#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 0.00 0.08 -3.66 0.00 3.32 -0.83 -3.44 116.42 111.90 7gsp h ASP 3 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 57.03 56.71 7gsp h ASP 3 Cb 0.77 -0.02 -0.31 0.00 0.22 0.00 0.00 39.33 39.99 7gsp h ASP 3 CO 0.00 0.63 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.11 7gsp s TYR 4 N -3.75 0.20 -0.23 4.55 2.02 -0.63 -4.95 117.35 114.55 7gsp s TYR 4 Ca -0.02 0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 7gsp s TYR 4 Cb 0.13 -0.23 0.04 0.00 -0.40 0.00 0.00 41.96 41.50 7gsp s TYR 4 CO 0.77 -0.06 -0.13 0.99 -1.57 0.00 0.00 175.55 175.55 7gsp s THR 5 N 0.46 2.29 -0.44 -0.71 2.01 -1.26 -0.81 115.64 117.18 7gsp s THR 5 Ca -0.04 -1.29 -0.05 0.00 0.31 0.00 0.00 61.69 60.62 7gsp s THR 5 Cb -0.07 -2.19 0.12 0.00 0.01 0.00 0.00 72.50 70.37 7gsp s THR 5 CO -0.01 0.20 0.27 0.00 -0.69 0.00 0.00 174.62 174.38 7gsp n GLY 7 N 4.67 2.35 0.00 0.00 0.00 -1.26 -0.99 105.19 109.96 7gsp n GLY 7 Ca -0.04 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.14 7gsp n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 7gsp n SER 8 N 10.31 0.76 -4.73 1.61 3.41 -1.26 -4.96 113.62 118.76 7gsp n SER 8 Ca 0.00 -0.61 -0.41 0.00 -0.26 0.00 0.00 58.87 57.59 7gsp n SER 8 Cb 0.00 1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 65.24 7gsp n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 7gsp s ASN 9 N -3.33 7.07 -0.15 4.04 0.01 -0.16 -5.03 114.94 117.39 7gsp s ASN 9 Ca 0.02 2.19 -0.03 0.00 -0.71 0.00 0.00 52.86 54.34 7gsp s ASN 9 Cb 0.14 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 7gsp s ASN 9 CO 0.80 -0.41 -0.05 0.00 -1.51 0.00 0.00 177.10 175.92 7gsp s TYR 11 N 0.28 1.64 0.56 0.00 2.02 0.01 -4.82 117.35 117.04 7gsp s TYR 11 Ca -0.04 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 7gsp s TYR 11 Cb -0.14 -1.01 0.05 0.00 -0.40 0.00 0.00 41.96 40.46 7gsp s TYR 11 CO 0.03 0.03 0.78 -1.54 -1.57 0.00 0.00 175.55 173.28 7gsp s SER 12 N -0.81 5.16 0.32 2.29 1.04 -1.26 -0.09 113.70 120.36 7gsp s SER 12 Ca 0.06 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.31 7gsp s SER 12 Cb -0.08 -0.57 0.56 0.00 0.10 0.00 0.00 66.02 66.03 7gsp s SER 12 CO 0.01 -1.22 1.82 0.28 0.98 0.00 0.00 173.24 175.11 7gsp h SER 13 N 0.08 0.45 0.22 7.02 0.02 -1.99 -2.41 113.55 116.93 7gsp h SER 13 Ca -0.39 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.35 7gsp h SER 13 Cb 1.29 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 7gsp h SER 13 CO 0.48 0.60 -0.38 0.77 -1.14 0.00 0.00 176.83 177.15 7gsp h SER 14 N 0.43 0.24 -0.17 3.07 4.64 -1.99 -0.08 113.55 119.70 7gsp h SER 14 Ca 0.08 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 7gsp h SER 14 Cb 0.46 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 7gsp h SER 14 CO 0.03 0.60 0.05 0.44 -0.87 0.00 0.00 176.83 177.08 7gsp h ASP 15 N 0.20 0.24 -0.31 4.97 3.32 -1.83 -1.22 116.42 121.78 7gsp h ASP 15 Ca 0.02 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 7gsp h ASP 15 Cb 0.76 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 7gsp h ASP 15 CO 0.06 0.38 0.16 0.58 -1.72 0.00 0.00 179.24 178.70 7gsp h VAL 16 N 0.09 1.15 -0.97 -1.35 2.07 -1.18 -2.01 116.25 114.06 7gsp h VAL 16 Ca 0.05 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.17 7gsp h VAL 16 Cb 0.23 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 7gsp h VAL 16 CO -0.00 0.16 0.64 0.28 0.02 0.00 0.00 177.57 178.66 7gsp h SER 17 N 0.37 1.09 -0.22 0.57 0.02 -0.93 -0.39 113.55 114.07 7gsp h SER 17 Ca 0.11 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 7gsp h SER 17 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 7gsp h SER 17 CO -0.01 0.78 0.08 0.74 -1.14 0.00 0.00 176.83 177.27 7gsp h THR 18 N 1.28 1.18 -0.20 -2.27 2.02 -1.01 0.26 112.91 114.18 7gsp h THR 18 Ca 0.36 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 7gsp h THR 18 Cb -0.10 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 7gsp h THR 18 CO -0.09 0.18 0.09 0.00 0.37 0.00 0.00 175.52 176.07 7gsp h ALA 19 N 0.91 0.25 -0.35 6.16 0.00 -1.06 -2.65 119.26 122.52 7gsp h ALA 19 Ca 0.07 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.92 7gsp h ALA 19 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 7gsp h ALA 19 CO -0.00 -0.17 0.15 0.37 0.00 0.00 0.00 179.25 179.59 7gsp h GLN 20 N 0.17 0.30 -0.91 0.00 4.15 -0.97 -1.38 115.11 116.47 7gsp h GLN 20 Ca 0.07 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.49 7gsp h GLN 20 Cb 0.15 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 7gsp h GLN 20 CO -0.01 0.20 0.60 0.00 -1.93 0.00 0.00 178.83 177.69 7gsp h ALA 21 N 1.20 1.39 -0.28 3.38 0.00 -0.82 -0.59 119.26 123.56 7gsp h ALA 21 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 7gsp h ALA 21 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 7gsp h ALA 21 CO -0.13 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.63 7gsp h ALA 22 N 1.45 0.37 -0.49 0.00 0.00 -1.02 -2.16 119.26 117.42 7gsp h ALA 22 Ca 0.35 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 7gsp h ALA 22 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 7gsp h ALA 22 CO -0.10 0.14 -0.07 0.78 0.00 0.00 0.00 179.25 180.00 7gsp h GLY 23 N 0.28 0.99 0.95 0.00 0.00 -0.89 -2.88 103.07 101.52 7gsp h GLY 23 Ca 0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 7gsp h GLY 23 CO 0.02 0.72 0.17 -1.82 0.00 0.00 0.00 176.54 175.62 7gsp h TYR 24 N 0.77 0.68 -0.86 5.60 3.20 -1.10 -1.15 116.97 124.12 7gsp h TYR 24 Ca 0.13 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.02 7gsp h TYR 24 Cb 0.61 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 7gsp h TYR 24 CO 0.05 0.60 0.52 -0.22 -1.64 0.00 0.00 178.16 177.46 7gsp h LYS 25 N 0.57 0.88 -0.51 1.82 1.63 -1.35 0.26 116.57 119.87 7gsp h LYS 25 Ca 0.15 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.79 7gsp h LYS 25 Cb 0.21 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 7gsp h LYS 25 CO -0.01 0.58 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.41 7gsp h LEU 26 N 0.90 0.96 -0.38 5.20 3.38 -1.25 -1.07 115.31 123.04 7gsp h LEU 26 Ca 0.39 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 58.03 7gsp h LEU 26 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 7gsp h LEU 26 CO -0.21 1.08 0.22 -0.74 0.09 0.00 0.00 178.44 178.89 7gsp h HIS 27 N 0.82 0.42 -0.16 1.13 2.76 0.05 -0.13 115.15 120.04 7gsp h HIS 27 Ca 0.13 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 7gsp h HIS 27 Cb 0.64 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.42 7gsp h HIS 27 CO 0.05 0.25 -0.14 0.93 -1.30 0.00 0.00 177.93 177.71 7gsp h GLU 28 N 0.46 -0.15 0.00 5.26 4.39 -0.29 -2.22 114.58 122.03 7gsp h GLU 28 Ca 0.15 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.86 7gsp h GLU 28 Cb 0.01 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 7gsp h GLU 28 CO -0.07 -0.10 0.00 -0.25 -1.16 0.00 0.00 179.01 177.43 7gsp n ASP 29 N -5.29 0.00 -0.94 1.42 8.00 -0.43 -4.91 116.55 114.40 7gsp n ASP 29 Ca -0.02 0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.56 7gsp n ASP 29 Cb 0.21 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 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 0.53 0.06 3.50 0.44 0.00 -0.19 -5.03 105.19 104.49 7gsp n GLY 30 Ca 0.08 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.35 1.79 0.08 1.61 2.02 -0.44 -5.04 118.70 114.37 7gsp s GLU 31 Ca 0.00 -1.45 0.01 0.00 0.02 0.00 0.00 54.97 53.55 7gsp s GLU 31 Cb 0.00 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 7gsp s GLU 31 CO 0.00 0.40 -0.05 0.95 0.02 0.00 0.00 175.26 176.58 7gsp s THR 32 N -1.81 0.50 0.06 3.63 -4.23 -1.26 -4.32 115.64 108.21 7gsp s THR 32 Ca 0.24 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 7gsp s THR 32 Cb -0.08 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 7gsp s THR 32 CO 0.13 -0.93 -0.05 0.68 -0.54 0.00 0.00 174.62 173.91 7gsp s VAL 33 N -3.75 0.44 0.00 2.29 -7.23 0.58 -4.87 120.40 107.87 7gsp s VAL 33 Ca 0.10 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 7gsp s VAL 33 Cb 0.06 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.86 7gsp s VAL 33 CO -0.07 -0.72 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 7gsp n GLY 34 N 0.64 -0.49 0.26 2.32 0.00 -1.25 -0.77 105.19 105.88 7gsp n GLY 34 Ca -0.17 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.32 7gsp n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 7gsp h SER 35 N 0.00 0.00 -0.25 1.61 0.02 -1.89 -1.87 113.55 111.17 7gsp h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 7gsp h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 7gsp h SER 35 CO 0.00 0.13 0.00 0.59 -1.14 0.00 0.00 176.83 176.41 7gsp n ASN 36 N -3.66 2.09 -3.35 3.07 3.02 -1.26 -4.99 115.26 110.17 7gsp n ASN 36 Ca -0.02 -1.82 -0.10 0.00 -0.03 0.00 0.00 54.58 52.61 7gsp n ASN 36 Cb 0.25 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.61 -6.61 -4.87 6.41 7.64 -0.70 -4.82 113.62 111.27 7gsp n SER 37 Ca 0.16 -0.42 -0.34 0.00 1.01 0.00 0.00 58.87 59.28 7gsp n SER 37 Cb 0.38 -3.83 -0.05 0.00 -1.01 0.00 0.00 64.21 59.70 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 -2.98 3.57 0.35 1.43 2.02 0.05 -3.43 117.35 118.37 7gsp s TYR 38 Ca 0.01 0.74 -0.25 0.00 -0.37 0.00 0.00 57.07 57.20 7gsp s TYR 38 Cb -0.00 -2.12 -0.10 0.00 -0.40 0.00 0.00 41.96 39.34 7gsp s TYR 38 CO 0.81 0.53 0.99 -1.25 -1.57 0.00 0.00 175.55 175.06 7gsp s PRO 39 N -1.94 4.42 0.17 -1.71 0.04 -1.26 -0.31 135.00 134.41 7gsp s PRO 39 Ca 0.33 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.83 7gsp s PRO 39 Cb -0.14 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 7gsp s PRO 39 CO 0.18 0.11 -0.10 -3.38 0.04 0.00 0.00 177.00 173.85 7gsp s HIS 40 N -1.64 1.39 0.31 0.56 -3.43 -1.13 -4.94 115.29 106.42 7gsp s HIS 40 Ca 0.53 -0.74 -0.28 0.00 -0.80 0.00 0.00 55.06 53.77 7gsp s HIS 40 Cb -0.20 -0.71 -0.13 0.00 -1.43 0.00 0.00 32.58 30.11 7gsp s HIS 40 CO 0.26 0.13 1.21 1.17 -2.00 0.00 0.00 174.74 175.50 7gsp n LYS 41 N -0.26 1.84 -4.07 -0.38 4.81 -1.26 -0.69 118.16 118.15 7gsp n LYS 41 Ca -0.09 0.65 -0.32 0.00 -0.87 0.00 0.00 58.31 57.67 7gsp n LYS 41 Cb 0.61 -2.16 -0.15 0.00 0.02 0.00 0.00 35.03 33.34 7gsp n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 7gsp s TYR 42 N -0.96 2.96 -1.19 5.64 5.04 -0.29 -4.68 117.35 123.87 7gsp s TYR 42 Ca 0.58 -1.98 0.29 0.00 -2.44 0.00 0.00 57.07 53.53 7gsp s TYR 42 Cb -0.63 -1.88 1.28 0.00 0.35 0.00 0.00 41.96 41.08 7gsp s TYR 42 CO 0.60 -0.83 1.93 0.09 -1.34 0.00 0.00 175.55 175.99 7gsp n ASN 43 N 4.54 0.08 -3.15 4.32 3.02 -1.26 -4.06 115.26 118.74 7gsp n ASN 43 Ca -0.16 0.15 -0.17 0.00 -0.03 0.00 0.00 54.58 54.36 7gsp n ASN 43 Cb 0.45 -0.34 0.08 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.39 -3.54 0.26 6.41 5.15 -1.26 -4.89 115.26 116.00 7gsp n ASN 44 Ca 0.10 -0.51 0.09 0.00 -0.60 0.00 0.00 54.58 53.65 7gsp n ASN 44 Cb 0.30 -4.51 0.67 0.00 -0.53 0.00 0.00 39.78 35.71 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 -1.94 0.00 0.00 1.20 0.05 -2.00 -1.18 116.97 113.09 7gsp h TYR 45 Ca -0.51 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.23 7gsp h TYR 45 Cb 1.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.04 7gsp h TYR 45 CO 0.40 0.00 -0.18 0.93 -1.05 0.00 0.00 178.16 178.26 7gsp h GLU 46 N 0.00 0.00 -2.43 4.88 3.07 -1.95 -3.47 114.58 114.68 7gsp h GLU 46 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.75 7gsp h GLU 46 Cb 0.02 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 27.97 7gsp h GLU 46 CO -0.00 0.18 -0.20 0.41 -1.40 0.00 0.00 179.01 178.00 7gsp n GLY 47 N -0.39 0.51 3.77 -3.84 0.00 -0.45 -5.01 105.19 99.78 7gsp n GLY 47 Ca -0.01 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.09 3.07 -1.32 1.61 0.08 -1.26 -4.92 117.98 112.14 7gsp s PHE 48 Ca 0.17 1.58 -0.11 0.00 0.12 0.00 0.00 56.93 58.69 7gsp s PHE 48 Cb -0.08 -3.31 0.13 0.00 -0.57 0.00 0.00 43.02 39.20 7gsp s PHE 48 CO 0.21 -1.16 1.94 -0.25 -0.10 0.00 0.00 175.22 175.87 7gsp n ASP 49 N -0.13 4.77 -4.76 1.36 10.43 -1.26 -4.98 116.55 121.98 7gsp n ASP 49 Ca 0.05 -3.03 -0.41 0.00 2.57 0.00 0.00 54.79 53.98 7gsp n ASP 49 Cb 0.48 -1.54 -0.02 0.00 1.84 0.00 0.00 41.12 41.88 7gsp n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 7gsp s PHE 50 N 1.26 3.04 -0.98 1.24 0.08 -1.26 -4.93 117.98 116.42 7gsp s PHE 50 Ca 0.42 1.31 0.27 0.00 0.12 0.00 0.00 56.93 59.04 7gsp s PHE 50 Cb 0.10 -3.72 0.83 0.00 -0.57 0.00 0.00 43.02 39.66 7gsp s PHE 50 CO -0.02 -2.08 1.65 -1.13 -0.10 0.00 0.00 175.22 173.54 7gsp n SER 51 N 1.25 0.29 -4.79 1.36 3.41 -1.26 -4.84 113.62 109.03 7gsp n SER 51 Ca 0.02 0.11 -0.22 0.00 -0.26 0.00 0.00 58.87 58.52 7gsp n SER 51 Cb 0.41 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 7gsp n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 7gsp s VAL 52 N -3.01 4.12 0.45 -3.33 -7.23 -1.26 -5.11 120.40 105.04 7gsp s VAL 52 Ca 0.12 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.69 7gsp s VAL 52 Cb 0.18 -3.27 -0.06 0.00 0.56 0.00 0.00 36.38 33.80 7gsp s VAL 52 CO 0.62 -0.33 0.81 -0.94 -0.31 0.00 0.00 175.10 174.96 7gsp s SER 53 N -3.83 6.43 0.91 4.85 1.04 -1.26 -5.04 113.70 116.80 7gsp s SER 53 Ca 0.34 1.14 -0.10 0.00 0.48 0.00 0.00 55.95 57.80 7gsp s SER 53 Cb -0.07 -2.33 0.18 0.00 0.10 0.00 0.00 66.02 63.90 7gsp s SER 53 CO 0.24 -0.51 1.13 -1.54 0.98 0.00 0.00 173.24 173.55 7gsp n SER 54 N -1.72 0.48 -4.74 7.02 3.41 -1.26 -4.72 113.62 112.09 7gsp n SER 54 Ca 0.03 -1.65 -0.37 0.00 -0.26 0.00 0.00 58.87 56.62 7gsp n SER 54 Cb 0.54 -0.83 0.06 0.00 -0.26 0.00 0.00 64.21 63.72 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 -5.44 2.66 0.21 4.33 0.04 -1.26 -4.89 135.00 130.65 7gsp s PRO 55 Ca 0.67 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.83 7gsp s PRO 55 Cb -0.02 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 7gsp s PRO 55 CO 0.46 -1.51 -0.01 0.71 0.04 0.00 0.00 177.00 176.69 7gsp s TYR 56 N -1.42 2.75 -0.01 0.56 2.02 -1.26 -3.38 117.35 116.61 7gsp s TYR 56 Ca 0.81 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 57.30 7gsp s TYR 56 Cb -0.37 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 7gsp s TYR 56 CO 0.39 0.56 0.06 0.71 -1.57 0.00 0.00 175.55 175.70 7gsp s TYR 57 N -1.97 0.00 0.00 2.71 1.51 -0.38 -1.13 117.35 118.10 7gsp s TYR 57 Ca 0.29 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.36 7gsp s TYR 57 Cb -0.08 -0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 7gsp s TYR 57 CO 0.19 -0.10 0.03 -1.83 -1.11 0.00 0.00 175.55 172.72 7gsp s GLU 58 N -0.44 2.86 -0.04 -0.62 -1.05 0.14 -1.85 118.70 117.69 7gsp s GLU 58 Ca -0.05 -0.59 -0.02 0.00 -0.15 0.00 0.00 54.97 54.16 7gsp s GLU 58 Cb -0.03 -2.72 0.03 0.00 -0.44 0.00 0.00 34.13 30.97 7gsp s GLU 58 CO 0.00 0.63 0.09 -0.46 0.95 0.00 0.00 175.26 176.47 7gsp s TRP 59 N -1.14 -0.08 0.35 4.83 -0.11 -0.31 -2.85 118.94 119.63 7gsp s TRP 59 Ca 0.21 0.30 -0.28 0.00 1.22 0.00 0.00 56.10 57.54 7gsp s TRP 59 Cb -0.12 -0.11 -0.10 0.00 -1.50 0.00 0.00 33.47 31.64 7gsp s TRP 59 CO 0.12 -0.11 1.35 -2.14 -4.62 0.00 0.00 176.95 171.55 7gsp s PRO 60 N 0.89 4.27 -0.13 5.86 0.02 -1.26 -0.19 135.00 144.45 7gsp s PRO 60 Ca -0.07 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.28 7gsp s PRO 60 Cb -0.10 -3.02 -0.00 0.00 0.02 0.00 0.00 34.50 31.40 7gsp s PRO 60 CO -0.04 -0.30 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.65 7gsp s ILE 61 N -1.14 2.42 -0.17 2.83 2.07 -0.88 -4.54 121.20 121.79 7gsp s ILE 61 Ca 0.50 -0.87 -0.09 0.00 -1.41 0.00 0.00 60.65 58.79 7gsp s ILE 61 Cb -0.41 -1.98 -0.05 0.00 0.13 0.00 0.00 42.46 40.15 7gsp s ILE 61 CO 0.55 0.54 0.13 -0.76 -1.91 0.00 0.00 174.94 173.49 7gsp s LEU 62 N 0.59 4.24 0.55 8.50 1.43 -1.26 -4.45 118.68 128.28 7gsp s LEU 62 Ca -0.11 0.31 0.27 0.00 -1.03 0.00 0.00 54.13 53.57 7gsp s LEU 62 Cb -0.16 -2.07 1.60 0.00 0.03 0.00 0.00 46.19 45.58 7gsp s LEU 62 CO 0.03 0.27 2.17 0.77 0.23 0.00 0.00 176.35 179.82 7gsp h SER 63 N 6.02 0.00 0.18 2.29 4.64 -1.97 -0.93 113.55 123.78 7gsp h SER 63 Ca -0.46 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 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 0.06 -0.22 0.77 -0.87 0.00 0.00 176.83 177.25 7gsp h SER 64 N 0.00 0.08 0.00 4.97 4.64 -2.00 -3.46 113.55 117.79 7gsp h SER 64 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 7gsp h SER 64 Cb 0.14 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 7gsp h SER 64 CO 0.01 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 7gsp n GLY 65 N -0.81 0.54 3.85 -0.77 0.00 -0.35 -5.08 105.19 102.57 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 -2.50 6.58 0.02 1.61 1.01 -1.26 -5.01 116.67 117.10 7gsp s ASP 66 Ca 0.00 1.50 -0.20 0.00 0.71 0.00 0.00 52.55 54.56 7gsp s ASP 66 Cb 0.00 -2.48 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 7gsp s ASP 66 CO 0.00 -0.59 0.60 -0.69 0.21 0.00 0.00 175.17 174.70 7gsp s VAL 67 N -2.65 4.86 0.32 -1.27 1.01 -1.26 -4.19 120.40 117.22 7gsp s VAL 67 Ca 0.58 1.26 -0.29 0.00 0.00 0.00 0.00 61.98 63.53 7gsp s VAL 67 Cb -0.10 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 7gsp s VAL 67 CO 0.33 0.45 1.38 0.00 0.00 0.00 0.00 175.10 177.26 7gsp n TYR 68 N 2.50 2.45 -2.15 5.22 9.36 -1.26 -4.94 117.16 128.34 7gsp n TYR 68 Ca -0.07 0.48 0.02 0.00 3.32 0.00 0.00 57.90 61.64 7gsp n TYR 68 Cb 0.51 -2.47 0.02 0.00 -0.63 0.00 0.00 39.34 36.77 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 1.14 0.47 0.00 2.98 3.41 -1.26 -5.02 113.62 115.35 7gsp n SER 69 Ca 0.06 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 7gsp n SER 69 Cb 0.36 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.12 0.85 0.00 5.00 0.00 -1.26 -4.74 105.19 105.16 7gsp n GLY 70 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.83 1.24 3.68 -0.02 0.00 -1.26 -3.94 105.19 104.06 7gsp n GLY 71 Ca 0.00 -1.75 -0.49 0.00 0.00 0.00 0.00 46.02 43.79 7gsp n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 7gsp n SER 72 N 0.00 3.28 0.22 1.61 7.64 -1.26 -4.85 113.62 120.27 7gsp n SER 72 Ca 0.00 1.00 0.11 0.00 1.01 0.00 0.00 58.87 60.99 7gsp n SER 72 Cb 0.00 -1.36 0.37 0.00 -1.01 0.00 0.00 64.21 62.20 7gsp n SER 72 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 7gsp h PRO 73 N 8.36 0.00 0.00 1.43 0.13 -1.99 -3.50 132.00 136.43 7gsp h PRO 73 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 7gsp h PRO 73 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 7gsp h PRO 73 CO 0.93 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 179.27 7gsp n GLY 74 N 0.56 -1.34 0.03 1.56 0.00 -1.26 -4.53 105.19 100.20 7gsp n GLY 74 Ca 0.02 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 1.14 3.08 -2.73 4.61 0.00 -1.26 -4.97 120.51 120.39 7gsp n ALA 75 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 7gsp n ALA 75 Cb 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 -4.38 6.51 -0.02 0.00 1.01 -1.26 -0.72 116.67 117.81 7gsp s ASP 76 Ca -0.04 0.58 -0.06 0.00 0.71 0.00 0.00 52.55 53.74 7gsp s ASP 76 Cb 0.14 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.98 7gsp s ASP 76 CO 0.88 0.19 0.13 -0.13 0.21 0.00 0.00 175.17 176.45 7gsp s ARG 77 N -2.02 0.38 -0.10 8.23 1.81 -0.31 -2.08 118.95 124.86 7gsp s ARG 77 Ca 0.32 -0.21 -0.03 0.00 -1.72 0.00 0.00 55.73 54.08 7gsp s ARG 77 Cb -0.13 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 7gsp s ARG 77 CO 0.19 -0.08 0.03 0.14 -0.68 0.00 0.00 175.30 174.90 7gsp s VAL 78 N -0.92 4.59 -0.20 3.52 -7.23 0.73 -1.64 120.40 119.25 7gsp s VAL 78 Ca -0.10 -0.14 -0.02 0.00 -1.81 0.00 0.00 61.98 59.91 7gsp s VAL 78 Cb -0.06 -2.96 -0.00 0.00 0.56 0.00 0.00 36.38 33.92 7gsp s VAL 78 CO 0.01 0.59 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.61 7gsp s VAL 79 N -0.78 3.00 0.32 1.32 1.01 0.30 -1.16 120.40 124.41 7gsp s VAL 79 Ca 0.12 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.52 7gsp s VAL 79 Cb -0.12 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 7gsp s VAL 79 CO 0.02 0.46 0.04 0.72 0.00 0.00 0.00 175.10 176.35 7gsp s PHE 80 N 1.34 2.00 0.40 5.22 -0.71 -0.77 -0.14 117.98 125.32 7gsp s PHE 80 Ca 0.04 -0.90 0.02 0.00 -1.04 0.00 0.00 56.93 55.05 7gsp s PHE 80 Cb -0.14 -1.30 0.02 0.00 -1.21 0.00 0.00 43.02 40.39 7gsp s PHE 80 CO -0.05 0.07 0.18 0.27 -1.34 0.00 0.00 175.22 174.36 7gsp n ASN 81 N -0.69 2.61 0.20 1.98 0.23 -0.43 -1.24 115.26 117.91 7gsp n ASN 81 Ca -0.03 -2.52 0.14 0.00 -0.53 0.00 0.00 54.58 51.65 7gsp n ASN 81 Cb 0.66 0.09 0.75 0.00 -2.08 0.00 0.00 39.78 39.20 7gsp n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 7gsp h GLU 82 N 0.00 0.00 -0.44 -3.83 4.57 -1.84 -0.48 114.58 112.55 7gsp h GLU 82 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 7gsp h GLU 82 Cb 0.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 7gsp h GLU 82 CO 0.45 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.37 7gsp n ASN 83 N -4.18 2.29 -3.62 1.04 5.03 -1.26 -4.89 115.26 109.67 7gsp n ASN 83 Ca 0.01 -2.06 -0.25 0.00 0.87 0.00 0.00 54.58 53.15 7gsp n ASN 83 Cb 0.27 -0.30 0.06 0.00 -1.02 0.00 0.00 39.78 38.78 7gsp n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 7gsp n ASN 84 N 0.63 -6.00 -4.89 6.41 4.05 -0.19 -5.00 115.26 110.28 7gsp n ASN 84 Ca 0.14 -0.57 -0.36 0.00 0.45 0.00 0.00 54.58 54.23 7gsp n ASN 84 Cb 0.38 -4.74 -0.06 0.00 1.23 0.00 0.00 39.78 36.60 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 -6.34 3.45 -0.14 1.20 -0.21 -1.26 -4.86 119.66 111.50 7gsp s GLN 85 Ca 0.58 -0.17 -0.28 0.00 0.02 0.00 0.00 55.36 55.51 7gsp s GLN 85 Cb -0.27 -3.16 -0.01 0.00 1.00 0.00 0.00 33.01 30.57 7gsp s GLN 85 CO 0.72 0.75 0.94 -1.17 -2.12 0.00 0.00 175.29 174.41 7gsp s LEU 86 N -1.28 4.21 -0.10 2.90 2.96 -1.26 -1.31 118.68 124.79 7gsp s LEU 86 Ca 0.19 1.38 -0.08 0.00 -0.22 0.00 0.00 54.13 55.39 7gsp s LEU 86 Cb -0.12 -3.42 -0.27 0.00 0.50 0.00 0.00 46.19 42.87 7gsp s LEU 86 CO 0.08 -0.44 0.44 0.00 -1.32 0.00 0.00 176.35 175.10 7gsp h ALA 87 N 7.21 0.37 0.00 5.97 0.00 -0.86 -3.46 119.26 128.49 7gsp h ALA 87 Ca -0.29 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 53.28 7gsp h ALA 87 Cb 1.13 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.58 7gsp h ALA 87 CO 0.86 1.25 0.00 0.41 0.00 0.00 0.00 179.25 181.77 7gsp n GLY 88 N 1.97 0.26 3.12 0.00 0.00 -1.09 -4.65 105.19 104.79 7gsp n GLY 88 Ca -0.30 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 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 1.96 0.28 1.61 1.01 -1.26 -0.54 120.40 121.46 7gsp s VAL 89 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.15 7gsp s VAL 89 Cb 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 7gsp s VAL 89 CO 0.00 0.53 -0.04 0.27 0.00 0.00 0.00 175.10 175.85 7gsp s ILE 90 N 1.15 1.59 0.04 2.22 -4.36 -0.65 -1.04 121.20 120.15 7gsp s ILE 90 Ca 0.01 -2.11 -0.08 0.00 -0.26 0.00 0.00 60.65 58.21 7gsp s ILE 90 Cb -0.14 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.08 7gsp s ILE 90 CO -0.09 -0.27 0.16 0.28 0.24 0.00 0.00 174.94 175.26 7gsp s THR 91 N -3.05 0.12 -0.66 8.37 -1.32 0.50 -1.17 115.64 118.43 7gsp s THR 91 Ca 0.30 -0.99 0.25 0.00 -1.21 0.00 0.00 61.69 60.03 7gsp s THR 91 Cb 0.04 -0.94 0.11 0.00 -1.51 0.00 0.00 72.50 70.21 7gsp s THR 91 CO 0.12 -0.55 1.44 1.41 -2.21 0.00 0.00 174.62 174.84 7gsp n HIS 92 N 0.66 0.67 -1.98 9.09 8.25 0.10 -0.72 115.22 131.28 7gsp n HIS 92 Ca -0.19 0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 7gsp n HIS 92 Cb 0.59 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 7gsp n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 7gsp s THR 93 N -3.15 3.54 0.00 1.59 2.01 -1.26 -2.13 115.64 116.23 7gsp s THR 93 Ca 0.07 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.72 7gsp s THR 93 Cb 0.13 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.21 7gsp s THR 93 CO 0.69 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 7gsp n GLY 94 N 4.22 0.75 3.64 4.40 0.00 -1.26 -4.73 105.19 112.22 7gsp n GLY 94 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.64 3.15 0.25 4.61 0.00 -0.91 -4.97 121.76 121.25 7gsp s ALA 95 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 7gsp s ALA 95 Cb 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 7gsp s ALA 95 CO 0.00 0.51 0.47 -1.54 0.00 0.00 0.00 175.76 175.19 7gsp s SER 96 N -2.83 6.39 0.82 0.00 1.04 -1.26 -4.83 113.70 113.03 7gsp s SER 96 Ca 0.26 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.20 7gsp s SER 96 Cb -0.09 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.97 7gsp s SER 96 CO 0.18 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.88 7gsp n GLY 97 N -0.92 2.31 2.16 7.32 0.00 -1.26 -1.61 105.19 113.20 7gsp n GLY 97 Ca -0.04 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.36 4.75 -4.92 1.61 5.15 -1.26 -4.96 115.26 115.27 7gsp n ASN 98 Ca 0.00 -3.53 -0.27 0.00 -0.60 0.00 0.00 54.58 50.18 7gsp n ASN 98 Cb 0.00 -0.86 0.07 0.00 -0.53 0.00 0.00 39.78 38.46 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 -1.22 4.78 0.19 1.20 0.02 -0.63 -5.08 114.94 114.20 7gsp s ASN 99 Ca 0.54 0.57 0.07 0.00 -1.02 0.00 0.00 52.86 53.03 7gsp s ASN 99 Cb 0.45 -1.20 -0.05 0.00 0.02 0.00 0.00 41.25 40.47 7gsp s ASN 99 CO 0.07 -1.65 -0.14 -0.36 0.02 0.00 0.00 177.10 175.04 7gsp s PHE 100 N -3.33 1.63 0.09 2.20 0.08 -1.26 -4.45 117.98 112.94 7gsp s PHE 100 Ca 0.60 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 57.09 7gsp s PHE 100 Cb -0.11 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 7gsp s PHE 100 CO 0.46 0.30 -0.09 0.14 -0.10 0.00 0.00 175.22 175.93 7gsp s VAL 101 N -2.90 0.83 0.40 -0.44 -7.23 0.10 -4.93 120.40 106.24 7gsp s VAL 101 Ca 0.20 -1.64 -0.23 0.00 -1.81 0.00 0.00 61.98 58.51 7gsp s VAL 101 Cb -0.01 -1.34 -0.10 0.00 0.56 0.00 0.00 36.38 35.49 7gsp s VAL 101 CO 0.06 -0.61 0.97 -1.61 -0.31 0.00 0.00 175.10 173.59 7gsp s GLU 102 N -2.89 4.28 0.27 4.82 2.02 -1.26 -0.37 118.70 125.57 7gsp s GLU 102 Ca 0.05 1.24 -0.24 0.00 0.02 0.00 0.00 54.97 56.04 7gsp s GLU 102 Cb -0.02 -2.38 -0.09 0.00 0.10 0.00 0.00 34.13 31.74 7gsp s GLU 102 CO -0.01 0.00 0.85 0.00 0.02 0.00 0.00 175.26 176.13