 56.78 2gya n TYR 61 Cb 0.00 0.55 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 2gya n TYR 61 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2gya n ALA 62 N -1.36 0.00 -0.86 -3.48 0.00 -1.26 -4.28 120.51 109.27 2gya n ALA 62 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2gya n ALA 62 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2gya n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gya n ASP 63 N 0.00 0.00 0.00 0.00 9.92 -1.26 -4.09 116.55 121.11 2gya n ASP 63 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2gya n ASP 63 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2gya n ASP 63 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2gya n ARG 64 N -1.21 0.00 0.00 -1.24 1.74 -1.26 -5.08 116.66 109.61 2gya n ARG 64 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2gya n ARG 64 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2gya n ARG 64 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2gya n SER 65 N -1.19 0.00 0.00 0.55 3.41 -1.26 -3.94 113.62 111.18 2gya n SER 65 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2gya n SER 65 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2gya n SER 65 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2gya n PHE 66 N -0.42 0.00 -3.80 7.33 -1.74 -1.21 -4.26 117.46 113.35 2gya n PHE 66 Ca 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.81 2gya n PHE 66 Cb 0.00 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.98 2gya n PHE 66 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2gya s THR 67 N -1.16 0.00 -0.09 1.97 2.01 -1.26 -4.94 115.64 112.17 2gya s THR 67 Ca 0.00 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 2gya s THR 67 Cb 0.00 -1.85 0.04 0.00 0.01 0.00 0.00 72.50 70.69 2gya s THR 67 CO 0.00 -0.01 0.41 -0.36 -0.69 0.00 0.00 174.62 173.98 2gya s PHE 68 N -3.90 -0.38 -0.29 4.92 0.08 -1.26 -4.56 117.98 112.58 2gya s PHE 68 Ca 0.10 0.82 0.04 0.00 0.12 0.00 0.00 56.93 58.01 2gya s PHE 68 Cb -0.05 0.17 0.20 0.00 -0.57 0.00 0.00 43.02 42.77 2gya s PHE 68 CO 0.04 -0.33 0.59 0.08 -0.10 0.00 0.00 175.22 175.49 2gya s VAL 69 N -0.52 -0.99 -0.66 -0.44 1.01 -1.19 -5.04 120.40 112.58 2gya s VAL 69 Ca -0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 2gya s VAL 69 Cb -0.03 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.40 2gya s VAL 69 CO 0.03 -0.01 1.04 0.28 0.00 0.00 0.00 175.10 176.44 2gya s THR 70 N 2.83 4.19 0.00 3.92 -1.32 -1.26 -2.14 115.64 121.86 2gya s THR 70 Ca 0.12 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2gya s THR 70 Cb -0.11 -4.72 0.00 0.00 -1.51 0.00 0.00 72.50 66.16 2gya s THR 70 CO -0.25 -1.49 0.00 1.17 -2.21 0.00 0.00 174.62 171.84 2gya n LYS 71 N 8.07 2.47 -4.45 7.08 3.00 -1.26 -5.05 118.16 128.02 2gya n LYS 71 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.10 2gya n LYS 71 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.35 2gya n LYS 71 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2gya s THR 72 N 0.00 0.84 0.00 3.15 -4.23 -1.26 -4.97 115.64 109.17 2gya s THR 72 Ca 0.00 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2gya s THR 72 Cb 0.00 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.12 2gya s THR 72 CO 0.00 0.25 0.00 -2.65 -0.54 0.00 0.00 174.62 171.68 2gya n PRO 73 N 3.03 0.00 -1.63 3.99 -0.02 -1.26 -5.02 135.00 134.09 2gya n PRO 73 Ca -0.16 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 60.84 2gya n PRO 73 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.99 2gya n PRO 73 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2gya n PRO 74 N 0.10 1.68 0.00 0.52 -0.04 -1.26 -5.01 135.00 130.99 2gya n PRO 74 Ca 0.00 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 2gya n PRO 74 Cb 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2gya n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gya n ALA 75 N 2.84 0.00 0.00 0.55 0.00 -1.26 -4.79 120.51 117.85 2gya n ALA 75 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2gya n ALA 75 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2gya n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya n ALA 76 N 0.00 0.00 -1.96 0.00 0.00 -1.26 -5.00 120.51 112.29 2gya n ALA 76 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2gya n ALA 76 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2gya n ALA 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gya s VAL 77 N 0.00 2.89 0.00 0.00 -7.23 -1.26 -2.86 120.40 111.95 2gya s VAL 77 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 2gya s VAL 77 Cb 0.00 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.70 2gya s VAL 77 CO 0.00 -0.28 0.00 0.18 -0.31 0.00 0.00 175.10 174.69 2gya n LEU 78 N -2.91 0.00 -0.09 1.32 7.99 -1.26 -4.44 117.00 117.61 2gya n LEU 78 Ca 0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.95 2gya n LEU 78 Cb 0.59 -0.27 -0.15 0.00 -0.11 0.00 0.00 43.42 43.48 2gya n LEU 78 CO 0.54 0.00 -1.10 0.18 -1.51 0.00 0.00 177.39 175.51 2gya n LEU 79 N 0.00 0.76 -0.04 2.23 7.99 -1.21 -3.48 117.00 123.25 2gya n LEU 79 Ca 0.00 0.04 -0.10 0.00 -0.01 0.00 0.00 56.01 55.94 2gya n LEU 79 Cb 0.00 0.14 -0.14 0.00 -0.11 0.00 0.00 43.42 43.30 2gya n LEU 79 CO 0.00 0.58 -0.70 0.29 -1.51 0.00 0.00 177.39 176.05 2gya n LYS 80 N -2.91 0.65 -1.16 3.23 4.76 -1.13 -3.95 118.16 117.65 2gya n LYS 80 Ca -0.33 0.23 -0.27 0.00 -2.87 0.00 0.00 58.31 55.07 2gya n LYS 80 Cb 1.11 -1.72 0.06 0.00 -1.84 0.00 0.00 35.03 32.63 2gya n LYS 80 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2gya n LYS 81 N -3.02 2.28 0.00 1.97 3.00 -1.26 -2.02 118.16 119.11 2gya n LYS 81 Ca -0.22 -2.49 0.00 0.00 -0.00 0.00 0.00 58.31 55.60 2gya n LYS 81 Cb 1.07 -1.98 0.00 0.00 0.00 0.00 0.00 35.03 34.12 2gya n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gya n ALA 82 N -0.28 0.90 -2.71 3.14 0.00 -1.23 -4.63 120.51 115.70 2gya n ALA 82 Ca 0.47 -0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 2gya n ALA 82 Cb 0.61 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.15 2gya n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya n ALA 83 N -0.45 1.56 -2.27 0.00 0.00 -1.22 -4.15 120.51 113.98 2gya n ALA 83 Ca 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 53.44 51.62 2gya n ALA 83 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 2gya n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gya n GLY 84 N -0.35 -5.23 0.10 0.00 0.00 -1.23 -4.21 105.19 94.27 2gya n GLY 84 Ca 0.02 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.55 2gya n GLY 84 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2gya h ILE 85 N 3.57 0.81 0.24 -0.61 6.09 -1.79 -3.40 117.51 122.43 2gya h ILE 85 Ca -0.22 -2.60 -0.01 0.00 -1.37 0.00 0.00 64.86 60.66 2gya h ILE 85 Cb 0.49 2.49 0.00 0.00 0.47 0.00 0.00 36.82 40.27 2gya h ILE 85 CO 0.00 0.67 -0.12 0.11 -3.07 0.00 0.00 178.15 175.75 2gya h LYS 86 N 0.03 -0.32 -4.52 2.19 1.57 -1.93 -3.42 116.57 110.19 2gya h LYS 86 Ca -0.32 0.02 -0.72 0.00 -1.87 0.00 0.00 60.65 57.76 2gya h LYS 86 Cb 2.02 0.07 -0.21 0.00 0.08 0.00 0.00 32.23 34.19 2gya h LYS 86 CO 0.09 0.01 -0.25 -1.54 -0.57 0.00 0.00 179.45 177.18 2gya s SER 87 N -5.28 6.16 0.40 0.86 1.04 -1.26 -5.06 113.70 110.57 2gya s SER 87 Ca -0.11 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.27 2gya s SER 87 Cb 0.01 -2.21 -0.07 0.00 0.10 0.00 0.00 66.02 63.85 2gya s SER 87 CO 0.38 -0.67 0.07 -0.83 0.98 0.00 0.00 173.24 173.17 2gya s GLY 88 N 2.43 2.37 -0.09 7.32 0.00 -1.26 -4.76 107.32 113.34 2gya s GLY 88 Ca 0.07 -2.18 -0.23 0.00 0.00 0.00 0.00 44.72 42.38 2gya s GLY 88 CO 0.09 -2.00 0.69 -0.45 0.00 0.00 0.00 173.10 171.43 2gya s SER 89 N -3.78 6.94 0.28 1.64 0.15 -1.26 -4.95 113.70 112.71 2gya s SER 89 Ca 0.37 1.14 -0.02 0.00 0.70 0.00 0.00 55.95 58.14 2gya s SER 89 Cb 0.06 -2.40 0.42 0.00 -1.71 0.00 0.00 66.02 62.38 2gya s SER 89 CO 0.20 -0.13 1.91 1.23 1.20 0.00 0.00 173.24 177.64 2gya h GLY 90 N 6.95 1.43 -7.11 9.45 0.00 -2.00 -3.32 103.07 108.47 2gya h GLY 90 Ca -0.40 -0.47 -0.62 0.00 0.00 0.00 0.00 47.33 45.84 2gya h GLY 90 CO 0.76 0.37 -0.67 -1.59 0.00 0.00 0.00 176.54 175.40 2gya s LYS 91 N -6.01 1.80 -0.01 4.80 0.00 -1.26 -5.10 119.74 113.96 2gya s LYS 91 Ca -0.12 -2.58 -0.30 0.00 0.00 0.00 0.00 55.97 52.97 2gya s LYS 91 Cb 0.19 -2.89 -0.06 0.00 0.00 0.00 0.00 37.83 35.07 2gya s LYS 91 CO 0.81 -1.19 1.53 -1.25 0.00 0.00 0.00 175.35 175.25 2gya s PRO 92 N -0.36 4.22 0.00 1.78 0.04 -1.25 -2.90 135.00 136.53 2gya s PRO 92 Ca 0.20 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2gya s PRO 92 Cb -0.18 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2gya s PRO 92 CO -0.06 -0.71 0.00 0.27 0.04 0.00 0.00 177.00 176.54 2gya n ASN 93 N 6.11 0.00 -0.03 6.66 0.23 -1.26 -4.72 115.26 122.25 2gya n ASN 93 Ca 0.15 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.99 2gya n ASN 93 Cb 0.43 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.99 2gya n ASN 93 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2gya h LYS 94 N 0.00 0.18 0.00 -3.83 1.63 -1.93 -3.49 116.57 109.13 2gya h LYS 94 Ca 0.00 -0.31 -0.37 0.00 -0.85 0.00 0.00 60.65 59.12 2gya h LYS 94 Cb 0.00 0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 31.66 2gya h LYS 94 CO 0.00 1.15 -0.33 -0.40 -3.45 0.00 0.00 179.45 176.42 2gya n ASP 95 N -3.87 0.26 -4.44 4.20 5.75 -1.26 -5.18 116.55 112.01 2gya n ASP 95 Ca -0.30 -2.55 -0.25 0.00 -0.01 0.00 0.00 54.79 51.68 2gya n ASP 95 Cb 0.91 0.98 -0.02 0.00 -1.03 0.00 0.00 41.12 41.96 2gya n ASP 95 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2gya n LYS 96 N -0.54 0.82 0.00 0.11 0.00 -1.26 -4.52 118.16 112.77 2gya n LYS 96 Ca 0.01 -3.09 0.00 0.00 -0.00 0.00 0.00 58.31 55.23 2gya n LYS 96 Cb 0.43 0.50 0.00 0.00 -0.00 0.00 0.00 35.03 35.96 2gya n LYS 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2gya n VAL 97 N -1.46 0.00 -3.57 0.58 0.31 -1.26 -4.74 118.33 108.18 2gya n VAL 97 Ca -0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.25 2gya n VAL 97 Cb 0.55 -0.10 -0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2gya n VAL 97 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gya n GLY 98 N 1.01 3.01 3.20 2.92 0.00 -1.26 -4.68 105.19 109.39 2gya n GLY 98 Ca 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 2gya n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gya s LYS 99 N -2.05 0.75 -0.04 1.61 0.00 -1.26 -2.54 119.74 116.20 2gya s LYS 99 Ca 0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 55.97 55.25 2gya s LYS 99 Cb -0.00 0.31 0.01 0.00 0.00 0.00 0.00 37.83 38.15 2gya s LYS 99 CO 0.01 -0.23 0.14 0.42 0.00 0.00 0.00 175.35 175.69 2gya s ILE 100 N -2.89 0.01 0.80 3.79 1.01 -1.25 -4.85 121.20 117.82 2gya s ILE 100 Ca -0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 2gya s ILE 100 Cb 0.00 -0.24 0.11 0.00 0.01 0.00 0.00 42.46 42.35 2gya s ILE 100 CO -0.06 -0.06 1.13 -0.55 0.00 0.00 0.00 174.94 175.41 2gya s SER 101 N -0.16 4.24 0.32 3.58 0.15 -1.26 -4.62 113.70 115.95 2gya s SER 101 Ca -0.02 0.40 0.06 0.00 0.70 0.00 0.00 55.95 57.08 2gya s SER 101 Cb -0.02 -0.82 0.54 0.00 -1.71 0.00 0.00 66.02 64.01 2gya s SER 101 CO 0.00 -2.00 1.79 0.08 1.20 0.00 0.00 173.24 174.31 2gya h ARG 102 N -0.98 0.37 0.03 5.44 0.11 -1.93 -2.93 114.38 114.49 2gya h ARG 102 Ca -0.44 -0.12 -0.00 0.00 0.10 0.00 0.00 59.98 59.52 2gya h ARG 102 Cb 1.29 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2gya h ARG 102 CO 0.54 0.57 -0.01 0.00 0.10 0.00 0.00 179.97 181.17 2gya h ALA 103 N 1.44 -0.04 0.00 0.08 0.00 -2.00 -2.03 119.26 116.71 2gya h ALA 103 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gya h ALA 103 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2gya h ALA 103 CO 0.04 -0.45 0.00 1.04 0.00 0.00 0.00 179.25 179.88 2gya n GLN 104 N -5.04 0.93 -0.03 0.00 3.00 -1.12 -2.00 117.38 113.12 2gya n GLN 104 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.88 2gya n GLN 104 Cb 0.11 -1.14 -0.03 0.00 0.00 0.00 0.00 30.24 29.17 2gya n GLN 104 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2gya n LEU 105 N 0.41 1.10 -0.03 1.08 -0.00 -0.77 -4.39 117.00 114.40 2gya n LEU 105 Ca 0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 56.01 56.11 2gya n LEU 105 Cb 0.41 -0.00 0.17 0.00 -0.00 0.00 0.00 43.42 43.99 2gya n LEU 105 CO 0.00 0.30 0.36 0.00 -0.00 0.00 0.00 177.39 178.04 2gya n GLN 106 N -2.37 0.11 0.12 1.96 6.02 -0.92 -3.70 117.38 118.60 2gya n GLN 106 Ca -0.09 -0.07 -0.06 0.00 -0.01 0.00 0.00 57.00 56.77 2gya n GLN 106 Cb 0.64 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 2gya n GLN 106 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2gya h GLU 107 N 0.17 -0.38 0.00 -1.09 4.22 -1.62 -2.99 114.58 112.89 2gya h GLU 107 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2gya h GLU 107 Cb 0.51 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2gya h GLU 107 CO 0.00 -0.25 0.00 0.44 -2.18 0.00 0.00 179.01 177.02 2gya n ILE 108 N -4.76 1.01 -3.12 2.32 -0.00 -1.26 -4.04 119.36 109.51 2gya n ILE 108 Ca -0.05 0.25 -0.24 0.00 -0.00 0.00 0.00 62.75 62.72 2gya n ILE 108 Cb 0.16 -1.13 0.00 0.00 -0.00 0.00 0.00 39.64 38.67 2gya n ILE 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2gya s ALA 109 N -2.67 3.71 0.00 -1.28 0.00 -1.13 -4.22 121.76 116.17 2gya s ALA 109 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2gya s ALA 109 Cb 0.05 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2gya s ALA 109 CO 0.12 -0.23 0.00 1.04 0.00 0.00 0.00 175.76 176.69 2gya n GLN 110 N -1.97 0.00 -0.81 0.00 1.13 -1.26 -4.63 117.38 109.83 2gya n GLN 110 Ca -0.01 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.97 2gya n GLN 110 Cb 0.57 -0.14 -0.11 0.00 0.11 0.00 0.00 30.24 30.67 2gya n GLN 110 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2gya n THR 111 N 0.00 2.62 0.00 5.09 -1.04 -1.26 -2.15 114.28 117.55 2gya n THR 111 Ca 0.00 -1.12 0.00 0.00 -2.04 0.00 0.00 64.05 60.89 2gya n THR 111 Cb 0.00 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 2gya n THR 111 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2gya n LYS 112 N 2.13 0.00 -0.04 -2.82 0.00 -1.26 -4.64 118.16 111.52 2gya n LYS 112 Ca 0.27 0.00 0.24 0.00 -0.00 0.00 0.00 58.31 58.82 2gya n LYS 112 Cb 0.76 0.00 0.72 0.00 -0.00 0.00 0.00 35.03 36.51 2gya n LYS 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gya h ALA 113 N 0.00 2.50 -0.79 0.58 0.00 -1.68 0.31 119.26 120.17 2gya h ALA 113 Ca 0.00 -0.02 -0.75 0.00 0.00 0.00 0.00 54.91 54.14 2gya h ALA 113 Cb 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 2gya h ALA 113 CO 0.00 -0.90 2.20 0.00 0.00 0.00 0.00 179.25 180.55 2gya n ALA 114 N -2.51 5.90 0.00 0.00 0.00 -1.26 -3.43 120.51 119.20 2gya n ALA 114 Ca 0.13 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.35 2gya n ALA 114 Cb 0.81 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2gya n ALA 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gya n ASP 115 N 3.16 0.00 -4.78 0.00 8.00 -0.97 -5.10 116.55 116.86 2gya n ASP 115 Ca 0.48 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.62 2gya n ASP 115 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2gya n ASP 115 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2gya s MET 116 N 0.00 3.97 -0.12 -1.24 1.75 0.10 -5.02 119.30 118.74 2gya s MET 116 Ca 0.00 1.56 0.02 0.00 -1.25 0.00 0.00 55.69 56.02 2gya s MET 116 Cb 0.00 -2.42 0.01 0.00 2.84 0.00 0.00 34.83 35.26 2gya s MET 116 CO 0.00 -0.32 -0.18 0.95 -0.65 0.00 0.00 175.02 174.82 2gya s THR 117 N -1.68 1.73 0.00 10.11 -4.23 -1.26 -4.59 115.64 115.72 2gya s THR 117 Ca 0.61 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2gya s THR 117 Cb -0.23 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.05 2gya s THR 117 CO 0.28 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 2gya n GLY 118 N 4.19 2.85 3.91 3.99 0.00 -1.26 -5.01 105.19 113.85 2gya n GLY 118 Ca -0.19 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 2gya n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gya s ALA 119 N -1.41 3.55 0.42 4.61 0.00 -1.26 -4.85 121.76 122.82 2gya s ALA 119 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2gya s ALA 119 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.73 2gya s ALA 119 CO 0.00 0.03 0.00 -0.25 0.00 0.00 0.00 175.76 175.54 2gya n ASP 120 N -1.43 -7.01 0.20 0.00 8.00 -1.26 -4.07 116.55 110.98 2gya n ASP 120 Ca -0.01 1.02 0.06 0.00 0.71 0.00 0.00 54.79 56.57 2gya n ASP 120 Cb 0.55 -3.62 0.37 0.00 -0.02 0.00 0.00 41.12 38.40 2gya n ASP 120 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2gya h ILE 121 N 1.22 0.85 0.00 0.53 -0.00 -1.99 -2.64 117.51 115.48 2gya h ILE 121 Ca 0.00 -1.41 -0.06 0.00 -0.00 0.00 0.00 64.86 63.39 2gya h ILE 121 Cb 0.05 1.87 -0.01 0.00 -0.00 0.00 0.00 36.82 38.73 2gya h ILE 121 CO 0.00 0.34 -0.27 1.05 -0.00 0.00 0.00 178.15 179.27 2gya h GLU 122 N 0.00 0.00 0.00 0.16 -0.00 -1.99 0.46 114.58 113.21 2gya h GLU 122 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2gya h GLU 122 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.59 2gya h GLU 122 CO 0.04 0.27 -0.25 0.00 -0.00 0.00 0.00 179.01 179.08 2gya h ALA 123 N 1.73 0.87 0.13 1.06 0.00 -1.62 -3.04 119.26 118.38 2gya h ALA 123 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 2gya h ALA 123 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2gya h ALA 123 CO 0.04 0.00 -1.83 0.52 0.00 0.00 0.00 179.25 177.98 2gya h MET 124 N 0.00 0.26 0.00 0.00 2.86 -1.09 -3.29 114.93 113.67 2gya h MET 124 Ca 0.00 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2gya h MET 124 Cb 0.94 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 2gya h MET 124 CO 0.00 1.14 -0.02 1.79 1.06 0.00 0.00 176.91 180.88 2gya h THR 125 N 0.07 0.49 -5.96 2.22 1.35 -0.16 -3.36 112.91 107.56 2gya h THR 125 Ca -0.36 -0.11 -0.41 0.00 -0.55 0.00 0.00 66.41 64.99 2gya h THR 125 Cb 2.05 1.07 0.04 0.00 -1.73 0.00 0.00 68.15 69.57 2gya h THR 125 CO 0.12 0.02 -0.02 -2.11 -0.25 0.00 0.00 175.52 173.28 2gya n ARG 126 N -3.74 0.51 0.00 4.72 1.85 -1.15 -3.71 116.66 115.14 2gya n ARG 126 Ca -0.03 -2.57 0.00 0.00 -1.00 0.00 0.00 57.85 54.25 2gya n ARG 126 Cb 0.11 -0.29 0.00 0.00 -1.05 0.00 0.00 32.46 31.23 2gya n ARG 126 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2gya n SER 127 N -2.55 0.00 0.18 2.89 2.88 -1.26 -3.95 113.62 111.81 2gya n SER 127 Ca 0.14 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.80 2gya n SER 127 Cb 0.51 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.24 2gya n SER 127 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2gya h ILE 128 N 0.00 0.00 -0.01 2.46 6.09 -1.75 1.09 117.51 125.39 2gya h ILE 128 Ca 0.00 -0.79 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 2gya h ILE 128 Cb 0.00 1.78 0.00 0.00 0.47 0.00 0.00 36.82 39.07 2gya h ILE 128 CO 0.00 0.00 -0.52 -0.62 -3.07 0.00 0.00 178.15 173.94 2gya n GLU 129 N -2.79 0.48 -0.03 2.19 -0.58 -1.24 0.69 120.64 119.36 2gya n GLU 129 Ca 0.04 -0.34 -0.16 0.00 -0.42 0.00 0.00 57.16 56.29 2gya n GLU 129 Cb 0.48 -1.49 -0.14 0.00 -0.57 0.00 0.00 31.44 29.72 2gya n GLU 129 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gya n GLY 130 N 1.43 -0.70 0.35 0.62 0.00 -0.25 -3.08 105.19 103.56 2gya n GLY 130 Ca 0.08 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2gya n GLY 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gya n THR 131 N -3.24 0.01 0.00 2.61 -1.04 0.36 -4.48 114.28 108.49 2gya n THR 131 Ca -0.30 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2gya n THR 131 Cb 1.05 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 2gya n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gya n ALA 132 N -0.15 0.00 -3.68 2.41 0.00 0.22 -4.65 120.51 114.65 2gya n ALA 132 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 2gya n ALA 132 Cb 0.28 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 2gya n ALA 132 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gya s ARG 133 N -0.63 0.39 0.00 0.00 1.81 -1.26 -4.85 118.95 114.41 2gya s ARG 133 Ca 0.00 0.87 0.14 0.00 -1.72 0.00 0.00 55.73 55.02 2gya s ARG 133 Cb 0.00 0.06 0.23 0.00 -0.45 0.00 0.00 34.95 34.79 2gya s ARG 133 CO 0.00 -0.18 1.06 -1.13 -0.68 0.00 0.00 175.30 174.37 2gya n SER 134 N 4.51 0.40 -2.87 0.23 3.41 -1.26 -4.85 113.62 113.19 2gya n SER 134 Ca -0.20 -1.93 -0.12 0.00 -0.26 0.00 0.00 58.87 56.35 2gya n SER 134 Cb 0.54 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.34 2gya n SER 134 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2gya n MET 135 N 0.27 0.75 0.00 4.33 0.00 -1.26 -4.66 117.12 116.55 2gya n MET 135 Ca -0.01 -2.13 0.00 0.00 -0.00 0.00 0.00 57.70 55.56 2gya n MET 135 Cb 0.93 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.74 2gya n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2gya n GLY 136 N 1.62 1.74 0.00 -5.12 0.00 -1.26 -4.88 105.19 97.28 2gya n GLY 136 Ca 0.12 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2gya n GLY 136 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gya n LEU 137 N 0.00 0.00 -4.87 0.99 7.94 -1.26 -4.61 117.00 115.19 2gya n LEU 137 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 2gya n LEU 137 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 2gya n LEU 137 CO 0.00 0.00 0.43 0.54 -1.11 0.00 0.00 177.39 177.25 2gya s VAL 138 N 0.00 4.76 0.06 1.96 0.11 -1.05 -4.64 120.40 121.60 2gya s VAL 138 Ca 0.00 0.69 -0.25 0.00 -2.93 0.00 0.00 61.98 59.49 2gya s VAL 138 Cb 0.00 -3.70 -0.17 0.00 -1.53 0.00 0.00 36.38 30.98 2gya s VAL 138 CO 0.00 -0.43 1.59 0.58 -3.33 0.00 0.00 175.10 173.51 2gya h VAL 139 N 1.31 0.93 -0.01 2.04 2.07 -1.92 -3.39 116.25 117.27 2gya h VAL 139 Ca -0.47 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2gya h VAL 139 Cb 1.18 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2gya h VAL 139 CO 0.64 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.67