#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksp s PRO 36 N 0.00 3.03 0.33 1.61 0.02 -1.26 -4.99 135.00 133.74 2ksp s PRO 36 Ca 0.00 0.36 -0.24 0.00 0.02 0.00 0.00 61.00 61.14 2ksp s PRO 36 Cb 0.00 -4.24 -0.10 0.00 0.02 0.00 0.00 34.50 30.19 2ksp s PRO 36 CO 0.00 -2.27 0.92 -0.51 -0.33 0.00 0.00 177.00 174.81 2ksp s LEU 37 N 7.07 4.28 0.86 -5.54 1.43 -1.26 -5.05 118.68 120.47 2ksp s LEU 37 Ca 0.54 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 55.28 2ksp s LEU 37 Cb -0.11 -4.05 0.11 0.00 0.03 0.00 0.00 46.19 42.17 2ksp s LEU 37 CO 0.21 -0.10 1.17 -0.83 0.23 0.00 0.00 176.35 177.03 2ksp s GLY 38 N -1.71 1.59 -0.16 -3.19 0.00 -1.26 -5.02 107.32 97.56 2ksp s GLY 38 Ca 0.51 -0.63 -0.21 0.00 0.00 0.00 0.00 44.72 44.39 2ksp s GLY 38 CO 0.22 -0.09 0.64 -1.35 0.00 0.00 0.00 173.10 172.51 2ksp s SER 39 N -4.37 6.75 -0.75 1.64 1.04 -1.26 -5.01 113.70 111.74 2ksp s SER 39 Ca 0.63 0.91 -0.22 0.00 0.48 0.00 0.00 55.95 57.75 2ksp s SER 39 Cb -0.12 -2.36 0.08 0.00 0.10 0.00 0.00 66.02 63.72 2ksp s SER 39 CO 0.51 -0.22 1.08 -0.62 0.98 0.00 0.00 173.24 174.96 2ksp s ASP 40 N 1.07 6.29 -0.60 7.02 2.15 -1.26 -4.97 116.67 126.37 2ksp s ASP 40 Ca 0.30 -1.18 -0.14 0.00 0.43 0.00 0.00 52.55 51.97 2ksp s ASP 40 Cb -0.16 -2.44 0.15 0.00 -0.30 0.00 0.00 42.92 40.16 2ksp s ASP 40 CO 0.12 -1.42 0.53 -0.62 -0.17 0.00 0.00 175.17 173.61 2ksp s ASP 41 N 3.79 6.21 0.34 -0.34 2.15 -1.26 -5.06 116.67 122.50 2ksp s ASP 41 Ca 0.28 -2.05 -0.08 0.00 0.43 0.00 0.00 52.55 51.13 2ksp s ASP 41 Cb -0.12 -2.17 -0.06 0.00 -0.30 0.00 0.00 42.92 40.27 2ksp s ASP 41 CO 0.05 -0.75 0.66 0.54 -0.17 0.00 0.00 175.17 175.49 2ksp s VAL 42 N 1.18 4.90 -1.09 1.11 0.11 -1.26 -4.99 120.40 120.36 2ksp s VAL 42 Ca 0.07 0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 59.28 2ksp s VAL 42 Cb -0.25 -3.72 0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2ksp s VAL 42 CO -0.00 -0.38 1.56 -1.83 -3.33 0.00 0.00 175.10 171.12 2ksp s GLU 43 N -3.58 3.61 -0.85 1.54 1.03 -1.26 -4.92 118.70 114.27 2ksp s GLU 43 Ca 0.48 -1.30 -0.24 0.00 0.03 0.00 0.00 54.97 53.94 2ksp s GLU 43 Cb -0.11 -5.39 0.05 0.00 -0.80 0.00 0.00 34.13 27.89 2ksp s GLU 43 CO 0.29 -2.33 1.28 -0.46 -1.33 0.00 0.00 175.26 172.71 2ksp s TRP 44 N 5.21 2.52 0.58 4.83 -0.00 -1.26 -4.66 118.94 126.16 2ksp s TRP 44 Ca 0.50 -0.55 0.28 0.00 -0.00 0.00 0.00 56.10 56.33 2ksp s TRP 44 Cb 0.01 -4.57 1.63 0.00 -0.00 0.00 0.00 33.47 30.54 2ksp s TRP 44 CO -0.04 -1.90 2.10 -0.39 -0.00 0.00 0.00 176.95 176.71 2ksp h VAL 45 N 6.28 0.51 0.00 5.86 -1.51 -1.92 0.22 116.25 125.69 2ksp h VAL 45 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2ksp h VAL 45 Cb 1.04 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 2ksp h VAL 45 CO 1.30 0.00 0.00 0.58 -1.23 0.00 0.00 177.57 178.22 2ksp h VAL 46 N 0.00 0.00 0.00 7.19 2.07 -1.89 0.08 116.25 123.70 2ksp h VAL 46 Ca 0.09 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2ksp h VAL 46 Cb 0.50 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2ksp h VAL 46 CO -0.00 0.00 -0.04 1.23 0.02 0.00 0.00 177.57 178.78 2ksp h GLY 47 N 0.56 0.00 1.59 2.17 0.00 -1.36 0.37 103.07 106.41 2ksp h GLY 47 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2ksp h GLY 47 CO 0.00 0.00 -1.12 0.50 0.00 0.00 0.00 176.54 175.92 2ksp h LYS 48 N 0.00 0.00 0.00 4.80 1.79 -1.17 -3.34 116.57 118.65 2ksp h LYS 48 Ca -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2ksp h LYS 48 Cb 0.15 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2ksp h LYS 48 CO 0.01 0.65 -1.13 -0.44 -1.08 0.00 0.00 179.45 177.45 2ksp h ASP 49 N 0.00 0.00 -0.48 0.86 5.19 -1.04 -3.41 116.42 117.54 2ksp h ASP 49 Ca -0.10 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.40 2ksp h ASP 49 Cb 1.71 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 41.12 2ksp h ASP 49 CO 0.09 0.81 -0.35 0.11 -3.12 0.00 0.00 179.24 176.78 2ksp h LYS 50 N 0.00 -0.22 -0.91 3.56 1.79 -0.48 -2.57 116.57 117.74 2ksp h LYS 50 Ca -0.10 0.02 0.19 0.00 -2.18 0.00 0.00 60.65 58.57 2ksp h LYS 50 Cb 1.71 0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 32.30 2ksp h LYS 50 CO 0.09 -0.15 0.48 -1.00 -1.08 0.00 0.00 179.45 177.79 2ksp h PRO 51 N -0.23 0.56 -0.20 3.15 0.13 -1.84 0.42 132.00 134.00 2ksp h PRO 51 Ca 0.19 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 2ksp h PRO 51 Cb 0.55 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 2ksp h PRO 51 CO -0.60 0.37 -0.29 1.15 -0.23 0.00 0.00 178.00 178.40 2ksp h THR 52 N 0.58 1.33 0.00 1.56 2.02 -1.78 -2.21 112.91 114.41 2ksp h THR 52 Ca 0.54 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2ksp h THR 52 Cb 0.90 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2ksp h THR 52 CO -0.43 0.46 0.00 1.88 0.37 0.00 0.00 175.52 177.80 2ksp h TYR 53 N 0.22 0.00 -0.30 3.16 0.05 -1.24 -2.31 116.97 116.55 2ksp h TYR 53 Ca 0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 2ksp h TYR 53 Cb 0.86 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 2ksp h TYR 53 CO 0.09 0.00 -0.04 0.22 -1.05 0.00 0.00 178.16 177.37 2ksp h ASP 54 N 0.00 0.56 -0.40 3.88 1.82 0.04 0.22 116.42 122.55 2ksp h ASP 54 Ca 0.00 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.29 2ksp h ASP 54 Cb 0.83 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.67 2ksp h ASP 54 CO 0.00 0.78 0.21 -0.33 -1.61 0.00 0.00 179.24 178.28 2ksp h GLU 55 N 0.34 0.56 -0.77 0.28 5.08 -1.13 -1.60 114.58 117.35 2ksp h GLU 55 Ca 0.08 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ksp h GLU 55 Cb 0.51 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2ksp h GLU 55 CO 0.02 0.47 0.31 0.82 -1.00 0.00 0.00 179.01 179.64 2ksp h ILE 56 N 0.51 1.26 -0.77 3.13 2.04 -1.31 -2.10 117.51 120.26 2ksp h ILE 56 Ca 0.14 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.24 2ksp h ILE 56 Cb 0.08 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 2ksp h ILE 56 CO -0.02 0.33 0.51 0.15 0.00 0.00 0.00 178.15 179.11 2ksp h PHE 57 N 1.12 0.90 0.00 1.37 3.57 -0.17 -1.30 116.94 122.43 2ksp h PHE 57 Ca 0.26 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 2ksp h PHE 57 Cb 0.21 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2ksp h PHE 57 CO 0.02 0.51 -0.37 1.88 -2.23 0.00 0.00 178.31 178.12 2ksp h TYR 58 N 0.92 0.00 0.00 0.41 -1.99 -0.68 -3.15 116.97 112.48 2ksp h TYR 58 Ca 0.31 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.04 2ksp h TYR 58 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 2ksp h TYR 58 CO -0.00 0.37 -0.12 0.25 -0.00 0.00 0.00 178.16 178.66 2ksp n THR 59 N -3.33 0.57 1.16 -2.88 -2.24 -0.52 -2.65 114.28 104.39 2ksp n THR 59 Ca 0.01 -0.29 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 2ksp n THR 59 Cb 0.59 -0.50 0.37 0.00 -2.10 0.00 0.00 70.33 68.68 2ksp n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ksp n LEU 60 N -2.26 1.84 -2.22 3.22 4.77 -1.00 -4.98 117.00 116.37 2ksp n LEU 60 Ca 0.05 -0.76 -0.02 0.00 -0.03 0.00 0.00 56.01 55.25 2ksp n LEU 60 Cb 0.44 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2ksp n LEU 60 CO 0.32 0.38 -0.12 -0.24 -1.33 0.00 0.00 177.39 176.39 2ksp n SER 61 N 0.44 -5.38 -4.61 -1.43 2.88 -1.08 -4.93 113.62 99.51 2ksp n SER 61 Ca 0.17 0.55 -0.43 0.00 -1.33 0.00 0.00 58.87 57.83 2ksp n SER 61 Cb 0.36 -3.47 -0.02 0.00 -0.75 0.00 0.00 64.21 60.33 2ksp n SER 61 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ksp s PRO 62 N -1.43 3.64 -0.33 -1.46 0.04 -1.25 -4.81 135.00 129.41 2ksp s PRO 62 Ca 0.07 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 61.83 2ksp s PRO 62 Cb -0.02 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2ksp s PRO 62 CO 0.44 -1.48 0.73 0.14 0.04 0.00 0.00 177.00 176.87 2ksp s VAL 63 N 5.16 4.82 -2.06 -0.36 -7.23 -1.20 -3.67 120.40 115.87 2ksp s VAL 63 Ca 0.59 0.94 0.00 0.00 -1.81 0.00 0.00 61.98 61.70 2ksp s VAL 63 Cb -0.13 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 32.68 2ksp s VAL 63 CO 0.31 -0.29 0.00 0.59 -0.31 0.00 0.00 175.10 175.40 2ksp n ASN 64 N 6.17 -5.61 0.00 4.85 3.02 -1.26 -1.95 115.26 120.48 2ksp n ASN 64 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 2ksp n ASN 64 Cb 0.48 -4.84 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 2ksp n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ksp n GLY 65 N -0.62 0.56 3.36 7.41 0.00 -1.24 -5.04 105.19 109.62 2ksp n GLY 65 Ca -0.22 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 2ksp n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ksp s LYS 66 N -1.30 0.43 0.43 1.61 2.20 -0.82 -4.46 119.74 117.83 2ksp s LYS 66 Ca 0.00 1.01 -0.11 0.00 -0.36 0.00 0.00 55.97 56.52 2ksp s LYS 66 Cb 0.00 0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 36.49 2ksp s LYS 66 CO 0.00 -0.20 0.81 0.96 -0.36 0.00 0.00 175.35 176.56 2ksp s ILE 67 N 2.05 4.77 0.78 5.43 -4.36 -0.58 -3.22 121.20 126.07 2ksp s ILE 67 Ca -0.06 0.66 -0.06 0.00 -0.26 0.00 0.00 60.65 60.92 2ksp s ILE 67 Cb -0.10 -3.75 0.13 0.00 1.25 0.00 0.00 42.46 40.00 2ksp s ILE 67 CO -0.14 -0.60 1.08 0.42 0.24 0.00 0.00 174.94 175.94 2ksp s THR 68 N -2.47 2.14 0.37 8.37 -4.23 -1.26 -1.63 115.64 116.94 2ksp s THR 68 Ca 0.52 -0.37 0.21 0.00 -1.18 0.00 0.00 61.69 60.87 2ksp s THR 68 Cb -0.10 -2.77 0.21 0.00 1.34 0.00 0.00 72.50 71.18 2ksp s THR 68 CO 0.34 0.00 1.96 1.23 -0.54 0.00 0.00 174.62 177.61 2ksp h GLY 69 N -0.84 0.00 0.91 3.99 0.00 -1.97 -2.99 103.07 102.17 2ksp h GLY 69 Ca -0.40 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 2ksp h GLY 69 CO 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.72 2ksp h ALA 70 N 1.78 0.36 0.18 3.60 0.00 -1.93 0.25 119.26 123.51 2ksp h ALA 70 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2ksp h ALA 70 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ksp h ALA 70 CO 0.03 0.34 -0.09 -0.91 0.00 0.00 0.00 179.25 178.62 2ksp h ASN 71 N 0.31 -0.21 1.06 0.00 -0.26 -1.88 -2.01 115.58 112.59 2ksp h ASN 71 Ca 0.04 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.69 2ksp h ASN 71 Cb 0.81 0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 38.12 2ksp h ASN 71 CO 0.06 -0.11 -0.29 0.00 -1.06 0.00 0.00 177.43 176.03 2ksp h ALA 72 N 0.52 0.95 -0.24 -0.83 0.00 -1.59 -2.42 119.26 115.65 2ksp h ALA 72 Ca -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2ksp h ALA 72 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ksp h ALA 72 CO 0.04 0.36 0.07 -0.22 0.00 0.00 0.00 179.25 179.51 2ksp h LYS 73 N 0.00 0.37 0.00 0.00 3.64 -0.48 0.22 116.57 120.32 2ksp h LYS 73 Ca -0.00 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2ksp h LYS 73 Cb 0.90 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2ksp h LYS 73 CO 0.04 0.46 -0.41 1.57 -2.27 0.00 0.00 179.45 178.84 2ksp h LYS 74 N 0.21 0.00 -0.32 1.90 2.10 -1.29 -1.83 116.57 117.35 2ksp h LYS 74 Ca 0.08 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.66 2ksp h LYS 74 Cb 0.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2ksp h LYS 74 CO -0.00 0.41 -0.07 1.49 -2.00 0.00 0.00 179.45 179.27 2ksp h GLU 75 N 0.00 0.62 -0.88 0.07 4.57 -1.04 -2.15 114.58 115.77 2ksp h GLU 75 Ca -0.00 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 2ksp h GLU 75 Cb 0.87 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 2ksp h GLU 75 CO 0.05 0.79 0.49 0.52 -1.18 0.00 0.00 179.01 179.68 2ksp h MET 76 N 0.39 1.22 0.00 1.92 2.86 -0.22 -1.36 114.93 119.74 2ksp h MET 76 Ca 0.08 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2ksp h MET 76 Cb 0.56 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2ksp h MET 76 CO 0.03 0.88 -0.21 -0.39 1.06 0.00 0.00 176.91 178.29 2ksp h VAL 77 N 1.23 0.45 0.00 -2.22 -1.51 -1.30 -2.10 116.25 110.79 2ksp h VAL 77 Ca 0.31 -1.19 -0.06 0.00 -1.23 0.00 0.00 66.70 64.53 2ksp h VAL 77 Cb 0.01 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2ksp h VAL 77 CO -0.05 0.20 -0.27 0.11 -1.23 0.00 0.00 177.57 176.33 2ksp h LYS 78 N 0.00 0.00 0.00 5.19 1.57 -0.59 -2.71 116.57 120.02 2ksp h LYS 78 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ksp h LYS 78 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2ksp h LYS 78 CO 0.03 0.27 0.00 0.77 -0.57 0.00 0.00 179.45 179.95 2ksp h SER 79 N 0.00 0.00 -2.09 0.86 0.02 -0.59 -3.46 113.55 108.28 2ksp h SER 79 Ca -0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2ksp h SER 79 Cb 0.87 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 2ksp h SER 79 CO 0.04 0.00 -0.34 0.29 -1.14 0.00 0.00 176.83 175.67 2ksp n LYS 80 N -2.46 -1.47 -3.77 3.45 4.01 -1.02 -5.03 118.16 111.87 2ksp n LYS 80 Ca 0.01 0.62 -0.29 0.00 -0.51 0.00 0.00 58.31 58.15 2ksp n LYS 80 Cb 0.22 -4.83 -0.04 0.00 -0.51 0.00 0.00 35.03 29.88 2ksp n LYS 80 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ksp s LEU 81 N -3.88 4.28 0.44 -0.35 2.01 -1.26 -5.07 118.68 114.85 2ksp s LEU 81 Ca 0.04 0.38 -0.25 0.00 0.01 0.00 0.00 54.13 54.31 2ksp s LEU 81 Cb -0.02 -3.12 -0.09 0.00 0.01 0.00 0.00 46.19 42.98 2ksp s LEU 81 CO 0.05 0.03 1.31 -2.65 1.01 0.00 0.00 176.35 176.09 2ksp n PRO 82 N -0.33 1.95 -0.11 1.29 -0.02 -1.26 -4.84 135.00 131.68 2ksp n PRO 82 Ca -0.05 0.70 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 2ksp n PRO 82 Cb 0.53 -2.45 0.43 0.00 -0.02 0.00 0.00 33.50 31.99 2ksp n PRO 82 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2ksp h ASN 83 N 2.03 0.50 -0.91 2.55 4.21 -1.98 0.13 115.58 122.11 2ksp h ASN 83 Ca -0.49 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.07 2ksp h ASN 83 Cb 1.29 -0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 38.34 2ksp h ASN 83 CO 0.60 0.32 0.60 0.74 -1.29 0.00 0.00 177.43 178.39 2ksp h THR 84 N 0.57 1.14 -0.33 2.81 2.02 -2.00 -2.05 112.91 115.07 2ksp h THR 84 Ca 0.27 -0.39 -0.16 0.00 0.77 0.00 0.00 66.41 66.90 2ksp h THR 84 Cb 0.34 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2ksp h THR 84 CO -0.08 0.21 -0.44 0.58 0.37 0.00 0.00 175.52 176.15 2ksp h VAL 85 N 1.13 1.28 -0.38 3.16 2.07 -1.10 -2.30 116.25 120.10 2ksp h VAL 85 Ca 0.37 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.30 2ksp h VAL 85 Cb 0.04 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2ksp h VAL 85 CO -0.11 0.53 0.17 -0.07 0.02 0.00 0.00 177.57 178.11 2ksp h LEU 86 N 0.69 0.24 -0.97 2.57 4.07 -1.09 0.14 115.31 120.96 2ksp h LEU 86 Ca 0.04 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 2ksp h LEU 86 Cb 1.02 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.70 2ksp h LEU 86 CO 0.10 0.18 0.59 1.23 -1.08 0.00 0.00 178.44 179.46 2ksp h GLY 87 N 0.36 1.38 0.80 0.83 0.00 -1.18 -0.59 103.07 104.67 2ksp h GLY 87 Ca 0.17 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 2ksp h GLY 87 CO -0.13 0.55 -0.19 0.50 0.00 0.00 0.00 176.54 177.26 2ksp h LYS 88 N 1.32 0.44 -0.41 4.80 1.57 -0.83 -1.38 116.57 122.08 2ksp h LYS 88 Ca 0.35 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 2ksp h LYS 88 Cb -0.08 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2ksp h LYS 88 CO -0.07 0.81 0.16 0.82 -0.57 0.00 0.00 179.45 180.60 2ksp h ILE 89 N 0.09 0.89 -0.25 1.86 1.08 -0.54 -1.92 117.51 118.73 2ksp h ILE 89 Ca 0.03 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2ksp h ILE 89 Cb 0.73 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 2ksp h ILE 89 CO 0.05 0.06 0.06 -0.25 -0.69 0.00 0.00 178.15 177.38 2ksp h TRP 90 N 0.33 0.41 0.00 1.37 2.91 -1.06 0.16 115.95 120.07 2ksp h TRP 90 Ca 0.19 -0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.13 2ksp h TRP 90 Cb 0.16 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.69 2ksp h TRP 90 CO -0.14 0.48 -0.13 -0.22 -1.03 0.00 0.00 178.44 177.40 2ksp h LYS 91 N 0.22 0.00 0.04 2.65 3.64 -0.96 0.13 116.57 122.30 2ksp h LYS 91 Ca 0.08 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.25 2ksp h LYS 91 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2ksp h LYS 91 CO 0.00 0.13 -1.11 -0.07 -2.27 0.00 0.00 179.45 176.13 2ksp h LEU 92 N 0.00 0.15 -0.67 5.20 -0.00 -1.18 -3.40 115.31 115.41 2ksp h LEU 92 Ca -0.00 -0.74 -0.11 0.00 -0.00 0.00 0.00 57.88 57.03 2ksp h LEU 92 Cb 0.42 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 2ksp h LEU 92 CO 0.02 1.46 -0.18 0.00 -0.00 0.00 0.00 178.44 179.73 2ksp h ALA 93 N -0.22 0.86 -0.89 1.53 0.00 -0.21 -3.36 119.26 116.96 2ksp h ALA 93 Ca -0.27 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 53.76 2ksp h ALA 93 Cb 1.43 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2ksp h ALA 93 CO -0.07 0.64 1.46 0.34 0.00 0.00 0.00 179.25 181.62 2ksp s ASP 94 N -6.72 6.12 0.33 0.00 2.15 0.42 -4.74 116.67 114.24 2ksp s ASP 94 Ca -0.10 -1.57 0.18 0.00 0.43 0.00 0.00 52.55 51.49 2ksp s ASP 94 Cb 0.13 -2.57 0.37 0.00 -0.30 0.00 0.00 42.92 40.55 2ksp s ASP 94 CO 0.84 -1.88 1.58 0.58 -0.17 0.00 0.00 175.17 176.13 2ksp h VAL 95 N 6.51 0.80 0.00 1.11 2.07 -1.88 -2.97 116.25 121.90 2ksp h VAL 95 Ca 0.24 -1.84 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 2ksp h VAL 95 Cb 0.97 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2ksp h VAL 95 CO 1.37 0.41 -0.25 0.44 0.02 0.00 0.00 177.57 179.55 2ksp h ASP 96 N 0.00 0.00 -4.95 0.57 3.32 -1.92 -3.46 116.42 109.98 2ksp h ASP 96 Ca -0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 2ksp h ASP 96 Cb 1.15 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.72 2ksp h ASP 96 CO 0.05 0.25 -0.60 0.29 -1.72 0.00 0.00 179.24 177.51 2ksp n LYS 97 N -3.49 -4.65 -0.00 3.56 4.76 -1.12 -4.88 118.16 112.33 2ksp n LYS 97 Ca -0.00 0.76 0.11 0.00 -2.87 0.00 0.00 58.31 56.30 2ksp n LYS 97 Cb 0.42 -5.59 -0.16 0.00 -1.84 0.00 0.00 35.03 27.87 2ksp n LYS 97 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2ksp n ASP 98 N -2.50 0.15 0.00 4.39 5.75 -1.26 -4.98 116.55 118.11 2ksp n ASP 98 Ca -0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 2ksp n ASP 98 Cb 0.59 1.81 0.00 0.00 -1.03 0.00 0.00 41.12 42.49 2ksp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ksp n GLY 99 N 1.29 0.96 3.53 6.12 0.00 -1.26 -5.04 105.19 110.79 2ksp n GLY 99 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2ksp n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksp s LEU 100 N 0.00 2.79 -0.22 0.99 1.43 -1.26 -3.86 118.68 118.55 2ksp s LEU 100 Ca 0.00 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 2ksp s LEU 100 Cb 0.00 -1.30 0.04 0.00 0.03 0.00 0.00 46.19 44.96 2ksp s LEU 100 CO 0.00 0.02 -0.13 -0.76 0.23 0.00 0.00 176.35 175.71 2ksp s LEU 101 N -3.57 2.72 0.00 1.79 1.43 -0.64 -4.94 118.68 115.47 2ksp s LEU 101 Ca 0.31 -1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.29 2ksp s LEU 101 Cb -0.05 -1.42 0.13 0.00 0.03 0.00 0.00 46.19 44.87 2ksp s LEU 101 CO 0.17 -0.13 0.78 -0.90 0.23 0.00 0.00 176.35 176.50 2ksp n ASP 102 N 4.57 0.34 0.24 2.29 5.68 -1.26 -1.53 116.55 126.88 2ksp n ASP 102 Ca -0.16 -1.46 0.08 0.00 -0.50 0.00 0.00 54.79 52.76 2ksp n ASP 102 Cb 0.45 -0.57 0.60 0.00 -1.14 0.00 0.00 41.12 40.46 2ksp n ASP 102 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2ksp h ASP 103 N -0.87 0.00 0.24 -1.12 2.03 -1.97 0.23 116.42 114.96 2ksp h ASP 103 Ca -0.25 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.70 2ksp h ASP 103 Cb 0.77 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.28 2ksp h ASP 103 CO 0.21 0.15 -1.72 1.05 -1.03 0.00 0.00 179.24 177.89 2ksp h GLU 104 N 0.00 0.36 -0.33 4.15 4.11 -1.97 -2.22 114.58 118.68 2ksp h GLU 104 Ca -0.00 -0.62 -0.02 0.00 0.07 0.00 0.00 59.36 58.78 2ksp h GLU 104 Cb 0.30 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2ksp h GLU 104 CO 0.02 1.27 0.12 0.93 0.07 0.00 0.00 179.01 181.42 2ksp h GLU 105 N 0.10 0.50 -0.68 1.06 5.08 -1.77 -1.68 114.58 117.19 2ksp h GLU 105 Ca -0.33 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 2ksp h GLU 105 Cb 2.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 31.23 2ksp h GLU 105 CO 0.17 0.51 0.16 0.35 -1.00 0.00 0.00 179.01 179.21 2ksp h PHE 106 N 0.37 1.13 -0.33 4.33 3.57 -0.66 0.49 116.94 125.84 2ksp h PHE 106 Ca 0.11 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2ksp h PHE 106 Cb 0.21 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2ksp h PHE 106 CO 0.00 0.92 -0.08 0.00 -2.23 0.00 0.00 178.31 176.92 2ksp h ALA 107 N 1.14 1.26 -0.38 2.41 0.00 -1.27 0.21 119.26 122.64 2ksp h ALA 107 Ca 0.21 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2ksp h ALA 107 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ksp h ALA 107 CO 0.00 0.49 -0.26 -0.07 0.00 0.00 0.00 179.25 179.42 2ksp h LEU 108 N 0.51 0.88 -0.15 0.00 3.38 -0.66 0.14 115.31 119.41 2ksp h LEU 108 Ca 0.10 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.68 2ksp h LEU 108 Cb 0.45 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2ksp h LEU 108 CO 0.02 1.12 -0.17 0.00 0.09 0.00 0.00 178.44 179.51 2ksp h ALA 109 N 0.78 -0.08 -0.64 1.53 0.00 -0.34 0.70 119.26 121.21 2ksp h ALA 109 Ca 0.07 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2ksp h ALA 109 Cb 0.83 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2ksp h ALA 109 CO 0.07 -0.61 0.06 -0.91 0.00 0.00 0.00 179.25 177.86 2ksp h ASN 110 N -0.20 1.05 -0.35 0.00 -0.26 -0.89 -1.35 115.58 113.58 2ksp h ASN 110 Ca 0.10 -0.27 0.03 0.00 -0.56 0.00 0.00 56.30 55.60 2ksp h ASN 110 Cb 0.35 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 2ksp h ASN 110 CO -0.27 1.07 0.16 -0.74 -1.06 0.00 0.00 177.43 176.59 2ksp h HIS 111 N 1.01 0.29 -0.46 1.19 2.76 -0.29 0.55 115.15 120.20 2ksp h HIS 111 Ca 0.19 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 2ksp h HIS 111 Cb 0.50 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 2ksp h HIS 111 CO 0.04 0.15 0.07 -0.07 -1.30 0.00 0.00 177.93 176.82 2ksp h LEU 112 N 0.33 0.72 -0.65 0.26 3.38 -0.65 -1.03 115.31 117.67 2ksp h LEU 112 Ca 0.15 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2ksp h LEU 112 Cb 0.08 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 2ksp h LEU 112 CO -0.12 0.80 0.36 0.40 0.09 0.00 0.00 178.44 179.96 2ksp h ILE 113 N 0.62 0.96 -0.66 1.22 2.04 -0.94 -1.72 117.51 119.03 2ksp h ILE 113 Ca 0.14 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2ksp h ILE 113 Cb 0.38 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2ksp h ILE 113 CO 0.01 0.12 0.37 0.50 0.00 0.00 0.00 178.15 179.15 2ksp h LYS 114 N 0.66 0.91 -0.85 2.37 3.64 -0.50 -0.31 116.57 122.50 2ksp h LYS 114 Ca 0.29 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.66 2ksp h LYS 114 Cb 0.19 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 2ksp h LYS 114 CO -0.19 0.67 0.50 0.28 -2.27 0.00 0.00 179.45 178.45 2ksp h VAL 115 N 0.90 0.96 -0.53 2.00 2.07 -0.44 0.30 116.25 121.51 2ksp h VAL 115 Ca 0.23 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2ksp h VAL 115 Cb 0.02 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 2ksp h VAL 115 CO -0.04 0.16 0.24 0.11 0.02 0.00 0.00 177.57 178.06 2ksp h LYS 116 N 0.87 0.77 0.00 1.57 1.79 -0.71 -1.57 116.57 119.29 2ksp h LYS 116 Ca 0.39 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.69 2ksp h LYS 116 Cb 0.29 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2ksp h LYS 116 CO -0.22 0.64 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.49 2ksp h LEU 117 N 0.71 0.00 0.00 2.94 3.38 0.52 -1.10 115.31 121.76 2ksp h LEU 117 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2ksp h LEU 117 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2ksp h LEU 117 CO -0.02 0.24 0.00 -0.62 0.09 0.00 0.00 178.44 178.13 2ksp n GLU 118 N -4.20 0.32 -0.03 1.13 -0.58 0.89 -4.82 120.64 113.35 2ksp n GLU 118 Ca -0.02 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2ksp n GLU 118 Cb 0.30 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2ksp n GLU 118 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ksp n GLY 119 N 0.27 0.62 3.25 0.62 0.00 -0.42 -5.07 105.19 104.46 2ksp n GLY 119 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 2ksp n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ksp n HIS 120 N -2.01 -0.28 -4.06 1.61 8.25 -0.62 -5.01 115.22 113.10 2ksp n HIS 120 Ca 0.00 -2.05 -0.08 0.00 -0.26 0.00 0.00 57.72 55.33 2ksp n HIS 120 Cb 0.00 -0.36 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 2ksp n HIS 120 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2ksp s GLU 121 N -3.86 0.53 0.23 -0.41 1.03 -1.26 -3.32 118.70 111.65 2ksp s GLU 121 Ca 0.20 -1.02 -0.29 0.00 0.03 0.00 0.00 54.97 53.89 2ksp s GLU 121 Cb -0.02 0.12 -0.09 0.00 -0.80 0.00 0.00 34.13 33.34 2ksp s GLU 121 CO 0.13 -0.08 0.91 -0.48 -1.33 0.00 0.00 175.26 174.41 2ksp s LEU 122 N -2.42 4.62 0.00 1.83 2.34 -1.26 -4.94 118.68 118.86 2ksp s LEU 122 Ca -0.00 1.88 0.04 0.00 0.06 0.00 0.00 54.13 56.11 2ksp s LEU 122 Cb 0.01 -3.57 0.25 0.00 -0.56 0.00 0.00 46.19 42.32 2ksp s LEU 122 CO -0.06 0.16 0.87 -0.81 -1.06 0.00 0.00 176.35 175.44 2ksp n PRO 123 N 1.46 0.68 -1.45 1.48 -0.04 -1.26 -4.79 135.00 131.07 2ksp n PRO 123 Ca -0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 2ksp n PRO 123 Cb 0.47 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.77 2ksp n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksp n ALA 124 N -0.60 -0.24 -3.46 0.55 0.00 -1.26 -4.98 120.51 110.52 2ksp n ALA 124 Ca 0.03 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.41 2ksp n ALA 124 Cb 0.01 -1.73 -0.17 0.00 0.00 0.00 0.00 19.45 17.56 2ksp n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ksp s ASP 125 N -2.75 3.03 -0.67 0.00 1.01 -1.26 -5.08 116.67 110.95 2ksp s ASP 125 Ca 0.00 -0.57 -0.19 0.00 0.71 0.00 0.00 52.55 52.51 2ksp s ASP 125 Cb 0.00 -1.40 0.12 0.00 1.01 0.00 0.00 42.92 42.65 2ksp s ASP 125 CO 0.00 0.11 0.79 -0.76 0.21 0.00 0.00 175.17 175.52 2ksp s LEU 126 N 0.61 5.44 0.81 1.23 1.43 -1.26 -5.03 118.68 121.91 2ksp s LEU 126 Ca -0.13 -1.65 -0.10 0.00 -1.03 0.00 0.00 54.13 51.22 2ksp s LEU 126 Cb -0.17 -2.31 0.11 0.00 0.03 0.00 0.00 46.19 43.85 2ksp s LEU 126 CO 0.03 -1.06 1.15 -2.16 0.23 0.00 0.00 176.35 174.53 2ksp s PRO 127 N 2.47 1.64 0.50 1.29 0.04 -1.26 -4.73 135.00 134.95 2ksp s PRO 127 Ca 0.16 -0.28 0.25 0.00 0.04 0.00 0.00 61.00 61.17 2ksp s PRO 127 Cb -0.19 -2.03 1.33 0.00 0.04 0.00 0.00 34.50 33.65 2ksp s PRO 127 CO 0.02 -1.69 1.93 -1.35 0.04 0.00 0.00 177.00 175.95 2ksp h PRO 128 N -1.02 0.11 -0.56 0.56 0.11 -1.98 0.86 132.00 130.10 2ksp h PRO 128 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ksp h PRO 128 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2ksp h PRO 128 CO 0.54 0.08 0.00 -2.39 -0.21 0.00 0.00 178.00 176.01 2ksp n HIS 129 N -4.37 0.79 0.00 0.65 1.44 -1.26 -3.69 115.22 108.77 2ksp n HIS 129 Ca 0.15 -0.32 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2ksp n HIS 129 Cb 0.73 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.71 2ksp n HIS 129 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ksp n LEU 130 N 0.54 0.00 -4.66 2.39 4.77 -0.04 -3.98 117.00 116.02 2ksp n LEU 130 Ca 0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 2ksp n LEU 130 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2ksp n LEU 130 CO 0.13 0.00 1.09 -0.69 -1.33 0.00 0.00 177.39 176.59 2ksp s VAL 131 N -1.39 4.22 0.55 4.08 1.01 0.09 -4.95 120.40 124.02 2ksp s VAL 131 Ca 0.00 1.48 -0.21 0.00 0.00 0.00 0.00 61.98 63.25 2ksp s VAL 131 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2ksp s VAL 131 CO 0.00 -0.12 1.32 -2.84 0.00 0.00 0.00 175.10 173.46 2ksp s PRO 132 N 3.42 3.12 0.60 2.72 0.02 -1.26 -4.87 135.00 138.75 2ksp s PRO 132 Ca 0.56 2.14 0.31 0.00 0.02 0.00 0.00 61.00 64.03 2ksp s PRO 132 Cb -0.23 -2.20 1.78 0.00 0.02 0.00 0.00 34.50 33.87 2ksp s PRO 132 CO 0.16 -1.18 2.16 -1.35 -0.33 0.00 0.00 177.00 176.47 2ksp h PRO 133 N 1.37 0.00 0.00 5.54 0.11 -1.94 0.74 132.00 137.81 2ksp h PRO 133 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2ksp h PRO 133 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2ksp h PRO 133 CO 0.57 0.00 -0.02 1.03 -0.21 0.00 0.00 178.00 179.37 2ksp h SER 134 N 0.00 0.00 0.00 -2.05 0.87 -2.03 -2.73 113.55 107.61 2ksp h SER 134 Ca 0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ksp h SER 134 Cb 0.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2ksp h SER 134 CO -0.00 0.02 -0.32 0.29 -0.53 0.00 0.00 176.83 176.29 2ksp n LYS 135 N -3.14 1.45 -3.12 2.24 4.01 0.24 -4.99 118.16 114.86 2ksp n LYS 135 Ca -0.01 -3.01 -0.43 0.00 -0.51 0.00 0.00 58.31 54.35 2ksp n LYS 135 Cb 0.24 -1.55 -0.07 0.00 -0.51 0.00 0.00 35.03 33.13 2ksp n LYS 135 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2ksp s ARG 136 N -3.06 3.28 -0.17 1.97 1.81 -1.03 -4.90 118.95 116.86 2ksp s ARG 136 Ca 0.36 -0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 53.70 2ksp s ARG 136 Cb 0.33 -3.95 -0.01 0.00 -0.45 0.00 0.00 34.95 30.87 2ksp s ARG 136 CO -0.03 -0.99 1.27 1.03 -0.68 0.00 0.00 175.30 175.89 2ksp s ARG 137 N 2.79 4.22 -0.21 3.54 0.52 -1.26 -5.01 118.95 123.53 2ksp s ARG 137 Ca 0.22 1.65 -0.08 0.00 -0.52 0.00 0.00 55.73 57.00 2ksp s ARG 137 Cb -0.14 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 2ksp s ARG 137 CO 0.19 -0.73 0.10 -3.38 0.02 0.00 0.00 175.30 171.49 2ksp s HIS 138 N 3.55 3.25 0.00 -0.53 -3.43 -1.26 -5.27 115.29 111.60 2ksp s HIS 138 Ca 0.55 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.86 2ksp s HIS 138 Cb -0.22 -2.16 0.00 0.00 -1.43 0.00 0.00 32.58 28.77 2ksp s HIS 138 CO 0.15 0.05 0.00 0.39 -2.00 0.00 0.00 174.74 173.33