#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7gsp h ASP 3 N 10.39 0.42 -3.81 0.00 3.32 -0.90 -3.43 116.42 122.42 7gsp h ASP 3 Ca -0.08 -0.20 -0.35 0.00 0.02 0.00 0.00 57.03 56.43 7gsp h ASP 3 Cb 1.04 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.17 7gsp h ASP 3 CO 1.33 0.83 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.61 7gsp s TYR 4 N -4.08 0.53 -0.23 4.55 2.02 -0.47 -4.95 117.35 114.72 7gsp s TYR 4 Ca -0.06 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 7gsp s TYR 4 Cb 0.12 -0.39 0.05 0.00 -0.40 0.00 0.00 41.96 41.34 7gsp s TYR 4 CO 0.80 -0.05 -0.12 0.99 -1.57 0.00 0.00 175.55 175.60 7gsp s THR 5 N 0.14 1.99 -0.48 -0.71 2.01 -1.26 -0.38 115.64 116.94 7gsp s THR 5 Ca -0.01 -1.35 -0.08 0.00 0.31 0.00 0.00 61.69 60.55 7gsp s THR 5 Cb -0.05 -2.05 0.12 0.00 0.01 0.00 0.00 72.50 70.53 7gsp s THR 5 CO -0.00 0.11 0.35 0.00 -0.69 0.00 0.00 174.62 174.38 7gsp n GLY 7 N 4.77 1.54 0.02 0.00 0.00 -1.26 -0.89 105.19 109.37 7gsp n GLY 7 Ca -0.06 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.23 7gsp n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 7gsp n SER 8 N 11.27 0.01 -4.75 1.61 7.64 -1.26 -4.96 113.62 123.18 7gsp n SER 8 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 7gsp n SER 8 Cb 0.00 1.84 -0.03 0.00 -1.01 0.00 0.00 64.21 65.01 7gsp n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 7gsp s ASN 9 N -4.67 6.92 -0.15 6.43 0.01 -0.07 -5.02 114.94 118.38 7gsp s ASN 9 Ca -0.08 2.45 -0.01 0.00 -0.71 0.00 0.00 52.86 54.51 7gsp s ASN 9 Cb 0.13 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 7gsp s ASN 9 CO 0.90 -0.47 -0.12 0.00 -1.51 0.00 0.00 177.10 175.89 7gsp s TYR 11 N 0.68 1.68 0.48 0.00 2.02 0.48 -5.00 117.35 117.70 7gsp s TYR 11 Ca -0.06 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 7gsp s TYR 11 Cb -0.15 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.41 7gsp s TYR 11 CO 0.02 0.06 0.68 -1.54 -1.57 0.00 0.00 175.55 173.21 7gsp s SER 12 N -1.05 5.52 0.40 2.29 1.04 -1.26 -0.18 113.70 120.47 7gsp s SER 12 Ca 0.06 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.52 7gsp s SER 12 Cb -0.08 -0.98 0.84 0.00 0.10 0.00 0.00 66.02 65.89 7gsp s SER 12 CO 0.01 -0.91 1.98 0.28 0.98 0.00 0.00 173.24 175.58 7gsp h SER 13 N 0.33 0.30 -0.17 7.02 0.02 -1.95 -2.05 113.55 117.05 7gsp h SER 13 Ca -0.43 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 7gsp h SER 13 Cb 1.28 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 7gsp h SER 13 CO 0.52 0.35 -0.31 0.77 -1.14 0.00 0.00 176.83 177.02 7gsp h SER 14 N 0.33 0.68 -0.16 3.07 4.64 -1.98 0.61 113.55 120.74 7gsp h SER 14 Ca 0.08 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 7gsp h SER 14 Cb 0.20 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 7gsp h SER 14 CO 0.00 0.95 0.10 0.44 -0.87 0.00 0.00 176.83 177.45 7gsp h ASP 15 N 0.56 0.20 -0.53 4.97 3.32 -1.77 -0.21 116.42 122.97 7gsp h ASP 15 Ca 0.07 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 7gsp h ASP 15 Cb 0.81 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 7gsp h ASP 15 CO 0.07 0.19 0.16 0.58 -1.72 0.00 0.00 179.24 178.51 7gsp h VAL 16 N 0.19 1.23 -0.80 -1.35 2.07 -1.30 -2.03 116.25 114.27 7gsp h VAL 16 Ca 0.06 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 7gsp h VAL 16 Cb 0.02 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 7gsp h VAL 16 CO -0.01 0.29 0.45 -1.28 0.02 0.00 0.00 177.57 177.04 7gsp h SER 17 N 0.73 0.98 -0.37 0.57 0.87 -0.67 -0.20 113.55 115.46 7gsp h SER 17 Ca 0.17 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 7gsp h SER 17 Cb 0.29 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 7gsp h SER 17 CO -0.00 0.78 -0.16 0.74 -0.53 0.00 0.00 176.83 177.66 7gsp h THR 18 N 1.11 1.28 -0.30 2.23 2.02 -0.81 -2.18 112.91 116.25 7gsp h THR 18 Ca 0.28 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 7gsp h THR 18 Cb 0.01 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 7gsp h THR 18 CO -0.05 0.42 0.02 0.00 0.37 0.00 0.00 175.52 176.28 7gsp h ALA 19 N 0.81 0.40 -0.62 6.16 0.00 -1.05 -2.84 119.26 122.12 7gsp h ALA 19 Ca 0.09 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.80 7gsp h ALA 19 Cb 0.70 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 7gsp h ALA 19 CO 0.05 0.13 0.39 0.37 0.00 0.00 0.00 179.25 180.19 7gsp h GLN 20 N 0.32 0.76 -0.78 0.00 4.15 -1.00 -0.79 115.11 117.76 7gsp h GLN 20 Ca 0.09 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 7gsp h GLN 20 Cb 0.40 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 7gsp h GLN 20 CO 0.01 0.50 0.41 0.00 -1.93 0.00 0.00 178.83 177.82 7gsp h ALA 21 N 1.26 1.25 -0.17 3.38 0.00 -1.36 0.86 119.26 124.49 7gsp h ALA 21 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 7gsp h ALA 21 Cb -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 7gsp h ALA 21 CO -0.09 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.60 7gsp h ALA 22 N 1.36 0.24 -0.42 0.00 0.00 -1.19 -1.94 119.26 117.31 7gsp h ALA 22 Ca 0.27 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 7gsp h ALA 22 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 7gsp h ALA 22 CO -0.04 0.14 0.10 0.78 0.00 0.00 0.00 179.25 180.22 7gsp h GLY 23 N 0.05 0.73 0.96 0.00 0.00 -0.94 -2.79 103.07 101.08 7gsp h GLY 23 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 7gsp h GLY 23 CO 0.04 0.43 0.21 -1.82 0.00 0.00 0.00 176.54 175.40 7gsp h TYR 24 N 0.54 0.54 -0.88 5.60 3.20 -0.84 -1.67 116.97 123.46 7gsp h TYR 24 Ca 0.13 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.08 7gsp h TYR 24 Cb 0.32 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.35 7gsp h TYR 24 CO 0.02 0.42 0.53 -0.22 -1.64 0.00 0.00 178.16 177.27 7gsp h LYS 25 N 0.49 0.86 -0.47 1.82 1.63 -1.28 0.25 116.57 119.88 7gsp h LYS 25 Ca 0.14 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 7gsp h LYS 25 Cb 0.07 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 7gsp h LYS 25 CO -0.02 0.57 0.10 -0.07 -3.45 0.00 0.00 179.45 176.58 7gsp h LEU 26 N 0.89 0.72 -0.54 5.20 3.38 -1.19 -1.32 115.31 122.45 7gsp h LEU 26 Ca 0.42 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.17 7gsp h LEU 26 Cb 0.34 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 7gsp h LEU 26 CO -0.23 0.78 0.33 -0.74 0.09 0.00 0.00 178.44 178.67 7gsp h HIS 27 N 0.63 0.62 -0.77 1.13 2.76 -0.33 0.72 115.15 119.92 7gsp h HIS 27 Ca 0.15 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 7gsp h HIS 27 Cb 0.35 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 7gsp h HIS 27 CO 0.02 0.36 0.47 1.49 -1.30 0.00 0.00 177.93 178.97 7gsp h GLU 28 N 0.66 1.03 0.00 5.26 4.81 -0.76 -2.03 114.58 123.55 7gsp h GLU 28 Ca 0.22 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 7gsp h GLU 28 Cb 0.01 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.17 7gsp h GLU 28 CO -0.09 0.72 0.00 -0.25 -0.73 0.00 0.00 179.01 178.66 7gsp n ASP 29 N -4.51 0.42 -0.83 1.04 8.00 -0.52 -4.91 116.55 115.24 7gsp n ASP 29 Ca 0.07 0.56 -0.04 0.00 0.71 0.00 0.00 54.79 56.08 7gsp n ASP 29 Cb 0.05 -0.66 0.01 0.00 -0.02 0.00 0.00 41.12 40.49 7gsp n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 7gsp n GLY 30 N 0.99 0.47 3.43 0.44 0.00 0.07 -5.05 105.19 105.54 7gsp n GLY 30 Ca 0.05 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 7gsp n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 7gsp s GLU 31 N -4.81 1.56 0.03 1.61 2.02 -0.17 -5.03 118.70 113.92 7gsp s GLU 31 Ca 0.07 -1.55 -0.00 0.00 0.02 0.00 0.00 54.97 53.51 7gsp s GLU 31 Cb -0.03 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 7gsp s GLU 31 CO 0.08 0.39 -0.03 0.95 0.02 0.00 0.00 175.26 176.67 7gsp s THR 32 N -1.78 0.16 0.09 3.63 -4.23 -1.26 -4.23 115.64 108.03 7gsp s THR 32 Ca 0.22 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.48 7gsp s THR 32 Cb -0.08 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 7gsp s THR 32 CO 0.11 -0.70 -0.09 0.68 -0.54 0.00 0.00 174.62 174.08 7gsp s VAL 33 N -2.45 0.82 0.00 2.29 -7.23 0.35 -4.88 120.40 109.30 7gsp s VAL 33 Ca -0.07 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 7gsp s VAL 33 Cb -0.03 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.55 7gsp s VAL 33 CO -0.05 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.72 7gsp n GLY 34 N 0.49 -0.42 0.28 2.32 0.00 -1.25 -1.15 105.19 105.46 7gsp n GLY 34 Ca -0.16 -1.62 0.17 0.00 0.00 0.00 0.00 46.02 44.41 7gsp n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 7gsp h SER 35 N 0.00 0.00 -0.35 1.61 4.64 -1.88 -2.33 113.55 115.25 7gsp h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 7gsp h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 7gsp h SER 35 CO 0.00 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.56 7gsp n ASN 36 N -3.11 2.10 -3.49 4.97 3.02 -1.26 -4.98 115.26 112.50 7gsp n ASN 36 Ca 0.00 -1.93 -0.18 0.00 -0.03 0.00 0.00 54.58 52.44 7gsp n ASN 36 Cb 0.30 -0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.25 7gsp n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 7gsp n SER 37 N 0.63 -6.07 -4.84 6.41 7.64 -0.88 -4.82 113.62 111.70 7gsp n SER 37 Ca 0.14 -0.67 -0.35 0.00 1.01 0.00 0.00 58.87 59.00 7gsp n SER 37 Cb 0.35 -3.55 -0.06 0.00 -1.01 0.00 0.00 64.21 59.94 7gsp n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 7gsp s TYR 38 N -3.15 3.60 0.24 1.43 2.02 -0.30 -3.53 117.35 117.66 7gsp s TYR 38 Ca 0.16 1.14 -0.30 0.00 -0.37 0.00 0.00 57.07 57.71 7gsp s TYR 38 Cb -0.06 -2.44 -0.09 0.00 -0.40 0.00 0.00 41.96 38.98 7gsp s TYR 38 CO 0.83 0.39 0.93 -1.25 -1.57 0.00 0.00 175.55 174.88 7gsp s PRO 39 N -2.03 4.84 0.20 -1.71 0.04 -1.26 -0.50 135.00 134.58 7gsp s PRO 39 Ca 0.40 1.47 0.06 0.00 0.04 0.00 0.00 61.00 62.98 7gsp s PRO 39 Cb -0.15 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 7gsp s PRO 39 CO 0.20 0.52 -0.10 -3.38 0.04 0.00 0.00 177.00 174.27 7gsp s HIS 40 N -1.17 1.62 0.22 0.56 -3.43 -1.09 -4.92 115.29 107.08 7gsp s HIS 40 Ca 0.41 -0.68 -0.32 0.00 -0.80 0.00 0.00 55.06 53.67 7gsp s HIS 40 Cb -0.26 -0.82 -0.14 0.00 -1.43 0.00 0.00 32.58 29.93 7gsp s HIS 40 CO 0.32 0.23 1.30 1.63 -2.00 0.00 0.00 174.74 176.22 7gsp n LYS 41 N -0.37 1.68 -3.92 -0.38 5.02 -1.26 -0.72 118.16 118.20 7gsp n LYS 41 Ca -0.08 0.60 -0.35 0.00 -2.02 0.00 0.00 58.31 56.46 7gsp n LYS 41 Cb 0.61 -2.18 -0.14 0.00 -0.02 0.00 0.00 35.03 33.30 7gsp n LYS 41 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 7gsp s TYR 42 N -0.17 3.31 -1.17 2.13 5.04 -0.02 -4.71 117.35 121.76 7gsp s TYR 42 Ca 0.69 -2.01 0.28 0.00 -2.44 0.00 0.00 57.07 53.60 7gsp s TYR 42 Cb -0.73 -2.20 1.28 0.00 0.35 0.00 0.00 41.96 40.67 7gsp s TYR 42 CO 0.51 -0.83 1.92 0.09 -1.34 0.00 0.00 175.55 175.91 7gsp n ASN 43 N 4.58 0.00 -2.59 4.32 3.02 -1.26 -4.09 115.26 119.24 7gsp n ASN 43 Ca -0.12 0.26 -0.14 0.00 -0.03 0.00 0.00 54.58 54.55 7gsp n ASN 43 Cb 0.43 -0.42 0.06 0.00 -0.61 0.00 0.00 39.78 39.24 7gsp n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 7gsp n ASN 44 N -1.42 -3.76 0.26 6.41 5.15 -1.26 -4.92 115.26 115.73 7gsp n ASN 44 Ca 0.09 -0.38 0.11 0.00 -0.60 0.00 0.00 54.58 53.80 7gsp n ASN 44 Cb 0.29 -3.56 0.72 0.00 -0.53 0.00 0.00 39.78 36.70 7gsp n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 7gsp h TYR 45 N -1.60 0.00 0.00 1.20 0.05 -2.00 -0.28 116.97 114.34 7gsp h TYR 45 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 7gsp h TYR 45 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 7gsp h TYR 45 CO 0.32 0.09 0.00 0.93 -1.05 0.00 0.00 178.16 178.45 7gsp h GLU 46 N 0.00 0.00 -3.44 4.88 3.07 -1.94 -3.47 114.58 113.68 7gsp h GLU 46 Ca -0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.68 7gsp h GLU 46 Cb 0.20 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.18 7gsp h GLU 46 CO 0.01 0.00 -0.34 0.41 -1.40 0.00 0.00 179.01 177.69 7gsp n GLY 47 N 0.32 0.19 3.76 -3.84 0.00 -0.12 -4.99 105.19 100.51 7gsp n GLY 47 Ca 0.02 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 7gsp n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 7gsp s PHE 48 N -3.16 3.42 -1.53 1.61 0.08 -1.26 -4.91 117.98 112.23 7gsp s PHE 48 Ca 0.21 1.62 -0.09 0.00 0.12 0.00 0.00 56.93 58.79 7gsp s PHE 48 Cb -0.09 -3.38 -0.02 0.00 -0.57 0.00 0.00 43.02 38.96 7gsp s PHE 48 CO 0.35 -0.90 2.78 -0.25 -0.10 0.00 0.00 175.22 177.10 7gsp n ASP 49 N 1.01 8.55 -4.73 1.36 8.00 -1.26 -4.97 116.55 124.52 7gsp n ASP 49 Ca -0.00 -2.76 -0.42 0.00 0.71 0.00 0.00 54.79 52.32 7gsp n ASP 49 Cb 0.44 -1.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.04 7gsp n ASP 49 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 7gsp n PHE 50 N 2.98 2.57 0.43 1.24 3.72 -1.26 -4.91 117.46 122.22 7gsp n PHE 50 Ca 0.74 0.50 0.12 0.00 -0.05 0.00 0.00 57.45 58.76 7gsp n PHE 50 Cb 0.23 -2.47 0.22 0.00 -0.94 0.00 0.00 39.48 36.53 7gsp n PHE 50 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 7gsp h SER 51 N 2.82 0.00 -2.40 4.37 4.64 -1.93 -3.45 113.55 117.59 7gsp h SER 51 Ca -0.48 -0.06 -0.51 0.00 -0.47 0.00 0.00 61.79 60.28 7gsp h SER 51 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 7gsp h SER 51 CO 0.64 0.03 -0.46 0.68 -0.87 0.00 0.00 176.83 176.85 7gsp s VAL 52 N -3.19 5.19 0.45 0.95 -7.23 -1.26 -5.10 120.40 110.21 7gsp s VAL 52 Ca 0.07 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.25 7gsp s VAL 52 Cb 0.10 -3.73 -0.06 0.00 0.56 0.00 0.00 36.38 33.24 7gsp s VAL 52 CO 0.68 -0.20 0.84 -0.94 -0.31 0.00 0.00 175.10 175.16 7gsp s SER 53 N -3.55 6.51 1.02 4.85 1.04 -1.26 -5.03 113.70 117.28 7gsp s SER 53 Ca 0.34 1.24 -0.15 0.00 0.48 0.00 0.00 55.95 57.86 7gsp s SER 53 Cb -0.10 -2.37 0.21 0.00 0.10 0.00 0.00 66.02 63.85 7gsp s SER 53 CO 0.28 -0.48 1.17 -1.54 0.98 0.00 0.00 173.24 173.65 7gsp n SER 54 N -1.50 -0.08 -4.76 7.02 3.41 -1.26 -4.75 113.62 111.70 7gsp n SER 54 Ca 0.03 -1.40 -0.39 0.00 -0.26 0.00 0.00 58.87 56.85 7gsp n SER 54 Cb 0.54 -0.90 0.01 0.00 -0.26 0.00 0.00 64.21 63.60 7gsp n SER 54 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 7gsp s PRO 55 N -5.56 3.64 0.13 4.33 0.04 -1.26 -4.84 135.00 131.48 7gsp s PRO 55 Ca 0.67 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.98 7gsp s PRO 55 Cb -0.02 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 7gsp s PRO 55 CO 0.47 -0.79 0.15 0.71 0.04 0.00 0.00 177.00 177.58 7gsp s TYR 56 N -1.28 3.24 0.00 0.56 2.02 -1.26 -3.47 117.35 117.17 7gsp s TYR 56 Ca 0.63 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 57.38 7gsp s TYR 56 Cb -0.40 -1.59 -0.00 0.00 -0.40 0.00 0.00 41.96 39.57 7gsp s TYR 56 CO 0.50 0.52 -0.03 0.71 -1.57 0.00 0.00 175.55 175.69 7gsp s TYR 57 N -1.63 0.23 0.04 2.71 1.51 -0.25 -0.85 117.35 119.13 7gsp s TYR 57 Ca 0.31 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.29 7gsp s TYR 57 Cb -0.11 -0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 7gsp s TYR 57 CO 0.24 -0.02 0.10 -1.83 -1.11 0.00 0.00 175.55 172.93 7gsp s GLU 58 N -0.21 3.04 -0.07 -0.62 -1.05 0.10 -1.79 118.70 118.10 7gsp s GLU 58 Ca -0.01 -0.57 -0.05 0.00 -0.15 0.00 0.00 54.97 54.20 7gsp s GLU 58 Cb -0.02 -2.83 0.03 0.00 -0.44 0.00 0.00 34.13 30.87 7gsp s GLU 58 CO -0.00 0.61 0.18 -0.46 0.95 0.00 0.00 175.26 176.53 7gsp s TRP 59 N -1.33 -0.21 0.27 4.83 -0.11 -0.55 -2.66 118.94 119.19 7gsp s TRP 59 Ca 0.28 0.52 -0.29 0.00 1.22 0.00 0.00 56.10 57.82 7gsp s TRP 59 Cb -0.12 0.02 -0.10 0.00 -1.50 0.00 0.00 33.47 31.77 7gsp s TRP 59 CO 0.20 -0.14 1.25 -2.14 -4.62 0.00 0.00 176.95 171.50 7gsp s PRO 60 N 0.61 4.44 -0.14 5.86 0.02 -1.26 -0.23 135.00 144.29 7gsp s PRO 60 Ca -0.04 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.03 7gsp s PRO 60 Cb -0.06 -3.15 -0.00 0.00 0.02 0.00 0.00 34.50 31.31 7gsp s PRO 60 CO -0.03 -0.10 -0.16 -1.50 -0.33 0.00 0.00 177.00 174.88 7gsp s ILE 61 N -0.71 2.67 -0.17 2.83 2.07 -0.84 -4.50 121.20 122.55 7gsp s ILE 61 Ca 0.50 -0.78 -0.08 0.00 -1.41 0.00 0.00 60.65 58.88 7gsp s ILE 61 Cb -0.36 -2.11 -0.04 0.00 0.13 0.00 0.00 42.46 40.07 7gsp s ILE 61 CO 0.45 0.52 0.12 -0.76 -1.91 0.00 0.00 174.94 173.36 7gsp s LEU 62 N 0.63 4.18 0.63 8.50 1.43 -1.26 -4.40 118.68 128.38 7gsp s LEU 62 Ca -0.09 0.28 0.40 0.00 -1.03 0.00 0.00 54.13 53.69 7gsp s LEU 62 Cb -0.16 -2.05 2.14 0.00 0.03 0.00 0.00 46.19 46.14 7gsp s LEU 62 CO 0.03 0.26 2.28 0.77 0.23 0.00 0.00 176.35 179.92 7gsp h SER 63 N 6.11 0.00 0.47 2.29 4.64 -1.96 -0.76 113.55 124.34 7gsp h SER 63 Ca -0.45 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 7gsp h SER 63 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 7gsp h SER 63 CO 0.69 0.01 -0.35 0.77 -0.87 0.00 0.00 176.83 177.08 7gsp h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.46 113.55 117.70 7gsp h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 7gsp h SER 64 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 7gsp h SER 64 CO 0.00 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 7gsp n GLY 65 N -0.34 0.37 3.85 -0.77 0.00 -0.29 -5.07 105.19 102.94 7gsp n GLY 65 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 7gsp n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 7gsp s ASP 66 N -2.48 6.39 0.02 1.61 1.01 -1.26 -5.01 116.67 116.95 7gsp s ASP 66 Ca 0.00 1.51 -0.20 0.00 0.71 0.00 0.00 52.55 54.57 7gsp s ASP 66 Cb 0.00 -2.49 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 7gsp s ASP 66 CO 0.00 -0.76 0.58 -0.69 0.21 0.00 0.00 175.17 174.52 7gsp s VAL 67 N -2.87 4.86 0.37 -1.27 1.01 -1.26 -4.24 120.40 117.00 7gsp s VAL 67 Ca 0.57 1.23 -0.27 0.00 0.00 0.00 0.00 61.98 63.51 7gsp s VAL 67 Cb -0.11 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 7gsp s VAL 67 CO 0.42 0.46 1.29 0.00 0.00 0.00 0.00 175.10 177.28 7gsp n TYR 68 N 2.39 2.26 -1.42 5.22 9.36 -1.26 -4.93 117.16 128.78 7gsp n TYR 68 Ca -0.08 0.53 0.00 0.00 3.32 0.00 0.00 57.90 61.67 7gsp n TYR 68 Cb 0.51 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 7gsp n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 7gsp n SER 69 N 0.55 0.00 0.00 2.98 3.41 -1.26 -5.03 113.62 114.28 7gsp n SER 69 Ca 0.05 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 7gsp n SER 69 Cb 0.37 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 7gsp n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 7gsp n GLY 70 N 0.00 1.31 0.00 5.00 0.00 -1.26 -4.74 105.19 105.49 7gsp n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 7gsp n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7gsp n GLY 71 N 0.00 1.38 3.69 -0.02 0.00 -1.26 -3.84 105.19 105.15 7gsp n GLY 71 Ca 0.00 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 7gsp n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 7gsp s SER 72 N -1.00 6.51 0.40 1.61 0.01 -1.26 -4.81 113.70 115.16 7gsp s SER 72 Ca 0.00 2.64 0.22 0.00 1.31 0.00 0.00 55.95 60.12 7gsp s SER 72 Cb 0.00 -2.57 0.49 0.00 0.21 0.00 0.00 66.02 64.15 7gsp s SER 72 CO 0.00 -0.94 1.64 1.55 0.41 0.00 0.00 173.24 175.91 7gsp h PRO 73 N 8.22 0.00 0.00 12.44 0.13 -1.99 -3.50 132.00 147.30 7gsp h PRO 73 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 7gsp h PRO 73 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 7gsp h PRO 73 CO 0.94 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 7gsp n GLY 74 N 0.84 -1.71 0.00 1.56 0.00 -1.26 -4.53 105.19 100.09 7gsp n GLY 74 Ca 0.02 -1.35 0.09 0.00 0.00 0.00 0.00 46.02 44.78 7gsp n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7gsp n ALA 75 N 1.15 3.66 -2.77 4.61 0.00 -1.26 -5.00 120.51 120.90 7gsp n ALA 75 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 53.44 52.61 7gsp n ALA 75 Cb 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 7gsp n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 7gsp s ASP 76 N -3.32 6.48 0.01 0.00 1.01 -1.26 -0.78 116.67 118.81 7gsp s ASP 76 Ca 0.01 0.54 -0.02 0.00 0.71 0.00 0.00 52.55 53.79 7gsp s ASP 76 Cb 0.13 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.97 7gsp s ASP 76 CO 0.76 0.25 0.03 -0.13 0.21 0.00 0.00 175.17 176.29 7gsp s ARG 77 N -1.78 0.30 -0.09 8.23 1.81 -0.18 -1.98 118.95 125.25 7gsp s ARG 77 Ca 0.28 -0.41 -0.03 0.00 -1.72 0.00 0.00 55.73 53.84 7gsp s ARG 77 Cb -0.13 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 7gsp s ARG 77 CO 0.16 -0.06 0.04 0.08 -0.68 0.00 0.00 175.30 174.85 7gsp s VAL 78 N -1.12 4.68 -0.14 3.52 1.01 0.67 -1.57 120.40 127.45 7gsp s VAL 78 Ca -0.12 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.75 7gsp s VAL 78 Cb -0.07 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 7gsp s VAL 78 CO -0.00 0.60 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 7gsp s VAL 79 N -0.94 2.61 0.26 2.92 1.01 0.13 -1.48 120.40 124.91 7gsp s VAL 79 Ca 0.14 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.34 7gsp s VAL 79 Cb -0.12 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 7gsp s VAL 79 CO 0.03 0.53 0.07 0.72 0.00 0.00 0.00 175.10 176.45 7gsp s PHE 80 N 0.64 1.59 0.37 5.22 -0.12 -0.74 -0.43 117.98 124.50 7gsp s PHE 80 Ca -0.09 -1.09 0.01 0.00 -0.05 0.00 0.00 56.93 55.71 7gsp s PHE 80 Cb -0.16 -0.95 0.01 0.00 -0.63 0.00 0.00 43.02 41.30 7gsp s PHE 80 CO 0.03 -0.23 0.11 0.27 -0.05 0.00 0.00 175.22 175.35 7gsp n ASN 81 N -0.48 2.71 0.21 1.98 0.23 -0.66 -1.09 115.26 118.16 7gsp n ASN 81 Ca -0.02 -2.48 0.15 0.00 -0.53 0.00 0.00 54.58 51.70 7gsp n ASN 81 Cb 0.66 0.15 0.69 0.00 -2.08 0.00 0.00 39.78 39.19 7gsp n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 7gsp h GLU 82 N 0.00 0.00 -0.36 -3.83 5.08 -1.85 -0.57 114.58 113.05 7gsp h GLU 82 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 7gsp h GLU 82 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 7gsp h GLU 82 CO 0.45 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 7gsp n ASN 83 N -2.58 2.21 -3.61 1.42 3.02 -1.26 -4.94 115.26 109.52 7gsp n ASN 83 Ca -0.00 -1.92 -0.21 0.00 -0.03 0.00 0.00 54.58 52.41 7gsp n ASN 83 Cb 0.17 -0.24 0.06 0.00 -0.61 0.00 0.00 39.78 39.16 7gsp n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 7gsp n ASN 84 N 0.69 -2.78 -4.61 6.41 4.05 -0.22 -5.00 115.26 113.80 7gsp n ASN 84 Ca 0.15 -0.70 -0.32 0.00 0.45 0.00 0.00 54.58 54.17 7gsp n ASN 84 Cb 0.37 -4.59 -0.10 0.00 1.23 0.00 0.00 39.78 36.69 7gsp n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 7gsp s GLN 85 N -5.88 2.52 -0.10 1.20 -0.21 -1.26 -4.92 119.66 111.01 7gsp s GLN 85 Ca 0.18 -0.77 -0.28 0.00 0.02 0.00 0.00 55.36 54.51 7gsp s GLN 85 Cb -0.08 -2.50 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 7gsp s GLN 85 CO 0.77 0.58 0.94 -1.17 -2.12 0.00 0.00 175.29 174.29 7gsp s LEU 86 N -1.67 4.26 -0.12 2.90 2.96 -1.26 -1.66 118.68 124.09 7gsp s LEU 86 Ca 0.19 1.44 -0.08 0.00 -0.22 0.00 0.00 54.13 55.46 7gsp s LEU 86 Cb -0.11 -3.44 -0.26 0.00 0.50 0.00 0.00 46.19 42.88 7gsp s LEU 86 CO 0.10 -0.38 0.37 0.00 -1.32 0.00 0.00 176.35 175.12 7gsp n ALA 87 N 4.76 0.86 0.00 5.97 0.00 0.42 -4.85 120.51 127.68 7gsp n ALA 87 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.94 7gsp n ALA 87 Cb 0.49 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.26 7gsp n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 7gsp n GLY 88 N 1.95 0.03 3.20 0.00 0.00 -1.09 -4.67 105.19 104.60 7gsp n GLY 88 Ca -0.32 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 7gsp n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7gsp s VAL 89 N -2.00 2.38 0.31 1.61 1.01 -1.26 -0.69 120.40 121.77 7gsp s VAL 89 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.17 7gsp s VAL 89 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 7gsp s VAL 89 CO 0.00 0.52 0.04 0.27 0.00 0.00 0.00 175.10 175.93 7gsp s ILE 90 N 1.03 1.25 -0.00 2.22 -4.36 -0.61 -0.84 121.20 119.90 7gsp s ILE 90 Ca -0.01 -2.02 -0.19 0.00 -0.26 0.00 0.00 60.65 58.17 7gsp s ILE 90 Cb -0.15 -2.72 0.04 0.00 1.25 0.00 0.00 42.46 40.88 7gsp s ILE 90 CO -0.05 -0.06 0.41 0.28 0.24 0.00 0.00 174.94 175.76 7gsp s THR 91 N -3.26 0.05 -0.49 8.37 -1.32 0.06 -1.01 115.64 118.03 7gsp s THR 91 Ca 0.35 -0.38 0.24 0.00 -1.21 0.00 0.00 61.69 60.68 7gsp s THR 91 Cb 0.08 -0.80 0.33 0.00 -1.51 0.00 0.00 72.50 70.59 7gsp s THR 91 CO 0.15 -0.21 1.63 0.45 -2.21 0.00 0.00 174.62 174.43 7gsp h HIS 92 N 3.42 0.00 -2.47 9.09 3.86 -1.17 -0.42 115.15 127.47 7gsp h HIS 92 Ca -0.30 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.37 7gsp h HIS 92 Cb 1.18 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.66 7gsp h HIS 92 CO 0.46 0.00 1.18 0.99 0.86 0.00 0.00 177.93 181.42 7gsp s THR 93 N -3.19 3.26 0.00 2.45 2.01 -1.26 -1.82 115.64 117.09 7gsp s THR 93 Ca 0.08 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.39 7gsp s THR 93 Cb 0.06 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.37 7gsp s THR 93 CO 0.66 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 7gsp n GLY 94 N 4.41 0.75 3.55 4.40 0.00 -1.26 -4.75 105.19 112.29 7gsp n GLY 94 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 7gsp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7gsp s ALA 95 N -2.48 2.87 0.47 4.61 0.00 -0.76 -4.96 121.76 121.51 7gsp s ALA 95 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 7gsp s ALA 95 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 7gsp s ALA 95 CO 0.00 0.60 0.71 -1.54 0.00 0.00 0.00 175.76 175.52 7gsp s SER 96 N -2.30 5.83 0.92 0.00 1.04 -1.26 -4.82 113.70 113.11 7gsp s SER 96 Ca 0.21 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.02 7gsp s SER 96 Cb -0.11 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.41 7gsp s SER 96 CO 0.13 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.22 7gsp n GLY 97 N -2.15 2.80 1.75 7.32 0.00 -1.26 -1.50 105.19 112.16 7gsp n GLY 97 Ca 0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 7gsp n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 7gsp n ASN 98 N 1.88 3.55 -4.90 1.61 5.15 -1.26 -5.00 115.26 116.29 7gsp n ASN 98 Ca 0.00 -3.72 -0.29 0.00 -0.60 0.00 0.00 54.58 49.97 7gsp n ASN 98 Cb 0.00 -0.74 0.06 0.00 -0.53 0.00 0.00 39.78 38.57 7gsp n ASN 98 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 7gsp s ASN 99 N -2.02 5.16 0.17 1.20 0.01 -0.56 -5.07 114.94 113.83 7gsp s ASN 99 Ca 0.52 0.91 0.08 0.00 -0.71 0.00 0.00 52.86 53.66 7gsp s ASN 99 Cb 0.45 -1.64 -0.04 0.00 0.41 0.00 0.00 41.25 40.43 7gsp s ASN 99 CO 0.04 -1.47 -0.17 -0.36 -1.51 0.00 0.00 177.10 173.63 7gsp s PHE 100 N -3.35 1.77 0.16 2.20 0.08 -1.26 -4.42 117.98 113.15 7gsp s PHE 100 Ca 0.59 -0.49 0.06 0.00 0.12 0.00 0.00 56.93 57.21 7gsp s PHE 100 Cb -0.11 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 7gsp s PHE 100 CO 0.49 0.32 -0.14 0.14 -0.10 0.00 0.00 175.22 175.93 7gsp s VAL 101 N -2.18 1.47 0.40 -0.44 -7.23 -0.17 -4.94 120.40 107.31 7gsp s VAL 101 Ca 0.16 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.17 7gsp s VAL 101 Cb -0.05 -1.80 -0.10 0.00 0.56 0.00 0.00 36.38 34.99 7gsp s VAL 101 CO 0.06 -0.55 0.87 -1.61 -0.31 0.00 0.00 175.10 173.56 7gsp s GLU 102 N -3.27 4.09 0.31 4.82 2.02 -1.26 -0.76 118.70 124.65 7gsp s GLU 102 Ca 0.16 0.90 -0.19 0.00 0.02 0.00 0.00 54.97 55.86 7gsp s GLU 102 Cb -0.02 -2.28 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 7gsp s GLU 102 CO 0.04 0.01 0.79 0.00 0.02 0.00 0.00 175.26 176.12