#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5gsp h ASP 3 N 4.80 0.15 -3.50 0.00 3.32 -1.44 -3.44 116.42 116.31 5gsp h ASP 3 Ca -0.46 -0.15 -0.32 0.00 0.02 0.00 0.00 57.03 56.12 5gsp h ASP 3 Cb 1.21 -0.05 -0.34 0.00 0.22 0.00 0.00 39.33 40.37 5gsp h ASP 3 CO 0.67 1.06 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.21 5gsp s TYR 4 N -2.86 0.15 -0.25 4.55 2.02 -0.49 -4.97 117.35 115.50 5gsp s TYR 4 Ca -0.01 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 5gsp s TYR 4 Cb 0.10 -0.32 0.05 0.00 -0.40 0.00 0.00 41.96 41.38 5gsp s TYR 4 CO 0.83 -0.11 -0.11 0.99 -1.57 0.00 0.00 175.55 175.59 5gsp s THR 5 N 1.10 2.33 -0.59 -0.71 2.01 0.14 -1.07 115.64 118.85 5gsp s THR 5 Ca -0.09 -1.42 -0.07 0.00 0.31 0.00 0.00 61.69 60.42 5gsp s THR 5 Cb -0.13 -2.29 0.15 0.00 0.01 0.00 0.00 72.50 70.25 5gsp s THR 5 CO -0.03 0.08 0.44 0.00 -0.69 0.00 0.00 174.62 174.43 5gsp n GLY 7 N 4.11 2.10 0.00 0.00 0.00 -1.26 -1.14 105.19 109.00 5gsp n GLY 7 Ca 0.03 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.26 5gsp n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 5gsp n SER 8 N 10.63 0.91 -4.72 1.61 7.64 -1.26 -4.94 113.62 123.49 5gsp n SER 8 Ca 0.00 -0.89 -0.42 0.00 1.01 0.00 0.00 58.87 58.57 5gsp n SER 8 Cb 0.00 1.01 -0.04 0.00 -1.01 0.00 0.00 64.21 64.17 5gsp n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 5gsp s ASN 9 N -3.10 7.41 -0.21 6.43 0.01 -0.29 -5.04 114.94 120.15 5gsp s ASN 9 Ca 0.07 1.75 -0.04 0.00 -0.71 0.00 0.00 52.86 53.94 5gsp s ASN 9 Cb 0.16 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 5gsp s ASN 9 CO 0.86 -0.18 -0.03 0.00 -1.51 0.00 0.00 177.10 176.24 5gsp s TYR 11 N 1.33 1.82 0.52 0.00 2.02 -0.23 -5.02 117.35 117.78 5gsp s TYR 11 Ca 0.04 -0.36 0.08 0.00 -0.37 0.00 0.00 57.07 56.46 5gsp s TYR 11 Cb -0.14 -1.14 0.05 0.00 -0.40 0.00 0.00 41.96 40.33 5gsp s TYR 11 CO -0.01 0.02 0.71 -1.54 -1.57 0.00 0.00 175.55 173.16 5gsp s SER 12 N -0.76 5.30 0.30 2.29 1.04 -1.26 -1.07 113.70 119.53 5gsp s SER 12 Ca 0.08 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.94 5gsp s SER 12 Cb -0.08 -0.21 0.47 0.00 0.10 0.00 0.00 66.02 66.29 5gsp s SER 12 CO 0.00 -1.12 1.82 0.28 0.98 0.00 0.00 173.24 175.21 5gsp h SER 13 N 0.32 0.63 -0.08 7.02 0.02 -1.98 -2.36 113.55 117.12 5gsp h SER 13 Ca -0.35 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 5gsp h SER 13 Cb 1.28 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 5gsp h SER 13 CO 0.43 0.69 -0.20 0.77 -1.14 0.00 0.00 176.83 177.38 5gsp h SER 14 N 0.63 0.48 -0.37 3.07 4.64 -1.99 -0.20 113.55 119.82 5gsp h SER 14 Ca 0.13 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 5gsp h SER 14 Cb 0.38 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 5gsp h SER 14 CO 0.01 0.69 0.18 0.44 -0.87 0.00 0.00 176.83 177.28 5gsp h ASP 15 N 0.44 0.49 -0.25 4.97 3.32 -1.82 -1.75 116.42 121.81 5gsp h ASP 15 Ca 0.07 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 5gsp h ASP 15 Cb 0.60 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 5gsp h ASP 15 CO 0.04 0.48 0.01 0.58 -1.72 0.00 0.00 179.24 178.62 5gsp h VAL 16 N 0.46 1.25 -0.92 -1.35 2.07 -1.12 -2.52 116.25 114.12 5gsp h VAL 16 Ca 0.13 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 5gsp h VAL 16 Cb 0.12 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 5gsp h VAL 16 CO -0.02 0.28 0.58 0.28 0.02 0.00 0.00 177.57 178.71 5gsp h SER 17 N 0.22 1.09 -0.26 0.57 0.02 -0.97 0.21 113.55 114.45 5gsp h SER 17 Ca 0.07 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 5gsp h SER 17 Cb 0.40 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 5gsp h SER 17 CO 0.01 0.82 0.06 0.74 -1.14 0.00 0.00 176.83 177.32 5gsp h THR 18 N 1.27 1.22 -0.34 -2.27 2.02 -1.28 -1.10 112.91 112.42 5gsp h THR 18 Ca 0.33 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 5gsp h THR 18 Cb -0.09 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 5gsp h THR 18 CO -0.07 0.23 0.09 0.00 0.37 0.00 0.00 175.52 176.14 5gsp h ALA 19 N 0.88 0.45 -0.60 6.16 0.00 -1.18 -2.93 119.26 122.05 5gsp h ALA 19 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.83 5gsp h ALA 19 Cb 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 5gsp h ALA 19 CO 0.00 0.12 0.38 0.37 0.00 0.00 0.00 179.25 180.12 5gsp h GLN 20 N 0.40 0.75 -0.92 0.00 4.15 -0.91 -2.02 115.11 116.56 5gsp h GLN 20 Ca 0.11 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.51 5gsp h GLN 20 Cb 0.29 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 5gsp h GLN 20 CO 0.00 0.49 0.61 0.00 -1.93 0.00 0.00 178.83 178.00 5gsp h ALA 21 N 1.24 1.20 -0.26 3.38 0.00 -1.10 -0.03 119.26 123.69 5gsp h ALA 21 Ca 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 5gsp h ALA 21 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 5gsp h ALA 21 CO -0.08 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 5gsp h ALA 22 N 1.36 0.36 -0.46 0.00 0.00 -1.28 -2.12 119.26 117.12 5gsp h ALA 22 Ca 0.36 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 5gsp h ALA 22 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 5gsp h ALA 22 CO -0.10 0.18 0.11 0.78 0.00 0.00 0.00 179.25 180.22 5gsp h GLY 23 N 0.25 0.80 1.32 0.00 0.00 -1.09 -2.56 103.07 101.79 5gsp h GLY 23 Ca 0.06 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 5gsp h GLY 23 CO 0.03 0.47 0.14 -1.82 0.00 0.00 0.00 176.54 175.35 5gsp h TYR 24 N 0.62 0.88 -0.20 5.60 3.20 -0.99 -1.35 116.97 124.73 5gsp h TYR 24 Ca 0.15 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 5gsp h TYR 24 Cb 0.33 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 5gsp h TYR 24 CO 0.02 0.73 0.12 -0.22 -1.64 0.00 0.00 178.16 177.18 5gsp h LYS 25 N 0.82 0.27 -0.88 1.82 1.63 -1.21 -0.32 116.57 118.70 5gsp h LYS 25 Ca 0.18 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 5gsp h LYS 25 Cb 0.30 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 5gsp h LYS 25 CO -0.00 0.21 0.54 -0.07 -3.45 0.00 0.00 179.45 176.68 5gsp h LEU 26 N 0.25 1.04 -0.29 5.20 3.38 -1.21 -1.53 115.31 122.14 5gsp h LEU 26 Ca 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 5gsp h LEU 26 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 5gsp h LEU 26 CO -0.01 0.79 0.19 -0.74 0.09 0.00 0.00 178.44 178.75 5gsp h HIS 27 N 1.20 0.36 -0.72 1.13 2.76 -0.76 -0.90 115.15 118.21 5gsp h HIS 27 Ca 0.32 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.49 5gsp h HIS 27 Cb -0.07 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 5gsp h HIS 27 CO -0.00 0.22 0.41 0.93 -1.30 0.00 0.00 177.93 178.19 5gsp h GLU 28 N 0.39 1.00 0.00 5.26 5.08 -0.65 -2.46 114.58 123.19 5gsp h GLU 28 Ca 0.11 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 5gsp h GLU 28 Cb -0.04 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.01 5gsp h GLU 28 CO -0.03 0.73 0.00 -0.25 -1.00 0.00 0.00 179.01 178.46 5gsp n ASP 29 N -4.50 0.00 -2.27 1.42 8.00 -0.62 -4.91 116.55 113.68 5gsp n ASP 29 Ca 0.06 -0.28 -0.15 0.00 0.71 0.00 0.00 54.79 55.13 5gsp n ASP 29 Cb 0.08 -0.23 0.04 0.00 -0.02 0.00 0.00 41.12 40.98 5gsp n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5gsp n GLY 30 N 1.11 -0.09 3.45 0.44 0.00 -0.64 -5.03 105.19 104.43 5gsp n GLY 30 Ca 0.15 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 5gsp n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5gsp s GLU 31 N -5.53 1.61 0.09 1.61 2.02 -0.44 -5.05 118.70 113.02 5gsp s GLU 31 Ca 0.28 -1.75 -0.00 0.00 0.02 0.00 0.00 54.97 53.52 5gsp s GLU 31 Cb -0.12 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 5gsp s GLU 31 CO 0.34 0.27 -0.01 0.95 0.02 0.00 0.00 175.26 176.84 5gsp s THR 32 N -2.63 0.30 0.05 3.63 -4.23 -1.26 -4.35 115.64 107.15 5gsp s THR 32 Ca 0.29 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 5gsp s THR 32 Cb -0.03 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 5gsp s THR 32 CO 0.13 -0.78 -0.09 0.68 -0.54 0.00 0.00 174.62 174.01 5gsp s VAL 33 N -3.88 0.68 0.00 2.29 -7.23 0.50 -4.89 120.40 107.87 5gsp s VAL 33 Ca 0.14 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 5gsp s VAL 33 Cb 0.07 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.30 5gsp s VAL 33 CO -0.05 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 5gsp n GLY 34 N 1.50 -0.83 0.24 2.32 0.00 -1.26 -1.24 105.19 105.93 5gsp n GLY 34 Ca -0.22 -1.64 0.16 0.00 0.00 0.00 0.00 46.02 44.32 5gsp n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 5gsp h SER 35 N 0.00 0.00 -0.66 1.61 0.02 -1.98 -2.67 113.55 109.87 5gsp h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 5gsp h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 5gsp h SER 35 CO 0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 5gsp n ASN 36 N -2.94 3.64 -3.23 3.07 5.03 -1.26 -5.01 115.26 114.55 5gsp n ASN 36 Ca 0.02 -2.00 -0.19 0.00 0.87 0.00 0.00 54.58 53.28 5gsp n ASN 36 Cb 0.34 -0.44 0.02 0.00 -1.02 0.00 0.00 39.78 38.67 5gsp n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 5gsp n SER 37 N 1.50 -6.71 -4.84 6.41 7.64 -1.01 -4.93 113.62 111.69 5gsp n SER 37 Ca 0.23 -0.01 -0.34 0.00 1.01 0.00 0.00 58.87 59.75 5gsp n SER 37 Cb 0.58 -3.67 -0.06 0.00 -1.01 0.00 0.00 64.21 60.05 5gsp n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 5gsp s TYR 38 N -2.38 3.44 0.56 1.43 2.02 -0.37 -3.81 117.35 118.24 5gsp s TYR 38 Ca 0.21 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.14 5gsp s TYR 38 Cb -0.04 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 5gsp s TYR 38 CO 0.82 0.62 0.96 -1.25 -1.57 0.00 0.00 175.55 175.13 5gsp s PRO 39 N -1.56 3.67 0.17 -1.71 0.04 -1.26 -0.37 135.00 133.98 5gsp s PRO 39 Ca 0.22 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 5gsp s PRO 39 Cb -0.12 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 5gsp s PRO 39 CO 0.12 -0.41 0.34 -3.38 0.04 0.00 0.00 177.00 173.71 5gsp s HIS 40 N -2.94 0.30 0.22 0.56 -3.43 -1.16 -4.92 115.29 103.92 5gsp s HIS 40 Ca 0.54 -0.66 -0.32 0.00 -0.80 0.00 0.00 55.06 53.83 5gsp s HIS 40 Cb -0.11 0.04 -0.14 0.00 -1.43 0.00 0.00 32.58 30.94 5gsp s HIS 40 CO 0.47 -0.77 1.34 1.63 -2.00 0.00 0.00 174.74 175.41 5gsp n LYS 41 N -0.25 1.80 -3.87 -0.38 4.76 -1.26 -1.03 118.16 117.94 5gsp n LYS 41 Ca -0.08 0.64 -0.36 0.00 -2.87 0.00 0.00 58.31 55.65 5gsp n LYS 41 Cb 0.63 -2.25 -0.13 0.00 -1.84 0.00 0.00 35.03 31.43 5gsp n LYS 41 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 5gsp s TYR 42 N -0.11 3.17 -0.59 2.13 5.04 0.24 -4.72 117.35 122.51 5gsp s TYR 42 Ca 0.69 -1.47 0.26 0.00 -2.44 0.00 0.00 57.07 54.10 5gsp s TYR 42 Cb -0.70 -2.15 0.85 0.00 0.35 0.00 0.00 41.96 40.31 5gsp s TYR 42 CO 0.50 -0.71 1.76 -0.91 -1.34 0.00 0.00 175.55 174.85 5gsp h ASN 43 N 8.09 0.00 -5.18 4.32 -0.26 -1.94 -3.37 115.58 117.25 5gsp h ASN 43 Ca -0.28 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.16 5gsp h ASN 43 Cb 1.10 0.00 0.14 0.00 -1.06 0.00 0.00 38.32 38.50 5gsp h ASN 43 CO 0.57 0.00 -0.65 -3.20 -1.06 0.00 0.00 177.43 173.09 5gsp n ASN 44 N -2.36 -2.77 0.23 5.81 5.15 -1.26 -4.90 115.26 115.15 5gsp n ASN 44 Ca 0.04 -0.52 0.07 0.00 -0.60 0.00 0.00 54.58 53.57 5gsp n ASN 44 Cb 0.37 -4.51 0.53 0.00 -0.53 0.00 0.00 39.78 35.65 5gsp n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 5gsp h TYR 45 N -1.79 0.00 0.00 1.20 0.05 -2.01 -1.94 116.97 112.48 5gsp h TYR 45 Ca -0.51 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.23 5gsp h TYR 45 Cb 1.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.03 5gsp h TYR 45 CO 0.39 0.21 -0.19 0.93 -1.05 0.00 0.00 178.16 178.45 5gsp h GLU 46 N 0.00 0.00 -1.39 4.88 3.07 -1.94 -3.47 114.58 115.72 5gsp h GLU 46 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 5gsp h GLU 46 Cb 0.41 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.33 5gsp h GLU 46 CO 0.03 0.19 -0.08 0.41 -1.40 0.00 0.00 179.01 178.15 5gsp n GLY 47 N -0.76 0.67 3.77 -3.84 0.00 -0.73 -5.02 105.19 99.27 5gsp n GLY 47 Ca -0.02 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 5gsp n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5gsp s PHE 48 N -2.87 2.72 -1.31 1.61 0.08 -1.26 -4.92 117.98 112.02 5gsp s PHE 48 Ca 0.06 1.49 -0.13 0.00 0.12 0.00 0.00 56.93 58.47 5gsp s PHE 48 Cb -0.03 -3.50 0.12 0.00 -0.57 0.00 0.00 43.02 39.04 5gsp s PHE 48 CO 0.08 -1.88 1.84 -0.25 -0.10 0.00 0.00 175.22 174.90 5gsp n ASP 49 N -0.61 4.79 -4.77 1.36 9.92 -1.26 -4.99 116.55 120.99 5gsp n ASP 49 Ca 0.08 -2.97 -0.39 0.00 -0.53 0.00 0.00 54.79 50.98 5gsp n ASP 49 Cb 0.47 -1.60 -0.04 0.00 -0.64 0.00 0.00 41.12 39.31 5gsp n ASP 49 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 5gsp s PHE 50 N 2.13 3.49 -0.71 1.24 0.08 -1.26 -4.96 117.98 117.99 5gsp s PHE 50 Ca 0.45 1.70 0.26 0.00 0.12 0.00 0.00 56.93 59.45 5gsp s PHE 50 Cb 0.07 -3.20 0.66 0.00 -0.57 0.00 0.00 43.02 39.99 5gsp s PHE 50 CO -0.00 -0.50 1.63 0.43 -0.10 0.00 0.00 175.22 176.68 5gsp n SER 51 N 0.71 0.77 -4.72 1.36 7.64 -1.26 -4.88 113.62 113.23 5gsp n SER 51 Ca 0.01 0.42 -0.23 0.00 1.01 0.00 0.00 58.87 60.09 5gsp n SER 51 Cb 0.47 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.13 5gsp n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 5gsp s VAL 52 N -3.12 3.90 0.55 0.44 -7.23 -1.26 -5.12 120.40 108.56 5gsp s VAL 52 Ca 0.09 -1.65 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 5gsp s VAL 52 Cb 0.13 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 5gsp s VAL 52 CO 0.64 -0.34 1.04 -0.44 -0.31 0.00 0.00 175.10 175.69 5gsp s SER 53 N -3.67 6.03 0.83 4.85 0.01 -1.26 -5.05 113.70 115.44 5gsp s SER 53 Ca 0.32 1.83 -0.11 0.00 1.31 0.00 0.00 55.95 59.29 5gsp s SER 53 Cb -0.07 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.73 5gsp s SER 53 CO 0.22 -1.00 1.18 -0.94 0.41 0.00 0.00 173.24 173.11 5gsp s SER 54 N -2.57 4.15 0.66 2.44 1.04 -1.26 -4.69 113.70 113.47 5gsp s SER 54 Ca 0.64 0.50 -0.15 0.00 0.48 0.00 0.00 55.95 57.43 5gsp s SER 54 Cb -0.16 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.08 5gsp s SER 54 CO 0.31 -2.08 1.12 -2.16 0.98 0.00 0.00 173.24 171.41 5gsp s PRO 55 N -5.58 2.76 0.11 4.02 0.04 -1.26 -4.84 135.00 130.25 5gsp s PRO 55 Ca 0.65 1.42 0.07 0.00 0.04 0.00 0.00 61.00 63.19 5gsp s PRO 55 Cb -0.09 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 5gsp s PRO 55 CO 0.49 -1.29 -0.07 0.71 0.04 0.00 0.00 177.00 176.88 5gsp s TYR 56 N -2.30 2.78 -0.01 0.56 2.02 -1.26 -3.53 117.35 115.61 5gsp s TYR 56 Ca 0.68 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 57.27 5gsp s TYR 56 Cb -0.21 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 5gsp s TYR 56 CO 0.41 0.45 -0.10 0.71 -1.57 0.00 0.00 175.55 175.46 5gsp s TYR 57 N -1.31 0.87 -0.03 2.71 2.02 0.21 -0.59 117.35 121.22 5gsp s TYR 57 Ca 0.23 -0.16 -0.00 0.00 -0.37 0.00 0.00 57.07 56.76 5gsp s TYR 57 Cb -0.11 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 5gsp s TYR 57 CO 0.15 -0.02 0.02 -1.83 -1.57 0.00 0.00 175.55 172.30 5gsp s GLU 58 N -0.22 2.91 -0.06 -0.62 -1.05 -0.20 -1.47 118.70 117.99 5gsp s GLU 58 Ca 0.04 -0.51 -0.03 0.00 -0.15 0.00 0.00 54.97 54.31 5gsp s GLU 58 Cb -0.04 -2.75 0.03 0.00 -0.44 0.00 0.00 34.13 30.93 5gsp s GLU 58 CO -0.00 0.66 0.15 -0.46 0.95 0.00 0.00 175.26 176.55 5gsp s TRP 59 N -1.04 -0.17 0.38 4.83 -0.11 -0.60 -2.96 118.94 119.28 5gsp s TRP 59 Ca 0.18 0.46 -0.27 0.00 1.22 0.00 0.00 56.10 57.70 5gsp s TRP 59 Cb -0.12 -0.04 -0.09 0.00 -1.50 0.00 0.00 33.47 31.73 5gsp s TRP 59 CO 0.08 -0.14 1.29 -2.14 -4.62 0.00 0.00 176.95 171.42 5gsp s PRO 60 N 0.85 4.09 -0.11 5.86 0.02 -1.26 -0.26 135.00 144.19 5gsp s PRO 60 Ca -0.06 2.13 0.04 0.00 0.02 0.00 0.00 61.00 63.13 5gsp s PRO 60 Cb -0.08 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.60 5gsp s PRO 60 CO -0.04 -0.38 -0.23 -1.50 -0.33 0.00 0.00 177.00 174.51 5gsp s ILE 61 N -1.24 2.08 -0.12 2.83 2.07 -0.95 -4.55 121.20 121.32 5gsp s ILE 61 Ca 0.55 -1.01 -0.05 0.00 -1.41 0.00 0.00 60.65 58.73 5gsp s ILE 61 Cb -0.38 -1.80 -0.04 0.00 0.13 0.00 0.00 42.46 40.38 5gsp s ILE 61 CO 0.49 0.56 0.07 -0.76 -1.91 0.00 0.00 174.94 173.39 5gsp s LEU 62 N 0.40 3.96 0.60 8.50 1.43 -1.26 -4.45 118.68 127.86 5gsp s LEU 62 Ca -0.17 0.26 0.38 0.00 -1.03 0.00 0.00 54.13 53.57 5gsp s LEU 62 Cb -0.18 -1.95 1.86 0.00 0.03 0.00 0.00 46.19 45.95 5gsp s LEU 62 CO 0.08 0.35 2.17 0.77 0.23 0.00 0.00 176.35 179.95 5gsp h SER 63 N 5.40 0.00 0.83 2.29 4.64 -1.96 -2.03 113.55 122.73 5gsp h SER 63 Ca -0.50 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 5gsp h SER 63 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 5gsp h SER 63 CO 0.59 0.02 -0.17 0.77 -0.87 0.00 0.00 176.83 177.17 5gsp h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.47 113.55 117.70 5gsp h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5gsp h SER 64 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 5gsp h SER 64 CO 0.00 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 5gsp n GLY 65 N -0.02 0.60 3.90 -0.77 0.00 -0.76 -5.07 105.19 103.07 5gsp n GLY 65 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 5gsp n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 5gsp s ASP 66 N -2.80 6.28 0.05 1.61 1.01 -1.26 -5.02 116.67 116.53 5gsp s ASP 66 Ca 0.00 1.02 -0.22 0.00 0.71 0.00 0.00 52.55 54.06 5gsp s ASP 66 Cb 0.00 -2.29 -0.06 0.00 1.01 0.00 0.00 42.92 41.58 5gsp s ASP 66 CO 0.00 -0.61 0.65 -0.69 0.21 0.00 0.00 175.17 174.73 5gsp s VAL 67 N -2.78 4.76 0.15 -1.27 1.01 -1.26 -4.27 120.40 116.74 5gsp s VAL 67 Ca 0.49 1.39 -0.34 0.00 0.00 0.00 0.00 61.98 63.52 5gsp s VAL 67 Cb -0.10 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 5gsp s VAL 67 CO 0.45 0.45 1.60 0.00 0.00 0.00 0.00 175.10 177.60 5gsp n TYR 68 N 2.39 2.30 -0.80 5.22 9.36 -1.26 -4.88 117.16 129.49 5gsp n TYR 68 Ca -0.06 0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.40 5gsp n TYR 68 Cb 0.50 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 5gsp n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 5gsp n SER 69 N 3.65 0.58 0.00 2.98 3.41 -1.26 -5.07 113.62 117.91 5gsp n SER 69 Ca 0.17 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 5gsp n SER 69 Cb 0.29 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 5gsp n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5gsp n GLY 70 N -0.16 3.14 5.33 5.00 0.00 -1.26 -4.65 105.19 112.59 5gsp n GLY 70 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.14 5gsp n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5gsp n GLY 71 N -1.50 -1.67 3.70 -0.02 0.00 -1.26 -4.85 105.19 99.59 5gsp n GLY 71 Ca 0.00 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 5gsp n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 5gsp s SER 72 N -4.00 6.40 0.00 1.61 0.15 -1.26 -4.86 113.70 111.74 5gsp s SER 72 Ca 0.00 2.82 0.28 0.00 0.70 0.00 0.00 55.95 59.75 5gsp s SER 72 Cb 0.00 -2.58 1.17 0.00 -1.71 0.00 0.00 66.02 62.90 5gsp s SER 72 CO 0.00 -1.00 1.83 -0.81 1.20 0.00 0.00 173.24 174.46 5gsp n PRO 73 N 5.04 0.52 0.00 5.44 -0.04 -1.26 -5.05 135.00 139.65 5gsp n PRO 73 Ca 0.17 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 5gsp n PRO 73 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 5gsp n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 5gsp n GLY 74 N 1.33 -1.31 0.04 0.55 0.00 -1.26 -4.42 105.19 100.12 5gsp n GLY 74 Ca 0.13 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.98 5gsp n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5gsp n ALA 75 N 1.28 4.29 -2.85 4.61 0.00 -1.26 -5.00 120.51 121.58 5gsp n ALA 75 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 5gsp n ALA 75 Cb 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 5gsp n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 5gsp s ASP 76 N -2.67 6.07 0.00 0.00 1.01 -1.26 -1.24 116.67 118.58 5gsp s ASP 76 Ca 0.08 0.25 -0.04 0.00 0.71 0.00 0.00 52.55 53.55 5gsp s ASP 76 Cb 0.14 -1.84 -0.00 0.00 1.01 0.00 0.00 42.92 42.23 5gsp s ASP 76 CO 0.73 0.26 0.07 -0.13 0.21 0.00 0.00 175.17 176.30 5gsp s ARG 77 N -1.91 0.36 -0.11 8.23 1.81 -0.22 -2.24 118.95 124.87 5gsp s ARG 77 Ca 0.26 -0.38 -0.04 0.00 -1.72 0.00 0.00 55.73 53.85 5gsp s ARG 77 Cb -0.12 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 5gsp s ARG 77 CO 0.18 -0.07 0.02 0.14 -0.68 0.00 0.00 175.30 174.89 5gsp s VAL 78 N -1.17 4.50 -0.20 3.52 -7.23 0.64 -1.39 120.40 119.06 5gsp s VAL 78 Ca -0.13 -0.17 -0.03 0.00 -1.81 0.00 0.00 61.98 59.85 5gsp s VAL 78 Cb -0.07 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 33.93 5gsp s VAL 78 CO 0.00 0.57 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.59 5gsp s VAL 79 N -0.56 3.09 0.33 1.32 1.01 0.05 -1.55 120.40 124.09 5gsp s VAL 79 Ca 0.10 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.55 5gsp s VAL 79 Cb -0.12 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 5gsp s VAL 79 CO 0.02 0.46 -0.01 0.72 0.00 0.00 0.00 175.10 176.28 5gsp s PHE 80 N 1.32 2.14 0.00 5.22 -0.12 -0.54 -0.25 117.98 125.75 5gsp s PHE 80 Ca 0.04 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.18 5gsp s PHE 80 Cb -0.14 -1.35 0.00 0.00 -0.63 0.00 0.00 43.02 40.90 5gsp s PHE 80 CO -0.04 0.28 0.00 0.27 -0.05 0.00 0.00 175.22 175.67 5gsp n ASN 81 N -0.73 1.20 0.20 1.98 0.23 -0.64 -0.62 115.26 116.90 5gsp n ASN 81 Ca -0.04 -0.99 0.09 0.00 -0.53 0.00 0.00 54.58 53.11 5gsp n ASN 81 Cb 0.65 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.97 5gsp n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 5gsp h GLU 82 N 0.00 0.06 -0.63 -3.83 4.57 -1.83 -1.92 114.58 110.99 5gsp h GLU 82 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 5gsp h GLU 82 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 5gsp h GLU 82 CO 0.00 0.04 0.00 0.09 -1.18 0.00 0.00 179.01 177.96 5gsp n ASN 83 N -4.52 3.81 -3.29 1.04 5.03 -1.26 -4.91 115.26 111.17 5gsp n ASN 83 Ca -0.01 -2.39 -0.23 0.00 0.87 0.00 0.00 54.58 52.82 5gsp n ASN 83 Cb 0.14 -0.52 0.06 0.00 -1.02 0.00 0.00 39.78 38.44 5gsp n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 5gsp n ASN 84 N 0.73 -6.20 -4.78 6.41 5.15 -0.72 -4.99 115.26 110.86 5gsp n ASN 84 Ca 0.19 -0.43 -0.36 0.00 -0.60 0.00 0.00 54.58 53.39 5gsp n ASN 84 Cb 0.74 -4.90 -0.07 0.00 -0.53 0.00 0.00 39.78 35.02 5gsp n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 5gsp s GLN 85 N -6.05 3.72 -0.12 1.20 -0.21 -1.26 -4.88 119.66 112.07 5gsp s GLN 85 Ca 0.47 -0.21 -0.29 0.00 0.02 0.00 0.00 55.36 55.34 5gsp s GLN 85 Cb -0.21 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 5gsp s GLN 85 CO 0.58 0.55 1.35 -1.17 -2.12 0.00 0.00 175.29 174.48 5gsp s LEU 86 N -0.39 4.23 -0.07 2.90 2.96 -1.26 -1.62 118.68 125.43 5gsp s LEU 86 Ca 0.11 1.86 -0.02 0.00 -0.22 0.00 0.00 54.13 55.86 5gsp s LEU 86 Cb -0.12 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.77 5gsp s LEU 86 CO 0.01 -0.78 0.55 0.00 -1.32 0.00 0.00 176.35 174.82 5gsp h ALA 87 N 8.38 0.45 0.00 5.97 0.00 -0.95 -3.46 119.26 129.65 5gsp h ALA 87 Ca -0.31 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.27 5gsp h ALA 87 Cb 1.13 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.48 5gsp h ALA 87 CO 0.95 1.32 0.00 0.41 0.00 0.00 0.00 179.25 181.93 5gsp n GLY 88 N 1.82 -0.86 3.09 0.00 0.00 -1.09 -4.66 105.19 103.49 5gsp n GLY 88 Ca -0.25 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 5gsp n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5gsp s VAL 89 N -2.00 1.75 0.30 1.61 1.01 -1.26 -0.77 120.40 121.04 5gsp s VAL 89 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.27 5gsp s VAL 89 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 5gsp s VAL 89 CO 0.00 0.49 -0.05 0.27 0.00 0.00 0.00 175.10 175.81 5gsp s ILE 90 N 1.07 1.74 0.02 2.22 -4.36 -0.49 -1.17 121.20 120.23 5gsp s ILE 90 Ca -0.03 -2.12 -0.15 0.00 -0.26 0.00 0.00 60.65 58.09 5gsp s ILE 90 Cb -0.14 -2.54 0.02 0.00 1.25 0.00 0.00 42.46 41.04 5gsp s ILE 90 CO -0.05 -0.24 0.32 0.28 0.24 0.00 0.00 174.94 175.49 5gsp s THR 91 N -2.94 0.07 -0.44 8.37 -1.32 0.27 -1.05 115.64 118.59 5gsp s THR 91 Ca 0.31 -0.58 0.23 0.00 -1.21 0.00 0.00 61.69 60.44 5gsp s THR 91 Cb 0.04 -0.81 0.25 0.00 -1.51 0.00 0.00 72.50 70.47 5gsp s THR 91 CO 0.13 -0.32 1.51 0.45 -2.21 0.00 0.00 174.62 174.18 5gsp h HIS 92 N 3.46 0.00 -2.54 9.09 3.86 -1.38 -0.59 115.15 127.05 5gsp h HIS 92 Ca -0.31 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.37 5gsp h HIS 92 Cb 1.19 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.68 5gsp h HIS 92 CO 0.48 0.00 1.11 0.99 0.86 0.00 0.00 177.93 181.37 5gsp s THR 93 N -3.23 3.03 0.00 2.45 2.01 -1.26 -1.90 115.64 116.74 5gsp s THR 93 Ca 0.06 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.35 5gsp s THR 93 Cb 0.07 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.39 5gsp s THR 93 CO 0.69 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.21 5gsp n GLY 94 N 4.24 0.55 3.24 4.40 0.00 -1.26 -4.79 105.19 111.57 5gsp n GLY 94 Ca 0.18 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 5gsp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5gsp s ALA 95 N -2.00 1.81 0.39 4.61 0.00 -0.80 -4.97 121.76 120.81 5gsp s ALA 95 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 5gsp s ALA 95 Cb 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 23.12 22.59 5gsp s ALA 95 CO 0.00 0.44 1.14 -1.54 0.00 0.00 0.00 175.76 175.80 5gsp s SER 96 N -0.61 6.62 1.57 0.00 1.04 -1.26 -4.72 113.70 116.34 5gsp s SER 96 Ca 0.08 2.28 0.00 0.00 0.48 0.00 0.00 55.95 58.80 5gsp s SER 96 Cb -0.08 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.43 5gsp s SER 96 CO -0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.22 5gsp n GLY 97 N 0.62 3.51 1.59 7.32 0.00 -1.26 -1.75 105.19 115.22 5gsp n GLY 97 Ca 0.04 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.09 5gsp n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5gsp n ASN 98 N 4.89 4.90 -4.86 1.61 3.02 -1.26 -4.98 115.26 118.59 5gsp n ASN 98 Ca 0.00 -3.05 -0.29 0.00 -0.03 0.00 0.00 54.58 51.21 5gsp n ASN 98 Cb 0.00 -0.66 0.09 0.00 -0.61 0.00 0.00 39.78 38.61 5gsp n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 5gsp s ASN 99 N -1.25 4.44 0.23 6.41 0.01 -0.72 -5.03 114.94 119.02 5gsp s ASN 99 Ca 0.51 0.95 0.09 0.00 -0.71 0.00 0.00 52.86 53.70 5gsp s ASN 99 Cb 0.40 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 40.47 5gsp s ASN 99 CO 0.13 -1.96 -0.17 -0.36 -1.51 0.00 0.00 177.10 173.23 5gsp s PHE 100 N -3.42 1.91 0.05 2.20 0.08 -1.26 -4.39 117.98 113.16 5gsp s PHE 100 Ca 0.62 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 57.18 5gsp s PHE 100 Cb -0.12 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 5gsp s PHE 100 CO 0.51 0.47 -0.05 0.14 -0.10 0.00 0.00 175.22 176.20 5gsp s VAL 101 N -2.75 0.35 0.40 -0.44 -7.23 -0.23 -4.94 120.40 105.56 5gsp s VAL 101 Ca 0.24 -1.53 -0.23 0.00 -1.81 0.00 0.00 61.98 58.65 5gsp s VAL 101 Cb -0.03 -1.14 -0.10 0.00 0.56 0.00 0.00 36.38 35.67 5gsp s VAL 101 CO 0.09 -0.77 0.98 -1.61 -0.31 0.00 0.00 175.10 173.48 5gsp s GLU 102 N -3.01 4.26 0.21 4.82 2.02 -1.26 -0.57 118.70 125.17 5gsp s GLU 102 Ca 0.01 1.29 -0.29 0.00 0.02 0.00 0.00 54.97 55.99 5gsp s GLU 102 Cb 0.01 -2.41 -0.08 0.00 0.10 0.00 0.00 34.13 31.74 5gsp s GLU 102 CO -0.05 -0.02 0.92 0.00 0.02 0.00 0.00 175.26 176.14