#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gsp h ASP 3 N 4.49 0.19 -3.50 0.00 3.32 -1.30 -3.44 116.42 116.17 3gsp h ASP 3 Ca -0.48 -0.20 -0.32 0.00 0.02 0.00 0.00 57.03 56.05 3gsp h ASP 3 Cb 1.21 -0.06 -0.34 0.00 0.22 0.00 0.00 39.33 40.36 3gsp h ASP 3 CO 0.66 1.16 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.29 3gsp s TYR 4 N -2.68 0.18 -0.25 4.55 2.02 -0.59 -4.97 117.35 115.60 3gsp s TYR 4 Ca -0.01 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 3gsp s TYR 4 Cb 0.09 -0.33 0.05 0.00 -0.40 0.00 0.00 41.96 41.37 3gsp s TYR 4 CO 0.85 -0.11 -0.11 0.99 -1.57 0.00 0.00 175.55 175.60 3gsp s THR 5 N 1.07 2.29 -0.52 -0.71 2.01 0.16 -1.10 115.64 118.84 3gsp s THR 5 Ca -0.09 -1.46 -0.05 0.00 0.31 0.00 0.00 61.69 60.40 3gsp s THR 5 Cb -0.13 -2.27 0.14 0.00 0.01 0.00 0.00 72.50 70.24 3gsp s THR 5 CO -0.02 0.07 0.35 0.00 -0.69 0.00 0.00 174.62 174.33 3gsp n GLY 7 N 4.23 3.35 0.81 0.00 0.00 -1.26 -1.21 105.19 111.11 3gsp n GLY 7 Ca 0.01 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3gsp n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gsp n SER 8 N 8.83 2.69 -4.71 1.61 3.41 -1.26 -4.93 113.62 119.26 3gsp n SER 8 Ca 0.00 -1.85 -0.41 0.00 -0.26 0.00 0.00 58.87 56.35 3gsp n SER 8 Cb 0.00 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 3gsp n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3gsp s ASN 9 N -2.12 7.23 -0.22 4.04 0.01 -0.35 -5.04 114.94 118.49 3gsp s ASN 9 Ca 0.25 1.49 -0.05 0.00 -0.71 0.00 0.00 52.86 53.84 3gsp s ASN 9 Cb 0.19 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 3gsp s ASN 9 CO 0.38 -0.25 0.00 0.00 -1.51 0.00 0.00 177.10 175.72 3gsp s TYR 11 N 1.33 1.94 0.44 0.00 2.02 -0.26 -5.02 117.35 117.79 3gsp s TYR 11 Ca 0.04 -0.38 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 3gsp s TYR 11 Cb -0.15 -1.17 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 3gsp s TYR 11 CO 0.00 0.08 0.51 -1.54 -1.57 0.00 0.00 175.55 173.03 3gsp s SER 12 N -1.07 5.32 0.40 2.29 1.04 -1.26 -0.78 113.70 119.64 3gsp s SER 12 Ca 0.09 -0.62 0.08 0.00 0.48 0.00 0.00 55.95 55.97 3gsp s SER 12 Cb -0.09 -0.49 0.83 0.00 0.10 0.00 0.00 66.02 66.37 3gsp s SER 12 CO 0.01 -0.78 2.01 0.28 0.98 0.00 0.00 173.24 175.74 3gsp h SER 13 N 0.76 0.40 -0.66 7.02 0.02 -1.98 -2.25 113.55 116.86 3gsp h SER 13 Ca -0.39 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.44 3gsp h SER 13 Cb 1.28 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 3gsp h SER 13 CO 0.50 0.37 0.10 0.28 -1.14 0.00 0.00 176.83 176.94 3gsp h SER 14 N 0.45 1.04 -0.36 3.07 0.02 -1.99 -0.10 113.55 115.69 3gsp h SER 14 Ca 0.11 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3gsp h SER 14 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3gsp h SER 14 CO -0.01 1.04 0.20 0.44 -1.14 0.00 0.00 176.83 177.36 3gsp h ASP 15 N 1.01 0.45 -0.04 3.07 3.32 -1.81 -1.73 116.42 120.70 3gsp h ASP 15 Ca 0.20 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3gsp h ASP 15 Cb 0.44 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3gsp h ASP 15 CO 0.01 0.41 0.01 0.58 -1.72 0.00 0.00 179.24 178.53 3gsp h VAL 16 N 0.46 1.17 -0.87 -1.35 2.07 -1.27 -2.09 116.25 114.37 3gsp h VAL 16 Ca 0.13 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3gsp h VAL 16 Cb 0.05 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3gsp h VAL 16 CO -0.02 0.14 0.56 0.28 0.02 0.00 0.00 177.57 178.54 3gsp h SER 17 N -0.14 0.92 -0.25 0.57 0.02 -0.93 0.08 113.55 113.83 3gsp h SER 17 Ca 0.01 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3gsp h SER 17 Cb 0.21 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3gsp h SER 17 CO -0.00 0.63 0.08 0.74 -1.14 0.00 0.00 176.83 177.14 3gsp h THR 18 N 1.08 1.19 -0.36 -2.27 2.02 -1.20 -1.06 112.91 112.31 3gsp h THR 18 Ca 0.35 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3gsp h THR 18 Cb 0.04 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3gsp h THR 18 CO -0.13 0.20 0.13 0.00 0.37 0.00 0.00 175.52 176.09 3gsp h ALA 19 N 0.91 0.47 -0.54 6.16 0.00 -1.05 -2.72 119.26 122.48 3gsp h ALA 19 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3gsp h ALA 19 Cb 0.23 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3gsp h ALA 19 CO -0.00 0.09 0.31 0.37 0.00 0.00 0.00 179.25 180.02 3gsp h GLN 20 N 0.43 0.59 -0.51 0.00 4.15 -0.89 -1.58 115.11 117.29 3gsp h GLN 20 Ca 0.12 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.52 3gsp h GLN 20 Cb 0.22 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3gsp h GLN 20 CO -0.01 0.39 0.31 0.00 -1.93 0.00 0.00 178.83 177.60 3gsp h ALA 21 N 1.26 0.65 -0.32 3.38 0.00 -1.05 0.91 119.26 124.09 3gsp h ALA 21 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3gsp h ALA 21 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gsp h ALA 21 CO -0.12 0.03 0.13 0.00 0.00 0.00 0.00 179.25 179.29 3gsp h ALA 22 N 1.22 0.41 -0.48 0.00 0.00 -1.17 -1.85 119.26 117.38 3gsp h ALA 22 Ca 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3gsp h ALA 22 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gsp h ALA 22 CO -0.08 -0.00 0.12 0.78 0.00 0.00 0.00 179.25 180.07 3gsp h GLY 23 N 0.37 0.83 1.52 0.00 0.00 -0.97 -2.70 103.07 102.12 3gsp h GLY 23 Ca 0.11 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 3gsp h GLY 23 CO -0.01 0.48 -0.10 -1.82 0.00 0.00 0.00 176.54 175.09 3gsp h TYR 24 N 0.66 0.62 -0.30 5.60 3.20 -0.76 -1.88 116.97 124.10 3gsp h TYR 24 Ca 0.15 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3gsp h TYR 24 Cb 0.32 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3gsp h TYR 24 CO 0.02 0.66 0.13 -0.22 -1.64 0.00 0.00 178.16 177.11 3gsp h LYS 25 N 0.53 0.43 -0.74 1.82 3.64 -1.17 -0.66 116.57 120.42 3gsp h LYS 25 Ca 0.10 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3gsp h LYS 25 Cb 0.49 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3gsp h LYS 25 CO 0.03 0.43 0.49 -0.07 -2.27 0.00 0.00 179.45 178.05 3gsp h LEU 26 N 0.34 0.86 -0.52 5.20 3.38 -1.27 -1.58 115.31 121.72 3gsp h LEU 26 Ca 0.10 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3gsp h LEU 26 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3gsp h LEU 26 CO -0.01 0.63 0.34 -0.74 0.09 0.00 0.00 178.44 178.75 3gsp h HIS 27 N 1.01 0.64 -0.85 1.13 2.76 -0.96 -1.25 115.15 117.63 3gsp h HIS 27 Ca 0.27 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 3gsp h HIS 27 Cb -0.10 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.60 3gsp h HIS 27 CO -0.02 0.40 0.46 0.93 -1.30 0.00 0.00 177.93 178.40 3gsp h GLU 28 N 0.69 1.18 -0.00 5.26 5.08 -0.71 -2.45 114.58 123.63 3gsp h GLU 28 Ca 0.19 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gsp h GLU 28 Cb -0.07 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.95 3gsp h GLU 28 CO -0.05 0.87 -0.02 -0.25 -1.00 0.00 0.00 179.01 178.56 3gsp n ASP 29 N -4.38 0.15 -2.52 1.42 8.00 -0.63 -4.93 116.55 113.67 3gsp n ASP 29 Ca 0.09 -0.57 -0.17 0.00 0.71 0.00 0.00 54.79 54.85 3gsp n ASP 29 Cb 0.10 -0.14 0.04 0.00 -0.02 0.00 0.00 41.12 41.10 3gsp n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gsp n GLY 30 N 1.19 -0.14 3.43 0.44 0.00 -0.56 -5.03 105.19 104.50 3gsp n GLY 30 Ca 0.18 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3gsp n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gsp s GLU 31 N -5.71 1.54 0.12 1.61 2.02 -0.66 -5.05 118.70 112.57 3gsp s GLU 31 Ca 0.34 -1.72 0.01 0.00 0.02 0.00 0.00 54.97 53.61 3gsp s GLU 31 Cb -0.15 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 3gsp s GLU 31 CO 0.42 0.21 -0.02 0.95 0.02 0.00 0.00 175.26 176.85 3gsp s THR 32 N -2.76 0.51 0.03 3.63 -4.23 -1.26 -4.37 115.64 107.19 3gsp s THR 32 Ca 0.27 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 3gsp s THR 32 Cb -0.01 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 3gsp s THR 32 CO 0.12 -0.70 -0.07 0.68 -0.54 0.00 0.00 174.62 174.11 3gsp s VAL 33 N -3.76 0.44 0.00 2.29 -7.23 0.53 -4.89 120.40 107.78 3gsp s VAL 33 Ca 0.17 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 3gsp s VAL 33 Cb 0.06 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.49 3gsp s VAL 33 CO -0.02 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 3gsp n GLY 34 N 1.59 -0.66 0.26 2.32 0.00 -1.26 -1.08 105.19 106.35 3gsp n GLY 34 Ca -0.22 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.29 3gsp n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gsp h SER 35 N 0.00 0.00 -0.68 1.61 4.64 -1.98 -2.69 113.55 114.45 3gsp h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gsp h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gsp h SER 35 CO 0.00 0.09 0.00 0.59 -0.87 0.00 0.00 176.83 176.64 3gsp n ASN 36 N -3.25 4.64 -3.23 4.97 5.03 -1.26 -5.02 115.26 117.15 3gsp n ASN 36 Ca 0.00 -2.36 -0.21 0.00 0.87 0.00 0.00 54.58 52.89 3gsp n ASN 36 Cb 0.34 -0.57 0.02 0.00 -1.02 0.00 0.00 39.78 38.55 3gsp n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3gsp n SER 37 N 1.26 -6.68 -4.81 6.41 7.64 -1.01 -4.91 113.62 111.52 3gsp n SER 37 Ca 0.26 0.04 -0.35 0.00 1.01 0.00 0.00 58.87 59.83 3gsp n SER 37 Cb 0.84 -3.57 -0.07 0.00 -1.01 0.00 0.00 64.21 60.40 3gsp n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gsp s TYR 38 N -2.27 3.39 0.57 1.43 2.02 -0.24 -3.66 117.35 118.59 3gsp s TYR 38 Ca 0.25 0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 57.16 3gsp s TYR 38 Cb -0.04 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 3gsp s TYR 38 CO 0.82 0.60 0.97 -1.25 -1.57 0.00 0.00 175.55 175.13 3gsp s PRO 39 N -1.36 3.67 0.19 -1.71 0.04 -1.26 -0.35 135.00 134.22 3gsp s PRO 39 Ca 0.19 0.69 -0.07 0.00 0.04 0.00 0.00 61.00 61.86 3gsp s PRO 39 Cb -0.12 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3gsp s PRO 39 CO 0.09 -0.43 0.25 -3.38 0.04 0.00 0.00 177.00 173.57 3gsp s HIS 40 N -2.97 0.65 0.30 0.56 -3.43 -1.16 -4.93 115.29 104.32 3gsp s HIS 40 Ca 0.54 -0.98 -0.30 0.00 -0.80 0.00 0.00 55.06 53.52 3gsp s HIS 40 Cb -0.11 -0.20 -0.11 0.00 -1.43 0.00 0.00 32.58 30.73 3gsp s HIS 40 CO 0.47 -0.73 1.60 0.21 -2.00 0.00 0.00 174.74 174.29 3gsp s LYS 41 N -4.04 4.11 -0.29 -0.38 2.20 -1.26 -0.81 119.74 119.26 3gsp s LYS 41 Ca 0.25 2.60 -0.06 0.00 -0.36 0.00 0.00 55.97 58.40 3gsp s LYS 41 Cb 0.04 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3gsp s LYS 41 CO 0.05 -0.65 0.06 -0.47 -0.36 0.00 0.00 175.35 173.99 3gsp s TYR 42 N -0.10 3.15 -0.64 4.03 5.04 -0.22 -4.73 117.35 123.89 3gsp s TYR 42 Ca 0.63 -1.15 0.25 0.00 -2.44 0.00 0.00 57.07 54.36 3gsp s TYR 42 Cb -0.48 -2.23 0.87 0.00 0.35 0.00 0.00 41.96 40.48 3gsp s TYR 42 CO 0.50 -0.63 1.76 0.09 -1.34 0.00 0.00 175.55 175.93 3gsp n ASN 43 N 4.82 0.77 -3.21 4.32 5.03 -1.26 -4.20 115.26 121.53 3gsp n ASN 43 Ca -0.14 0.61 -0.17 0.00 0.87 0.00 0.00 54.58 55.74 3gsp n ASN 43 Cb 0.47 -0.80 0.08 0.00 -1.02 0.00 0.00 39.78 38.51 3gsp n ASN 43 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3gsp n ASN 44 N -2.26 -3.30 0.25 6.41 5.15 -1.26 -4.90 115.26 115.35 3gsp n ASN 44 Ca 0.04 -0.53 0.10 0.00 -0.60 0.00 0.00 54.58 53.59 3gsp n ASN 44 Cb 0.36 -4.62 0.66 0.00 -0.53 0.00 0.00 39.78 35.65 3gsp n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3gsp h TYR 45 N -1.94 0.00 0.00 1.20 0.05 -2.00 -1.69 116.97 112.58 3gsp h TYR 45 Ca -0.52 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.21 3gsp h TYR 45 Cb 1.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.05 3gsp h TYR 45 CO 0.41 0.12 -0.23 0.93 -1.05 0.00 0.00 178.16 178.34 3gsp h GLU 46 N 0.00 0.00 -1.92 4.88 3.07 -1.94 -3.47 114.58 115.20 3gsp h GLU 46 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 3gsp h GLU 46 Cb 0.27 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.20 3gsp h GLU 46 CO 0.02 0.23 -0.14 0.41 -1.40 0.00 0.00 179.01 178.13 3gsp n GLY 47 N -0.36 0.63 3.77 -3.84 0.00 -0.64 -5.02 105.19 99.73 3gsp n GLY 47 Ca -0.01 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3gsp n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gsp s PHE 48 N -3.02 3.02 -1.21 1.61 0.08 -1.26 -4.95 117.98 112.25 3gsp s PHE 48 Ca 0.11 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.59 3gsp s PHE 48 Cb -0.05 -3.40 0.20 0.00 -0.57 0.00 0.00 43.02 39.20 3gsp s PHE 48 CO 0.14 -1.38 1.49 -0.40 -0.10 0.00 0.00 175.22 174.97 3gsp n ASP 49 N -0.05 5.32 -4.77 1.36 5.68 -1.26 -5.01 116.55 117.82 3gsp n ASP 49 Ca 0.05 -3.04 -0.37 0.00 -0.50 0.00 0.00 54.79 50.92 3gsp n ASP 49 Cb 0.47 -1.50 -0.01 0.00 -1.14 0.00 0.00 41.12 38.93 3gsp n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3gsp s PHE 50 N 0.59 2.90 -0.52 2.11 0.08 -1.26 -4.95 117.98 116.93 3gsp s PHE 50 Ca 0.40 1.53 0.24 0.00 0.12 0.00 0.00 56.93 59.22 3gsp s PHE 50 Cb -0.01 -3.40 0.48 0.00 -0.57 0.00 0.00 43.02 39.53 3gsp s PHE 50 CO -0.00 -1.51 1.66 0.77 -0.10 0.00 0.00 175.22 176.03 3gsp h SER 51 N 2.18 0.00 -2.17 1.36 0.02 -1.92 -3.46 113.55 109.55 3gsp h SER 51 Ca -0.49 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.95 3gsp h SER 51 Cb 1.25 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 3gsp h SER 51 CO 0.61 0.00 -0.54 0.68 -1.14 0.00 0.00 176.83 176.44 3gsp s VAL 52 N -3.18 4.25 0.54 2.27 -7.23 -1.26 -5.12 120.40 110.66 3gsp s VAL 52 Ca 0.08 -1.47 -0.16 0.00 -1.81 0.00 0.00 61.98 58.62 3gsp s VAL 52 Cb 0.07 -3.31 -0.07 0.00 0.56 0.00 0.00 36.38 33.63 3gsp s VAL 52 CO 0.65 -0.34 1.00 -0.44 -0.31 0.00 0.00 175.10 175.65 3gsp s SER 53 N -3.83 6.51 0.85 4.85 0.01 -1.26 -5.05 113.70 115.78 3gsp s SER 53 Ca 0.33 1.56 -0.13 0.00 1.31 0.00 0.00 55.95 59.03 3gsp s SER 53 Cb -0.07 -2.50 0.10 0.00 0.21 0.00 0.00 66.02 63.76 3gsp s SER 53 CO 0.24 -0.67 1.19 -0.94 0.41 0.00 0.00 173.24 173.48 3gsp s SER 54 N -3.23 4.16 0.69 2.44 1.04 -1.26 -4.70 113.70 112.83 3gsp s SER 54 Ca 0.59 0.73 -0.14 0.00 0.48 0.00 0.00 55.95 57.61 3gsp s SER 54 Cb -0.10 -1.17 0.01 0.00 0.10 0.00 0.00 66.02 64.85 3gsp s SER 54 CO 0.35 -2.12 1.10 -2.16 0.98 0.00 0.00 173.24 171.39 3gsp s PRO 55 N -5.58 2.70 0.13 4.02 0.04 -1.26 -4.86 135.00 130.19 3gsp s PRO 55 Ca 0.64 1.30 0.08 0.00 0.04 0.00 0.00 61.00 63.05 3gsp s PRO 55 Cb -0.11 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3gsp s PRO 55 CO 0.50 -1.32 -0.09 0.71 0.04 0.00 0.00 177.00 176.84 3gsp s TYR 56 N -2.53 2.71 -0.01 0.56 2.02 -1.26 -3.56 117.35 115.28 3gsp s TYR 56 Ca 0.65 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 3gsp s TYR 56 Cb -0.19 -1.38 -0.00 0.00 -0.40 0.00 0.00 41.96 39.99 3gsp s TYR 56 CO 0.46 0.46 -0.08 0.71 -1.57 0.00 0.00 175.55 175.52 3gsp s TYR 57 N -1.40 0.75 -0.05 2.71 2.02 0.53 -1.06 117.35 120.85 3gsp s TYR 57 Ca 0.23 -0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.76 3gsp s TYR 57 Cb -0.10 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 3gsp s TYR 57 CO 0.14 -0.03 0.05 -1.83 -1.57 0.00 0.00 175.55 172.32 3gsp s GLU 58 N -0.11 3.07 -0.04 -0.62 -1.05 0.01 -1.53 118.70 118.42 3gsp s GLU 58 Ca 0.02 -0.41 -0.02 0.00 -0.15 0.00 0.00 54.97 54.41 3gsp s GLU 58 Cb -0.04 -2.87 0.03 0.00 -0.44 0.00 0.00 34.13 30.81 3gsp s GLU 58 CO -0.00 0.69 0.09 -0.46 0.95 0.00 0.00 175.26 176.52 3gsp s TRP 59 N -1.04 -0.08 0.39 4.83 -0.11 -0.39 -2.96 118.94 119.58 3gsp s TRP 59 Ca 0.18 0.28 -0.26 0.00 1.22 0.00 0.00 56.10 57.52 3gsp s TRP 59 Cb -0.12 -0.09 -0.09 0.00 -1.50 0.00 0.00 33.47 31.67 3gsp s TRP 59 CO 0.08 -0.10 1.28 -2.14 -4.62 0.00 0.00 176.95 171.44 3gsp s PRO 60 N 0.78 4.06 -0.10 5.86 0.02 -1.26 -0.00 135.00 144.35 3gsp s PRO 60 Ca -0.06 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.10 3gsp s PRO 60 Cb -0.08 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.64 3gsp s PRO 60 CO -0.03 -0.40 -0.22 -1.50 -0.33 0.00 0.00 177.00 174.51 3gsp s ILE 61 N -1.26 1.96 -0.11 2.83 2.07 -0.87 -4.59 121.20 121.22 3gsp s ILE 61 Ca 0.55 -0.96 -0.04 0.00 -1.41 0.00 0.00 60.65 58.79 3gsp s ILE 61 Cb -0.37 -1.71 -0.04 0.00 0.13 0.00 0.00 42.46 40.48 3gsp s ILE 61 CO 0.48 0.54 0.06 -0.76 -1.91 0.00 0.00 174.94 173.35 3gsp s LEU 62 N 0.45 3.94 0.41 8.50 1.43 -1.26 -4.42 118.68 127.72 3gsp s LEU 62 Ca -0.17 0.27 0.29 0.00 -1.03 0.00 0.00 54.13 53.50 3gsp s LEU 62 Cb -0.17 -1.94 1.33 0.00 0.03 0.00 0.00 46.19 45.44 3gsp s LEU 62 CO 0.07 0.37 1.88 0.77 0.23 0.00 0.00 176.35 179.67 3gsp h SER 63 N 5.23 0.00 0.99 2.29 4.64 -1.96 -2.10 113.55 122.64 3gsp h SER 63 Ca -0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 3gsp h SER 63 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3gsp h SER 63 CO 0.57 0.00 -0.13 0.77 -0.87 0.00 0.00 176.83 177.17 3gsp h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.47 113.55 117.70 3gsp h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gsp h SER 64 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3gsp h SER 64 CO 0.00 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 3gsp n GLY 65 N 0.12 0.48 3.88 -0.77 0.00 -0.79 -5.06 105.19 103.05 3gsp n GLY 65 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3gsp n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gsp s ASP 66 N -2.37 6.20 0.03 1.61 1.01 -1.26 -5.01 116.67 116.87 3gsp s ASP 66 Ca 0.00 1.26 -0.21 0.00 0.71 0.00 0.00 52.55 54.31 3gsp s ASP 66 Cb 0.00 -2.38 -0.06 0.00 1.01 0.00 0.00 42.92 41.50 3gsp s ASP 66 CO 0.00 -0.80 0.62 -0.69 0.21 0.00 0.00 175.17 174.51 3gsp s VAL 67 N -3.06 4.82 0.18 -1.27 1.01 -1.26 -4.30 120.40 116.53 3gsp s VAL 67 Ca 0.53 1.32 -0.33 0.00 0.00 0.00 0.00 61.98 63.50 3gsp s VAL 67 Cb -0.11 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 3gsp s VAL 67 CO 0.51 0.44 1.58 0.00 0.00 0.00 0.00 175.10 177.63 3gsp n TYR 68 N 2.50 2.37 -0.80 5.22 9.36 -1.26 -4.88 117.16 129.66 3gsp n TYR 68 Ca -0.07 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.40 3gsp n TYR 68 Cb 0.51 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 3gsp n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3gsp n SER 69 N 3.29 0.36 0.00 2.98 3.41 -1.26 -5.07 113.62 117.33 3gsp n SER 69 Ca 0.16 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 3gsp n SER 69 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3gsp n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gsp n GLY 70 N -0.08 3.10 6.17 5.00 0.00 -1.26 -4.63 105.19 113.48 3gsp n GLY 70 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3gsp n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gsp n GLY 71 N -1.72 -1.57 3.70 -0.02 0.00 -1.26 -4.83 105.19 99.49 3gsp n GLY 71 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3gsp n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gsp s SER 72 N -4.00 6.49 0.00 1.61 0.15 -1.26 -4.83 113.70 111.86 3gsp s SER 72 Ca 0.00 2.70 0.29 0.00 0.70 0.00 0.00 55.95 59.63 3gsp s SER 72 Cb 0.00 -2.58 1.21 0.00 -1.71 0.00 0.00 66.02 62.95 3gsp s SER 72 CO 0.00 -0.94 1.85 -0.81 1.20 0.00 0.00 173.24 174.54 3gsp n PRO 73 N 4.94 0.82 0.00 5.44 -0.04 -1.26 -5.05 135.00 139.85 3gsp n PRO 73 Ca 0.16 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3gsp n PRO 73 Cb 0.38 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3gsp n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gsp n GLY 74 N 1.25 -0.97 0.00 0.55 0.00 -1.26 -4.38 105.19 100.38 3gsp n GLY 74 Ca 0.15 -1.18 0.09 0.00 0.00 0.00 0.00 46.02 45.08 3gsp n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gsp n ALA 75 N 1.37 4.33 -2.83 4.61 0.00 -1.26 -5.00 120.51 121.73 3gsp n ALA 75 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.55 3gsp n ALA 75 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 3gsp n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gsp s ASP 76 N -3.03 6.44 0.02 0.00 1.01 -1.26 -1.48 116.67 118.37 3gsp s ASP 76 Ca 0.06 0.47 -0.01 0.00 0.71 0.00 0.00 52.55 53.78 3gsp s ASP 76 Cb 0.15 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 42.00 3gsp s ASP 76 CO 0.81 0.27 -0.01 -0.13 0.21 0.00 0.00 175.17 176.32 3gsp s ARG 77 N -1.74 0.36 -0.11 8.23 1.81 -0.15 -2.06 118.95 125.29 3gsp s ARG 77 Ca 0.26 -0.65 -0.02 0.00 -1.72 0.00 0.00 55.73 53.60 3gsp s ARG 77 Cb -0.13 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 3gsp s ARG 77 CO 0.16 -0.06 -0.04 0.14 -0.68 0.00 0.00 175.30 174.81 3gsp s VAL 78 N -1.70 3.92 -0.19 3.52 -7.23 1.00 -1.66 120.40 118.06 3gsp s VAL 78 Ca -0.14 -0.38 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 3gsp s VAL 78 Cb -0.08 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 3gsp s VAL 78 CO -0.02 0.56 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.56 3gsp s VAL 79 N -0.33 3.17 0.28 1.32 1.01 -0.18 -1.26 120.40 124.40 3gsp s VAL 79 Ca 0.05 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3gsp s VAL 79 Cb -0.12 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 3gsp s VAL 79 CO 0.02 0.46 0.01 0.72 0.00 0.00 0.00 175.10 176.31 3gsp s PHE 80 N 1.14 1.81 0.03 5.22 -0.12 -0.59 -0.30 117.98 125.18 3gsp s PHE 80 Ca 0.01 -0.88 0.00 0.00 -0.05 0.00 0.00 56.93 56.01 3gsp s PHE 80 Cb -0.14 -1.10 0.00 0.00 -0.63 0.00 0.00 43.02 41.15 3gsp s PHE 80 CO -0.02 0.05 0.02 0.27 -0.05 0.00 0.00 175.22 175.49 3gsp n ASN 81 N -0.56 1.37 0.26 1.98 6.94 -0.76 -0.35 115.26 124.15 3gsp n ASN 81 Ca -0.04 -1.11 0.10 0.00 -0.02 0.00 0.00 54.58 53.51 3gsp n ASN 81 Cb 0.65 0.00 0.70 0.00 -2.36 0.00 0.00 39.78 38.78 3gsp n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3gsp h GLU 82 N 0.00 0.00 -0.64 -3.83 4.57 -1.84 -2.08 114.58 110.76 3gsp h GLU 82 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3gsp h GLU 82 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3gsp h GLU 82 CO 0.03 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.95 3gsp n ASN 83 N -4.38 4.02 -3.32 1.04 5.03 -1.26 -4.91 115.26 111.48 3gsp n ASN 83 Ca -0.03 -2.46 -0.24 0.00 0.87 0.00 0.00 54.58 52.73 3gsp n ASN 83 Cb 0.10 -0.55 0.05 0.00 -1.02 0.00 0.00 39.78 38.36 3gsp n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3gsp n ASN 84 N 0.70 -6.04 -4.83 6.41 4.05 -0.78 -4.99 115.26 109.79 3gsp n ASN 84 Ca 0.20 -0.42 -0.36 0.00 0.45 0.00 0.00 54.58 54.45 3gsp n ASN 84 Cb 0.79 -4.83 -0.07 0.00 1.23 0.00 0.00 39.78 36.91 3gsp n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3gsp s GLN 85 N -6.02 3.66 -0.11 1.20 -0.21 -1.26 -4.89 119.66 112.03 3gsp s GLN 85 Ca 0.44 -0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.36 3gsp s GLN 85 Cb -0.20 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.54 3gsp s GLN 85 CO 0.55 0.63 1.27 -1.17 -2.12 0.00 0.00 175.29 174.45 3gsp s LEU 86 N -0.59 4.23 -0.08 2.90 2.96 -1.26 -1.82 118.68 125.02 3gsp s LEU 86 Ca 0.13 1.79 -0.06 0.00 -0.22 0.00 0.00 54.13 55.77 3gsp s LEU 86 Cb -0.12 -3.55 -0.27 0.00 0.50 0.00 0.00 46.19 42.76 3gsp s LEU 86 CO 0.02 -0.71 0.51 0.00 -1.32 0.00 0.00 176.35 174.85 3gsp h ALA 87 N 8.02 0.39 0.00 5.97 0.00 -0.99 -3.46 119.26 129.19 3gsp h ALA 87 Ca -0.30 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.29 3gsp h ALA 87 Cb 1.13 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3gsp h ALA 87 CO 0.94 1.26 0.00 0.41 0.00 0.00 0.00 179.25 181.86 3gsp n GLY 88 N 1.89 -0.22 3.16 0.00 0.00 -1.10 -4.64 105.19 104.28 3gsp n GLY 88 Ca -0.27 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 3gsp n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gsp s VAL 89 N -2.00 2.03 0.30 1.61 1.01 -1.26 -1.01 120.40 121.08 3gsp s VAL 89 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.08 3gsp s VAL 89 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 3gsp s VAL 89 CO 0.00 0.54 -0.03 0.27 0.00 0.00 0.00 175.10 175.88 3gsp s ILE 90 N 0.89 1.61 0.03 2.22 -4.36 -0.66 -1.11 121.20 119.82 3gsp s ILE 90 Ca -0.05 -2.09 -0.17 0.00 -0.26 0.00 0.00 60.65 58.08 3gsp s ILE 90 Cb -0.15 -2.57 0.03 0.00 1.25 0.00 0.00 42.46 41.02 3gsp s ILE 90 CO -0.04 -0.22 0.37 0.28 0.24 0.00 0.00 174.94 175.58 3gsp s THR 91 N -3.02 0.06 -0.45 8.37 -1.32 0.07 -0.97 115.64 118.39 3gsp s THR 91 Ca 0.31 -0.52 0.23 0.00 -1.21 0.00 0.00 61.69 60.51 3gsp s THR 91 Cb 0.05 -0.90 0.22 0.00 -1.51 0.00 0.00 72.50 70.36 3gsp s THR 91 CO 0.13 -0.29 1.46 0.45 -2.21 0.00 0.00 174.62 174.16 3gsp h HIS 92 N 3.21 0.00 -2.54 9.09 3.86 -1.46 -0.41 115.15 126.89 3gsp h HIS 92 Ca -0.31 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.37 3gsp h HIS 92 Cb 1.20 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.69 3gsp h HIS 92 CO 0.44 0.00 1.11 0.99 0.86 0.00 0.00 177.93 181.33 3gsp s THR 93 N -3.23 2.93 0.00 2.45 2.01 -1.26 -1.96 115.64 116.58 3gsp s THR 93 Ca 0.05 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3gsp s THR 93 Cb 0.08 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.43 3gsp s THR 93 CO 0.70 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 3gsp n GLY 94 N 4.24 0.59 3.29 4.40 0.00 -1.26 -4.79 105.19 111.66 3gsp n GLY 94 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3gsp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gsp s ALA 95 N -2.04 1.97 0.39 4.61 0.00 -0.83 -4.97 121.76 120.89 3gsp s ALA 95 Ca 0.00 -1.16 -0.26 0.00 0.00 0.00 0.00 51.96 50.54 3gsp s ALA 95 Cb 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 3gsp s ALA 95 CO 0.00 0.45 1.28 -1.12 0.00 0.00 0.00 175.76 176.37 3gsp s SER 96 N -1.26 6.40 0.64 0.00 0.01 -1.26 -4.74 113.70 113.48 3gsp s SER 96 Ca 0.09 2.61 0.00 0.00 1.31 0.00 0.00 55.95 59.97 3gsp s SER 96 Cb -0.09 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3gsp s SER 96 CO 0.02 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.50 3gsp n GLY 97 N 0.69 2.86 1.81 3.44 0.00 -1.26 -1.52 105.19 111.20 3gsp n GLY 97 Ca 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 3gsp n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gsp n ASN 98 N 3.23 4.91 -4.86 1.61 5.03 -1.26 -4.97 115.26 118.94 3gsp n ASN 98 Ca 0.00 -3.14 -0.29 0.00 0.87 0.00 0.00 54.58 52.02 3gsp n ASN 98 Cb 0.00 -0.70 0.09 0.00 -1.02 0.00 0.00 39.78 38.15 3gsp n ASN 98 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3gsp s ASN 99 N -1.14 4.47 0.18 6.41 0.01 -0.58 -5.04 114.94 119.26 3gsp s ASN 99 Ca 0.53 0.70 0.08 0.00 -0.71 0.00 0.00 52.86 53.47 3gsp s ASN 99 Cb 0.42 -1.19 -0.04 0.00 0.41 0.00 0.00 41.25 40.85 3gsp s ASN 99 CO 0.13 -1.91 -0.17 -0.36 -1.51 0.00 0.00 177.10 173.29 3gsp s PHE 100 N -3.55 1.77 0.10 2.20 0.08 -1.26 -4.36 117.98 112.97 3gsp s PHE 100 Ca 0.62 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 57.19 3gsp s PHE 100 Cb -0.11 -0.86 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 3gsp s PHE 100 CO 0.49 0.35 -0.08 0.14 -0.10 0.00 0.00 175.22 176.02 3gsp s VAL 101 N -2.45 0.80 0.44 -0.44 -7.23 -0.16 -4.94 120.40 106.41 3gsp s VAL 101 Ca 0.19 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.32 3gsp s VAL 101 Cb -0.04 -1.56 -0.11 0.00 0.56 0.00 0.00 36.38 35.24 3gsp s VAL 101 CO 0.07 -0.76 0.95 -1.61 -0.31 0.00 0.00 175.10 173.45 3gsp s GLU 102 N -3.45 4.20 0.18 4.82 2.02 -1.26 -0.75 118.70 124.47 3gsp s GLU 102 Ca 0.10 1.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.92 3gsp s GLU 102 Cb 0.02 -2.18 -0.08 0.00 0.10 0.00 0.00 34.13 32.00 3gsp s GLU 102 CO -0.03 -0.05 0.85 0.00 0.02 0.00 0.00 175.26 176.05