#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmd n MET 29 N 0.00 0.00 -3.65 1.57 0.00 -1.26 -4.16 117.12 109.62 2kmd n MET 29 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.70 57.61 2kmd n MET 29 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 2kmd n MET 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 2kmd s GLU 30 N 0.00 1.51 -1.45 2.12 -1.05 -1.25 -5.06 118.70 113.52 2kmd s GLU 30 Ca 0.00 -0.72 -0.09 0.00 -0.15 0.00 0.00 54.97 54.01 2kmd s GLU 30 Cb 0.00 0.59 0.04 0.00 -0.44 0.00 0.00 34.13 34.31 2kmd s GLU 30 CO 0.00 -0.68 2.50 0.00 0.95 0.00 0.00 175.26 178.03 2kmd n ALA 32 N 3.46 0.00 -2.87 0.00 0.00 -1.26 -5.14 120.51 114.70 2kmd n ALA 32 Ca 0.63 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.95 2kmd n ALA 32 Cb 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 2kmd n ALA 32 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kmd s ASP 33 N -1.93 0.02 0.56 0.00 1.47 -1.24 -5.16 116.67 110.39 2kmd s ASP 33 Ca 0.00 -0.01 -0.15 0.00 1.18 0.00 0.00 52.55 53.57 2kmd s ASP 33 Cb 0.00 -0.00 -0.06 0.00 -0.34 0.00 0.00 42.92 42.52 2kmd s ASP 33 CO 0.00 -0.00 1.01 0.68 0.68 0.00 0.00 175.17 177.54 2kmd s VAL 34 N -0.02 4.44 -0.40 2.11 -7.23 -1.26 -3.74 120.40 114.29 2kmd s VAL 34 Ca -0.00 1.05 -0.27 0.00 -1.81 0.00 0.00 61.98 60.95 2kmd s VAL 34 Cb -0.00 -3.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 2kmd s VAL 34 CO -0.00 -0.78 2.26 -2.16 -0.31 0.00 0.00 175.10 174.11 2kmd s PRO 35 N -4.39 2.56 0.00 4.82 0.04 -1.26 -3.77 135.00 132.99 2kmd s PRO 35 Ca 0.59 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2kmd s PRO 35 Cb -0.11 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2kmd s PRO 35 CO 0.39 -2.76 0.00 -0.11 0.04 0.00 0.00 177.00 174.56 2kmd n LEU 36 N 13.91 0.00 0.00 -3.56 7.94 -1.26 -5.06 117.00 128.97 2kmd n LEU 36 Ca 0.32 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 2kmd n LEU 36 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2kmd n LEU 36 CO 0.69 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 177.15 2kmd n LEU 37 N 0.00 0.00 0.00 -1.96 4.32 -1.25 -5.30 117.00 112.82 2kmd n LEU 37 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2kmd n LEU 37 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kmd n LEU 37 CO 0.00 0.00 0.00 -0.81 -1.22 0.00 0.00 177.39 175.36 2kmd n PRO 39 N 0.00 0.00 -4.13 3.23 -0.04 -1.26 -5.09 135.00 127.72 2kmd n PRO 39 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 2kmd n PRO 39 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2kmd n PRO 39 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2kmd s SER 40 N 0.00 5.80 0.00 3.54 0.01 -1.26 -5.03 113.70 116.76 2kmd s SER 40 Ca 0.00 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2kmd s SER 40 Cb 0.00 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2kmd s SER 40 CO 0.00 0.38 0.00 1.17 0.41 0.00 0.00 173.24 175.20 2kmd n LYS 42 N 2.12 0.00 0.01 12.44 4.81 -1.26 -1.35 118.16 134.93 2kmd n LYS 42 Ca -0.19 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.12 2kmd n LYS 42 Cb 0.54 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.58 2kmd n LYS 42 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kmd h GLU 43 N 0.00 0.60 -0.31 1.64 4.39 -1.99 -2.79 114.58 116.13 2kmd h GLU 43 Ca 0.00 -0.48 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 2kmd h GLU 43 Cb 0.00 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2kmd h GLU 43 CO 0.00 1.11 -0.08 1.98 -1.16 0.00 0.00 179.01 180.86 2kmd h MET 44 N 0.42 0.60 -0.58 2.33 4.05 -1.65 0.29 114.93 120.39 2kmd h MET 44 Ca -0.04 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2kmd h MET 44 Cb 1.34 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.07 2kmd h MET 44 CO 0.14 0.79 0.34 0.52 0.23 0.00 0.00 176.91 178.93 2kmd h MET 45 N 0.37 0.79 0.00 0.39 2.86 -1.82 -2.57 114.93 114.94 2kmd h MET 45 Ca 0.08 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 2kmd h MET 45 Cb 0.57 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2kmd h MET 45 CO 0.03 0.58 -0.55 0.66 1.06 0.00 0.00 176.91 178.69 2kmd h SER 46 N 0.78 0.00 -0.63 1.22 4.64 -1.47 -3.29 113.55 114.79 2kmd h SER 46 Ca 0.21 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.66 2kmd h SER 46 Cb -0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 2kmd h SER 46 CO -0.04 0.55 -0.11 -0.61 -0.87 0.00 0.00 176.83 175.75 2kmd h GLN 47 N 0.00 0.03 -0.53 4.77 4.15 -0.50 0.64 115.11 123.67 2kmd h GLN 47 Ca -0.01 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2kmd h GLN 47 Cb 1.22 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.88 2kmd h GLN 47 CO 0.07 0.02 0.34 0.00 -1.93 0.00 0.00 178.83 177.33 2kmd h ALA 48 N 1.62 0.68 -0.55 3.38 0.00 -1.63 -1.24 119.26 121.52 2kmd h ALA 48 Ca 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2kmd h ALA 48 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2kmd h ALA 48 CO -0.62 0.13 0.30 -0.07 0.00 0.00 0.00 179.25 179.00 2kmd h LEU 49 N 0.72 0.68 -0.71 0.00 4.07 -1.32 -1.45 115.31 117.29 2kmd h LEU 49 Ca 0.19 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 2kmd h LEU 49 Cb -0.06 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.48 2kmd h LEU 49 CO -0.04 0.58 0.32 0.11 -1.08 0.00 0.00 178.44 178.33 2kmd h LYS 50 N 0.73 1.04 -0.33 1.13 1.57 -0.66 -2.20 116.57 117.85 2kmd h LYS 50 Ca 0.19 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2kmd h LYS 50 Cb 0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2kmd h LYS 50 CO -0.03 0.84 -0.15 0.00 -0.57 0.00 0.00 179.45 179.54 2kmd h ALA 51 N 1.15 1.13 -0.32 3.86 0.00 -0.97 -3.09 119.26 121.02 2kmd h ALA 51 Ca 0.24 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2kmd h ALA 51 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kmd h ALA 51 CO -0.03 0.55 -0.06 1.15 0.00 0.00 0.00 179.25 180.86 2kmd h THR 52 N 0.53 1.27 -0.35 0.00 2.02 -0.93 -2.87 112.91 112.60 2kmd h THR 52 Ca 0.09 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 66.23 2kmd h THR 52 Cb 0.57 1.32 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 2kmd h THR 52 CO 0.04 0.35 -0.49 -0.26 0.37 0.00 0.00 175.52 175.53 2kmd h PHE 53 N 0.39 -1.49 -0.96 3.16 0.04 -1.31 0.35 116.94 117.13 2kmd h PHE 53 Ca 0.08 0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2kmd h PHE 53 Cb 0.54 0.69 -0.05 0.00 2.20 0.00 0.00 35.95 39.34 2kmd h PHE 53 CO 0.05 -0.43 0.61 1.03 -0.60 0.00 0.00 178.31 178.97 2kmd h SER 54 N -0.35 1.12 0.64 2.17 0.87 -1.63 -0.23 113.55 116.13 2kmd h SER 54 Ca 0.06 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2kmd h SER 54 Cb 0.52 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2kmd h SER 54 CO -0.51 0.83 0.00 0.61 -0.53 0.00 0.00 176.83 177.23 2kmd n GLY 55 N -1.33 -1.14 0.11 5.77 0.00 -0.62 -3.00 105.19 104.98 2kmd n GLY 55 Ca 0.11 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2kmd n GLY 55 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kmd n PHE 56 N -1.49 0.00 0.26 1.61 7.35 0.12 -4.23 117.46 121.08 2kmd n PHE 56 Ca 0.05 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.87 2kmd n PHE 56 Cb 0.22 -0.92 0.72 0.00 0.35 0.00 0.00 39.48 39.84 2kmd n PHE 56 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2kmd h THR 57 N 0.00 0.54 -0.05 -2.13 2.02 -1.08 0.67 112.91 112.89 2kmd h THR 57 Ca -0.53 -0.55 -0.21 0.00 0.77 0.00 0.00 66.41 65.88 2kmd h THR 57 Cb 1.89 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 2kmd h THR 57 CO -0.06 0.12 -0.85 0.07 0.37 0.00 0.00 175.52 175.17 2kmd h LYS 58 N 0.00 0.47 0.04 6.66 5.09 -1.74 -3.07 116.57 124.02 2kmd h LYS 58 Ca -0.00 -0.44 -0.26 0.00 0.09 0.00 0.00 60.65 60.04 2kmd h LYS 58 Cb 0.35 0.11 -0.03 0.00 0.10 0.00 0.00 32.23 32.77 2kmd h LYS 58 CO 0.02 1.08 -1.32 1.05 -2.09 0.00 0.00 179.45 178.19 2kmd h GLU 59 N 0.30 0.08 0.00 0.07 -0.00 -1.63 -3.09 114.58 110.30 2kmd h GLU 59 Ca -0.06 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.36 59.16 2kmd h GLU 59 Cb 1.46 0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 30.25 2kmd h GLU 59 CO 0.15 0.91 -0.06 1.96 -0.00 0.00 0.00 179.01 181.97 2kmd h GLN 60 N 0.02 0.00 0.18 1.06 4.20 -0.91 0.26 115.11 119.92 2kmd h GLN 60 Ca -0.14 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.22 2kmd h GLN 60 Cb 1.90 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.69 2kmd h GLN 60 CO 0.13 0.06 -1.75 -0.56 -0.67 0.00 0.00 178.83 176.04 2kmd h GLN 61 N 0.00 0.37 -0.09 1.46 3.07 -1.62 0.17 115.11 118.48 2kmd h GLN 61 Ca -0.00 -0.64 -0.14 0.00 0.09 0.00 0.00 58.65 57.96 2kmd h GLN 61 Cb 0.11 0.24 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 2kmd h GLN 61 CO 0.01 1.29 -0.57 0.00 0.09 0.00 0.00 178.83 179.65 2kmd h ARG 62 N 0.10 0.28 0.00 0.06 3.08 -1.40 -3.32 114.38 113.19 2kmd h ARG 62 Ca -0.34 -0.19 -0.38 0.00 0.07 0.00 0.00 59.98 59.15 2kmd h ARG 62 Cb 2.09 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 32.10 2kmd h ARG 62 CO 0.17 0.78 -2.39 1.28 -1.07 0.00 0.00 179.97 178.74 2kmd n LEU 63 N -3.90 1.42 0.00 3.04 4.77 0.91 -5.01 117.00 118.22 2kmd n LEU 63 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2kmd n LEU 63 Cb 0.60 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2kmd n LEU 63 CO 0.44 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 2kmd n GLY 64 N 1.97 0.33 3.68 -0.72 0.00 0.58 -5.05 105.19 105.99 2kmd n GLY 64 Ca -0.38 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.11 2kmd n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kmd n ILE 65 N -1.83 0.30 -0.76 -0.61 5.41 -1.06 -4.92 119.36 115.88 2kmd n ILE 65 Ca 0.00 -0.05 -0.29 0.00 1.00 0.00 0.00 62.75 63.41 2kmd n ILE 65 Cb 0.00 -1.36 0.24 0.00 -0.71 0.00 0.00 39.64 37.80 2kmd n ILE 65 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2kmd s PRO 66 N 2.87 -0.98 0.03 0.38 0.02 -1.26 -4.62 135.00 131.43 2kmd s PRO 66 Ca 0.92 0.50 0.23 0.00 0.02 0.00 0.00 61.00 62.67 2kmd s PRO 66 Cb -0.91 -1.57 0.20 0.00 0.02 0.00 0.00 34.50 32.24 2kmd s PRO 66 CO 0.56 -3.68 1.17 1.17 -0.33 0.00 0.00 177.00 175.89 2kmd n LYS 67 N -4.83 0.13 -3.79 5.54 4.81 -1.26 -4.85 118.16 113.91 2kmd n LYS 67 Ca 0.06 0.01 -0.36 0.00 -0.87 0.00 0.00 58.31 57.14 2kmd n LYS 67 Cb 0.57 -1.55 -0.11 0.00 0.02 0.00 0.00 35.03 33.95 2kmd n LYS 67 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2kmd s ASP 68 N -3.46 5.46 0.48 3.14 2.15 -1.26 -4.36 116.67 118.83 2kmd s ASP 68 Ca 0.07 -0.08 0.25 0.00 0.43 0.00 0.00 52.55 53.22 2kmd s ASP 68 Cb 0.16 -1.98 1.19 0.00 -0.30 0.00 0.00 42.92 41.99 2kmd s ASP 68 CO 0.77 0.02 1.96 1.55 -0.17 0.00 0.00 175.17 179.30 2kmd h PRO 69 N 7.84 0.00 -0.08 4.34 0.13 -1.77 -2.90 132.00 139.55 2kmd h PRO 69 Ca -0.37 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 2kmd h PRO 69 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kmd h PRO 69 CO 0.61 0.19 -0.50 0.00 -0.23 0.00 0.00 178.00 178.07 2kmd h ARG 70 N 0.00 0.21 -0.85 0.86 -0.00 -1.89 -2.87 114.38 109.85 2kmd h ARG 70 Ca -0.00 -0.12 -0.17 0.00 -0.50 0.00 0.00 59.98 59.19 2kmd h ARG 70 Cb 0.52 0.01 -0.10 0.00 0.00 0.00 0.00 29.97 30.40 2kmd h ARG 70 CO 0.02 0.66 0.21 0.00 0.00 0.00 0.00 179.97 180.87 2kmd n GLN 71 N -3.95 2.85 -2.89 0.04 10.64 -1.10 -3.32 117.38 119.65 2kmd n GLN 71 Ca -0.02 -2.14 -0.18 0.00 -1.83 0.00 0.00 57.00 52.83 2kmd n GLN 71 Cb 0.54 -1.93 0.02 0.00 -0.86 0.00 0.00 30.24 28.00 2kmd n GLN 71 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2kmd s TRP 72 N -2.25 2.83 0.17 2.61 0.52 -1.08 -4.92 118.94 116.81 2kmd s TRP 72 Ca 0.39 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 56.27 2kmd s TRP 72 Cb 0.31 -2.51 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2kmd s TRP 72 CO 0.09 -0.57 0.11 0.25 0.02 0.00 0.00 176.95 176.85 2kmd n THR 73 N -2.02 0.00 -0.26 2.01 -2.24 -1.26 -1.30 114.28 109.21 2kmd n THR 73 Ca 0.08 -1.14 0.13 0.00 -2.27 0.00 0.00 64.05 60.86 2kmd n THR 73 Cb 0.59 0.52 0.41 0.00 -2.10 0.00 0.00 70.33 69.75 2kmd n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kmd h GLU 74 N 0.00 0.61 0.17 -0.78 5.08 -1.85 0.15 114.58 117.95 2kmd h GLU 74 Ca -0.12 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2kmd h GLU 74 Cb 0.57 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2kmd h GLU 74 CO 0.19 0.40 -0.08 1.15 -1.00 0.00 0.00 179.01 179.66 2kmd h THR 75 N 0.62 0.95 -0.93 1.13 2.02 -1.96 -0.57 112.91 114.17 2kmd h THR 75 Ca 0.45 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2kmd h THR 75 Cb 0.82 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 2kmd h THR 75 CO -0.20 0.18 0.57 0.45 0.37 0.00 0.00 175.52 176.88 2kmd h HIS 76 N -0.64 1.22 0.19 3.16 3.86 -1.80 0.51 115.15 121.66 2kmd h HIS 76 Ca -0.02 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2kmd h HIS 76 Cb 0.47 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2kmd h HIS 76 CO 0.05 0.81 -0.09 0.28 0.86 0.00 0.00 177.93 179.84 2kmd h VAL 77 N 1.28 0.90 -0.12 2.45 2.07 -0.75 -0.59 116.25 121.50 2kmd h VAL 77 Ca 0.34 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2kmd h VAL 77 Cb -0.06 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2kmd h VAL 77 CO -0.06 0.11 -0.03 -0.09 0.02 0.00 0.00 177.57 177.52 2kmd h ARG 78 N -0.50 0.23 -0.43 1.57 1.12 -0.94 -1.75 114.38 113.68 2kmd h ARG 78 Ca -0.03 -0.09 -0.01 0.00 -1.11 0.00 0.00 59.98 58.74 2kmd h ARG 78 Cb 0.38 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 2kmd h ARG 78 CO 0.04 0.54 0.20 0.22 -3.11 0.00 0.00 179.97 177.86 2kmd h ASP 79 N -0.09 0.53 0.32 -3.80 1.82 -0.04 -1.31 116.42 113.85 2kmd h ASP 79 Ca 0.03 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 2kmd h ASP 79 Cb 0.45 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.33 2kmd h ASP 79 CO 0.01 0.46 -0.16 -0.25 -1.61 0.00 0.00 179.24 177.69 2kmd h TRP 80 N 0.60 -0.40 -0.92 0.28 7.01 -0.98 -1.44 115.95 120.10 2kmd h TRP 80 Ca 0.15 -0.01 0.26 0.00 2.11 0.00 0.00 58.89 61.40 2kmd h TRP 80 Cb 0.07 0.13 -0.16 0.00 -2.10 0.00 0.00 29.16 27.10 2kmd h TRP 80 CO 0.00 -0.25 0.14 -0.24 -2.79 0.00 0.00 178.44 175.30 2kmd h VAL 81 N -0.60 0.16 -0.25 2.65 3.04 -1.28 0.38 116.25 120.35 2kmd h VAL 81 Ca -0.04 -0.03 0.02 0.00 -1.01 0.00 0.00 66.70 65.63 2kmd h VAL 81 Cb 0.33 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.65 2kmd h VAL 81 CO 0.07 0.02 0.11 -0.03 -1.01 0.00 0.00 177.57 176.73 2kmd h MET 82 N 0.09 0.23 -0.90 4.17 1.85 -1.24 -1.08 114.93 118.04 2kmd h MET 82 Ca 0.58 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.68 2kmd h MET 82 Cb 1.21 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 33.14 2kmd h MET 82 CO -0.79 0.15 0.59 2.35 -0.40 0.00 0.00 176.91 178.82 2kmd h TRP 83 N 0.24 1.11 0.00 1.39 7.01 0.75 -0.97 115.95 125.48 2kmd h TRP 83 Ca 0.10 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 2kmd h TRP 83 Cb 0.05 -0.37 -0.00 0.00 -2.10 0.00 0.00 29.16 26.73 2kmd h TRP 83 CO -0.11 0.66 -0.05 0.00 -2.79 0.00 0.00 178.44 176.16 2kmd h ALA 84 N 1.46 1.01 0.06 2.65 0.00 -0.13 -0.77 119.26 123.54 2kmd h ALA 84 Ca 0.35 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.96 2kmd h ALA 84 Cb -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kmd h ALA 84 CO -0.10 0.06 -1.26 0.28 0.00 0.00 0.00 179.25 178.24 2kmd h VAL 85 N 0.00 1.44 0.16 0.00 2.07 0.06 -2.64 116.25 117.34 2kmd h VAL 85 Ca -0.00 -3.12 -0.31 0.00 0.82 0.00 0.00 66.70 64.09 2kmd h VAL 85 Cb 0.56 2.80 0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2kmd h VAL 85 CO 0.01 0.86 -1.45 0.78 0.02 0.00 0.00 177.57 177.79 2kmd h ASN 86 N 0.03 0.53 -0.07 0.57 2.35 -1.10 0.10 115.58 118.00 2kmd h ASN 86 Ca -0.12 -0.64 -0.20 0.00 -0.55 0.00 0.00 56.30 54.78 2kmd h ASN 86 Cb 1.90 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.10 2kmd h ASN 86 CO 0.15 1.52 -0.70 -0.33 -1.65 0.00 0.00 177.43 176.41 2kmd h GLU 87 N 0.09 0.70 -0.42 0.81 4.39 -1.27 -3.22 114.58 115.66 2kmd h GLU 87 Ca -0.22 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 58.94 2kmd h GLU 87 Cb 2.05 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 2kmd h GLU 87 CO 0.20 1.15 0.00 1.19 -1.16 0.00 0.00 179.01 180.40 2kmd n PHE 88 N -3.93 0.55 -3.96 4.33 3.01 -0.99 -4.99 117.46 111.47 2kmd n PHE 88 Ca -0.06 -0.32 -0.35 0.00 1.01 0.00 0.00 57.45 57.73 2kmd n PHE 88 Cb 0.70 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 2kmd n PHE 88 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2kmd n SER 89 N 1.32 -2.95 -4.73 4.37 7.64 -0.03 -4.95 113.62 114.29 2kmd n SER 89 Ca 0.18 -1.15 -0.26 0.00 1.01 0.00 0.00 58.87 58.65 2kmd n SER 89 Cb 0.56 -2.48 0.10 0.00 -1.01 0.00 0.00 64.21 61.38 2kmd n SER 89 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kmd s LEU 90 N -7.05 2.81 0.03 -3.43 1.43 0.15 -5.01 118.68 107.60 2kmd s LEU 90 Ca 0.31 0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 53.48 2kmd s LEU 90 Cb -0.14 -2.78 0.05 0.00 0.03 0.00 0.00 46.19 43.35 2kmd s LEU 90 CO 0.92 -1.87 0.53 -1.59 0.23 0.00 0.00 176.35 174.57 2kmd s LYS 91 N -5.37 1.01 0.00 1.70 0.00 -1.26 -4.92 119.74 110.90 2kmd s LYS 91 Ca 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.46 2kmd s LYS 91 Cb -0.09 0.46 0.00 0.00 0.00 0.00 0.00 37.83 38.21 2kmd s LYS 91 CO 0.46 -0.35 0.00 0.41 0.00 0.00 0.00 175.35 175.87 2kmd n GLY 92 N 0.56 1.81 3.72 0.59 0.00 -1.26 -4.80 105.19 105.80 2kmd n GLY 92 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2kmd n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmd s VAL 93 N -2.92 4.39 -0.13 1.61 0.11 -1.26 -4.40 120.40 117.80 2kmd s VAL 93 Ca 0.00 1.86 -0.06 0.00 -2.93 0.00 0.00 61.98 60.85 2kmd s VAL 93 Cb 0.00 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.62 2kmd s VAL 93 CO 0.00 0.22 0.09 -0.62 -3.33 0.00 0.00 175.10 171.46 2kmd s ASP 94 N 0.48 5.91 0.14 3.54 2.15 -1.26 -5.00 116.67 122.63 2kmd s ASP 94 Ca 0.51 0.27 0.19 0.00 0.43 0.00 0.00 52.55 53.95 2kmd s ASP 94 Cb -0.25 -1.90 -0.06 0.00 -0.30 0.00 0.00 42.92 40.41 2kmd s ASP 94 CO 0.30 0.32 0.96 -0.26 -0.17 0.00 0.00 175.17 176.33 2kmd h PHE 95 N 5.61 0.00 -0.11 -5.34 0.04 -1.96 -3.32 116.94 111.86 2kmd h PHE 95 Ca -0.48 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.25 2kmd h PHE 95 Cb 1.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.34 2kmd h PHE 95 CO 0.66 0.35 -0.12 1.96 -0.60 0.00 0.00 178.31 180.55 2kmd h GLN 96 N 0.00 0.17 -0.27 1.51 4.20 -1.98 -2.13 115.11 116.62 2kmd h GLN 96 Ca -0.09 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 2kmd h GLN 96 Cb 1.34 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 2kmd h GLN 96 CO 0.03 0.30 -0.30 0.87 -0.67 0.00 0.00 178.83 179.07 2kmd h LYS 97 N 0.16 0.55 -0.99 1.46 1.79 -1.88 -3.01 116.57 114.65 2kmd h LYS 97 Ca 0.03 -0.23 -0.59 0.00 -2.18 0.00 0.00 60.65 57.68 2kmd h LYS 97 Cb 0.32 -0.02 -0.30 0.00 -1.58 0.00 0.00 32.23 30.65 2kmd h LYS 97 CO 0.02 0.79 0.75 1.19 -1.08 0.00 0.00 179.45 181.12 2kmd n PHE 98 N -4.09 3.14 -2.34 -1.35 3.72 -0.82 -4.79 117.46 110.92 2kmd n PHE 98 Ca -0.01 -2.39 -0.42 0.00 -0.05 0.00 0.00 57.45 54.58 2kmd n PHE 98 Cb 0.45 -1.18 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 2kmd n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kmd s MET 100 N -0.03 1.77 0.75 0.00 0.23 -1.26 -5.01 119.30 115.75 2kmd s MET 100 Ca 0.40 -1.11 -0.11 0.00 -1.03 0.00 0.00 55.69 53.85 2kmd s MET 100 Cb 0.10 0.57 0.04 0.00 -1.53 0.00 0.00 34.83 34.02 2kmd s MET 100 CO 0.00 -0.80 1.08 0.45 -2.03 0.00 0.00 175.02 173.72 2kmd s SER 101 N -2.96 4.80 0.14 -1.18 0.15 -1.26 -3.01 113.70 110.37 2kmd s SER 101 Ca 0.15 1.70 -0.18 0.00 0.70 0.00 0.00 55.95 58.31 2kmd s SER 101 Cb -0.05 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 2kmd s SER 101 CO 0.08 -1.83 1.74 1.23 1.20 0.00 0.00 173.24 175.66 2kmd h GLY 102 N -0.99 0.32 0.22 9.45 0.00 -1.35 -1.54 103.07 109.19 2kmd h GLY 102 Ca -0.44 -0.03 0.19 0.00 0.00 0.00 0.00 47.33 47.05 2kmd h GLY 102 CO 0.54 0.00 0.61 0.00 0.00 0.00 0.00 176.54 177.69 2kmd h ALA 103 N 1.19 1.93 -0.15 3.60 0.00 -1.58 -0.42 119.26 123.83 2kmd h ALA 103 Ca 0.13 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2kmd h ALA 103 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kmd h ALA 103 CO -0.16 -0.26 -0.19 0.00 0.00 0.00 0.00 179.25 178.64 2kmd h ALA 104 N 1.62 0.22 -0.61 0.00 0.00 -1.72 -2.27 119.26 116.50 2kmd h ALA 104 Ca 0.52 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2kmd h ALA 104 Cb 1.02 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2kmd h ALA 104 CO -0.27 0.15 0.33 1.25 0.00 0.00 0.00 179.25 180.70 2kmd h LEU 105 N 0.01 0.47 -0.64 0.00 5.85 -0.23 -0.67 115.31 120.11 2kmd h LEU 105 Ca 0.02 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 2kmd h LEU 105 Cb 0.75 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2kmd h LEU 105 CO 0.05 0.31 -0.04 0.00 -0.34 0.00 0.00 178.44 178.41 2kmd h ALA 107 N 1.01 1.52 -0.78 0.00 0.00 -0.77 -2.78 119.26 117.47 2kmd h ALA 107 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kmd h ALA 107 Cb 0.60 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2kmd h ALA 107 CO 0.04 0.34 0.49 -0.07 0.00 0.00 0.00 179.25 180.05 2kmd h LEU 108 N 0.21 0.91 0.00 0.00 3.38 -0.90 -3.49 115.31 115.43 2kmd h LEU 108 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kmd h LEU 108 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2kmd h LEU 108 CO 0.02 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2kmd n GLY 109 N -1.34 -1.34 0.23 0.83 0.00 -1.05 -3.67 105.19 98.85 2kmd n GLY 109 Ca 0.08 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 2kmd n GLY 109 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kmd h LYS 110 N 0.00 -0.51 -0.47 1.61 3.64 -1.92 -0.82 116.57 118.10 2kmd h LYS 110 Ca 0.00 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2kmd h LYS 110 Cb 0.00 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 31.84 2kmd h LYS 110 CO 0.00 -0.34 -0.22 1.05 -2.27 0.00 0.00 179.45 177.68 2kmd h GLU 111 N -0.53 -0.11 -0.44 1.90 4.11 -1.99 0.38 114.58 117.91 2kmd h GLU 111 Ca -0.05 0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.29 2kmd h GLU 111 Cb 0.41 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2kmd h GLU 111 CO 0.08 -0.07 -0.12 0.00 0.07 0.00 0.00 179.01 178.97 2kmd h PHE 113 N 0.68 0.63 0.00 0.00 3.04 -0.35 -2.28 116.94 118.66 2kmd h PHE 113 Ca 0.11 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.99 2kmd h PHE 113 Cb 0.66 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2kmd h PHE 113 CO 0.05 0.52 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.61 2kmd h LEU 114 N 0.56 0.00 -0.91 0.59 4.07 -0.23 -1.24 115.31 118.14 2kmd h LEU 114 Ca 0.15 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.06 2kmd h LEU 114 Cb 0.13 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2kmd h LEU 114 CO -0.02 0.18 -0.24 -0.33 -1.08 0.00 0.00 178.44 176.95 2kmd h GLU 115 N 0.00 0.00 0.10 1.13 4.39 -0.91 -3.18 114.58 116.11 2kmd h GLU 115 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2kmd h GLU 115 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2kmd h GLU 115 CO 0.02 0.24 -1.43 -0.07 -1.16 0.00 0.00 179.01 176.62 2kmd h LEU 116 N 0.00 0.34 -9.89 1.33 3.38 -0.77 -3.47 115.31 106.23 2kmd h LEU 116 Ca -0.00 -0.44 -0.52 0.00 0.09 0.00 0.00 57.88 57.00 2kmd h LEU 116 Cb 0.84 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2kmd h LEU 116 CO 0.03 1.36 -0.53 0.00 0.09 0.00 0.00 178.44 179.40 2kmd s ALA 117 N -2.63 3.63 1.31 1.53 0.00 -0.83 -4.51 121.76 120.26 2kmd s ALA 117 Ca -0.07 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 2kmd s ALA 117 Cb 0.07 -1.38 0.31 0.00 0.00 0.00 0.00 23.12 22.12 2kmd s ALA 117 CO 0.86 0.35 0.74 -0.35 0.00 0.00 0.00 175.76 177.35 2kmd n PRO 118 N -0.90 -3.73 0.15 0.00 -0.04 -1.26 -4.60 135.00 124.62 2kmd n PRO 118 Ca -0.08 -1.10 0.11 0.00 -0.04 0.00 0.00 63.50 62.40 2kmd n PRO 118 Cb 0.57 -1.87 0.54 0.00 -0.04 0.00 0.00 33.50 32.70 2kmd n PRO 118 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kmd n ASP 119 N -4.52 0.62 -0.03 3.54 8.00 -1.26 -2.60 116.55 120.30 2kmd n ASP 119 Ca 0.09 0.72 -0.06 0.00 0.71 0.00 0.00 54.79 56.25 2kmd n ASP 119 Cb 0.54 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2kmd n ASP 119 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2kmd n PHE 120 N -2.26 0.00 0.07 1.24 3.72 -1.26 -4.69 117.46 114.28 2kmd n PHE 120 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 2kmd n PHE 120 Cb 0.13 -0.30 0.53 0.00 -0.94 0.00 0.00 39.48 38.90 2kmd n PHE 120 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 2kmd h VAL 121 N -0.54 1.00 -0.78 -4.37 -1.51 -1.87 -2.17 116.25 106.00 2kmd h VAL 121 Ca -0.04 -0.10 0.18 0.00 -1.23 0.00 0.00 66.70 65.51 2kmd h VAL 121 Cb 0.62 0.67 -0.05 0.00 -2.13 0.00 0.00 31.29 30.40 2kmd h VAL 121 CO -0.02 0.05 0.53 1.23 -1.23 0.00 0.00 177.57 178.13 2kmd h GLY 122 N 0.30 0.59 0.66 5.19 0.00 -1.75 -0.43 103.07 107.64 2kmd h GLY 122 Ca 0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2kmd h GLY 122 CO -0.03 0.03 -0.35 -0.55 0.00 0.00 0.00 176.54 175.64 2kmd h ASP 123 N 0.32 0.39 0.78 0.19 3.32 -1.65 -2.94 116.42 116.83 2kmd h ASP 123 Ca 0.39 -0.69 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 2kmd h ASP 123 Cb 1.05 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.49 2kmd h ASP 123 CO -0.11 1.02 -0.37 0.40 -1.72 0.00 0.00 179.24 178.45 2kmd h ILE 124 N -0.20 0.00 -0.17 0.35 2.04 -1.39 -0.61 117.51 117.51 2kmd h ILE 124 Ca -0.03 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.71 2kmd h ILE 124 Cb 1.03 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 2kmd h ILE 124 CO 0.07 0.00 -0.41 -0.07 0.00 0.00 0.00 178.15 177.74 2kmd h LEU 125 N -1.21 -1.30 -1.26 1.44 3.38 -1.27 -1.33 115.31 113.76 2kmd h LEU 125 Ca -0.11 0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2kmd h LEU 125 Cb 0.80 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2kmd h LEU 125 CO 0.18 -0.41 0.01 -0.25 0.09 0.00 0.00 178.44 178.06 2kmd h TRP 126 N -0.45 0.52 0.26 1.13 7.01 -1.61 0.40 115.95 123.22 2kmd h TRP 126 Ca 0.09 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2kmd h TRP 126 Cb 0.61 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 2kmd h TRP 126 CO -0.50 0.51 -0.30 1.49 -2.79 0.00 0.00 178.44 176.85 2kmd h GLU 127 N 0.49 -0.59 -0.04 2.65 4.81 -0.05 -0.12 114.58 121.73 2kmd h GLU 127 Ca 0.11 0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 2kmd h GLU 127 Cb 0.30 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kmd h GLU 127 CO 0.01 -0.39 -0.55 1.25 -0.73 0.00 0.00 179.01 178.59 2kmd h HIS 128 N -0.61 0.15 -0.46 0.92 2.76 -1.11 -2.87 115.15 113.93 2kmd h HIS 128 Ca -0.00 -0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2kmd h HIS 128 Cb 0.57 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 2kmd h HIS 128 CO -0.20 0.65 0.24 1.25 -1.30 0.00 0.00 177.93 178.57 2kmd h LEU 129 N 0.09 0.36 -0.82 0.26 5.85 0.29 -1.30 115.31 120.05 2kmd h LEU 129 Ca -0.00 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 2kmd h LEU 129 Cb 1.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2kmd h LEU 129 CO 0.08 0.26 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.61 2kmd h GLU 130 N 0.48 0.22 -0.89 1.25 4.39 -1.00 -2.97 114.58 116.07 2kmd h GLU 130 Ca 0.20 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2kmd h GLU 130 Cb 0.08 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2kmd h GLU 130 CO -0.12 0.67 0.53 0.82 -1.16 0.00 0.00 179.01 179.75 2kmd h ILE 131 N 0.18 1.25 -0.35 3.13 2.04 -1.14 -1.78 117.51 120.84 2kmd h ILE 131 Ca 0.01 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2kmd h ILE 131 Cb 0.95 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2kmd h ILE 131 CO 0.08 0.26 0.19 -0.07 0.00 0.00 0.00 178.15 178.61 2kmd h LEU 132 N 1.24 0.42 0.53 1.44 3.38 -1.10 0.18 115.31 121.39 2kmd h LEU 132 Ca 0.32 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2kmd h LEU 132 Cb -0.04 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.61 2kmd h LEU 132 CO -0.06 0.34 -0.26 1.56 0.09 0.00 0.00 178.44 180.12 2kmd h GLN 133 N 0.48 -0.69 -0.19 1.13 4.20 -1.34 -0.74 115.11 117.96 2kmd h GLN 133 Ca 0.12 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2kmd h GLN 133 Cb 0.02 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2kmd h GLN 133 CO -0.02 -0.38 -0.15 1.57 -0.67 0.00 0.00 178.83 179.18 2kmd h LYS 134 N -1.01 0.31 -0.22 1.46 5.09 -1.35 -2.90 116.57 117.95 2kmd h LYS 134 Ca -0.07 -0.08 -0.18 0.00 0.09 0.00 0.00 60.65 60.41 2kmd h LYS 134 Cb 0.62 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.92 2kmd h LYS 134 CO 0.12 0.46 -0.59 1.49 -2.09 0.00 0.00 179.45 178.85 2kmd h GLU 135 N 0.29 0.70 -2.02 0.07 4.81 -0.65 -3.43 114.58 114.35 2kmd h GLU 135 Ca 0.05 -0.46 -0.13 0.00 -0.13 0.00 0.00 59.36 58.69 2kmd h GLU 135 Cb 0.44 0.06 -0.29 0.00 0.63 0.00 0.00 28.75 29.60 2kmd h GLU 135 CO 0.03 1.09 -0.45 0.34 -0.73 0.00 0.00 179.01 179.29 2kmd s ASP 136 N -6.96 0.06 0.01 1.04 2.15 -0.29 -5.02 116.67 107.66 2kmd s ASP 136 Ca -0.09 0.44 0.15 0.00 0.43 0.00 0.00 52.55 53.49 2kmd s ASP 136 Cb 0.10 1.21 -0.18 0.00 -0.30 0.00 0.00 42.92 43.76 2kmd s ASP 136 CO 0.87 -0.28 0.74 1.33 -0.17 0.00 0.00 175.17 177.66 2kmd n VAL 137 N 5.37 1.37 1.98 1.11 0.24 -1.18 -4.05 118.33 123.17 2kmd n VAL 137 Ca -0.05 -0.74 0.16 0.00 -2.04 0.00 0.00 64.34 61.67 2kmd n VAL 137 Cb 0.50 -0.86 0.94 0.00 -1.47 0.00 0.00 33.84 32.95 2kmd n VAL 137 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86