#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsy h ILE 2021N 0.00 1.28 -0.16 1.69 2.04 -2.00 -3.11 117.51 117.26 1vsy h ILE 2021Ca 0.00 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.43 1vsy h ILE 2021Cb 0.00 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1vsy h ILE 2021CO 0.00 0.43 -0.14 0.44 0.00 0.00 0.00 178.15 178.88 1vsy h ASP 2022N 0.35 0.24 0.94 1.72 3.32 -2.01 -2.12 116.42 118.85 1vsy h ASP 2022Ca 0.04 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1vsy h ASP 2022Cb 0.74 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1vsy h ASP 2022CO 0.06 0.40 -0.55 1.88 -1.72 0.00 0.00 179.24 179.31 1vsy h TYR 2023N 0.24 0.00 -0.02 4.55 0.05 -1.99 -3.09 116.97 116.71 1vsy h TYR 2023Ca 0.05 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.65 1vsy h TYR 2023Cb 0.39 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.15 1vsy h TYR 2023CO 0.01 0.55 -0.70 0.00 -1.05 0.00 0.00 178.16 176.97 1vsy h ALA 2024N 1.45 0.11 -0.12 3.88 0.00 -1.41 -2.67 119.26 120.50 1vsy h ALA 2024Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1vsy h ALA 2024Cb 1.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1vsy h ALA 2024CO 0.07 0.45 0.27 -0.07 0.00 0.00 0.00 179.25 179.97 1vsy h LEU 2025N 0.07 0.00 0.08 0.00 3.38 -1.42 -0.90 115.31 116.52 1vsy h LEU 2025Ca -0.08 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.61 1vsy h LEU 2025Cb 1.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.15 1vsy h LEU 2025CO 0.14 0.00 -1.21 0.74 0.09 0.00 0.00 178.44 178.20 1vsy h THR 2026N 0.00 1.41 -0.08 0.22 2.02 -1.39 -1.17 112.91 113.93 1vsy h THR 2026Ca 0.06 -2.78 -0.07 0.00 0.77 0.00 0.00 66.41 64.39 1vsy h THR 2026Cb 0.60 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1vsy h THR 2026CO -0.00 0.82 -0.27 0.00 0.37 0.00 0.00 175.52 176.44 1vsy h ALA 2027N 0.51 1.41 -0.37 6.16 0.00 -1.00 -2.64 119.26 123.33 1vsy h ALA 2027Ca -0.15 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1vsy h ALA 2027Cb 1.90 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1vsy h ALA 2027CO 0.21 0.42 -0.26 0.28 0.00 0.00 0.00 179.25 179.90 1vsy h VAL 2028N 0.12 1.28 -0.74 0.00 2.07 -1.30 -3.25 116.25 114.44 1vsy h VAL 2028Ca 0.02 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.17 1vsy h VAL 2028Cb 0.55 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1vsy h VAL 2028CO 0.04 0.47 0.48 0.11 0.02 0.00 0.00 177.57 178.69 1vsy h LYS 2029N 0.64 0.81 -6.90 1.57 1.79 -0.85 -3.34 116.57 110.29 1vsy h LYS 2029Ca 0.07 -0.05 -0.45 0.00 -2.18 0.00 0.00 60.65 58.04 1vsy h LYS 2029Cb 0.83 -0.18 0.06 0.00 -1.58 0.00 0.00 32.23 31.35 1vsy h LYS 2029CO 0.07 0.53 0.00 1.14 -1.08 0.00 0.00 179.45 180.12 1vsy s GLN 2030N -5.73 2.21 0.00 3.15 -2.07 -1.11 -2.01 119.66 114.11 1vsy s GLN 2030Ca -0.10 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 52.43 1vsy s GLN 2030Cb 0.19 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.65 1vsy s GLN 2030CO 0.78 -0.98 0.00 0.41 -1.32 0.00 0.00 175.29 174.17 1vsy n GLY 2031N -2.49 -0.08 3.70 2.60 0.00 -1.26 -4.35 105.19 103.30 1vsy n GLY 2031Ca 0.11 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 1vsy n GLY 2031CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vsy n VAL 2032N 0.50 1.34 -1.70 1.61 0.31 -1.26 -3.44 118.33 115.69 1vsy n VAL 2032Ca 0.00 -0.34 -0.43 0.00 -0.01 0.00 0.00 64.34 63.57 1vsy n VAL 2032Cb 0.00 -1.64 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 1vsy n VAL 2032CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1vsy n THR 2033N 1.40 1.94 -3.85 2.52 -1.04 -1.26 -4.46 114.28 109.54 1vsy n THR 2033Ca 0.08 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.05 61.51 1vsy n THR 2033Cb 0.34 -1.58 -0.07 0.00 -1.82 0.00 0.00 70.33 67.20 1vsy n THR 2033CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1vsy s SER 2034N -0.27 0.09 0.30 8.00 1.04 -0.76 -3.71 113.70 118.39 1vsy s SER 2034Ca 0.56 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 56.36 1vsy s SER 2034Cb -0.57 0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1vsy s SER 2034CO 0.62 -0.69 0.47 -1.48 0.98 0.00 0.00 173.24 173.14 1vsy s LEU 2035N -2.67 0.73 -0.19 2.42 0.05 -0.41 -1.15 118.68 117.47 1vsy s LEU 2035Ca 0.02 -1.27 -0.25 0.00 0.05 0.00 0.00 54.13 52.67 1vsy s LEU 2035Cb 0.03 1.57 0.07 0.00 -2.05 0.00 0.00 46.19 45.81 1vsy s LEU 2035CO -0.09 -1.24 0.67 -0.83 -0.55 0.00 0.00 176.35 174.31 1vsy s GLY 2036N -3.15 -0.52 -0.05 -3.48 0.00 -0.50 -2.60 107.32 97.02 1vsy s GLY 2036Ca 0.28 1.70 -0.02 0.00 0.00 0.00 0.00 44.72 46.68 1vsy s GLY 2036CO 0.15 1.41 0.03 -0.42 0.00 0.00 0.00 173.10 174.28 1vsy s ILE 2037N -0.14 0.08 0.20 0.90 1.01 0.05 -1.87 121.20 121.44 1vsy s ILE 2037Ca -0.04 0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 1vsy s ILE 2037Cb -0.03 -0.29 -0.08 0.00 0.01 0.00 0.00 42.46 42.07 1vsy s ILE 2037CO 0.04 0.20 0.67 -0.75 0.00 0.00 0.00 174.94 175.10 1vsy s LYS 2038N 1.99 4.14 0.00 2.79 2.20 -0.11 -1.15 119.74 129.60 1vsy s LYS 2038Ca 0.04 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1vsy s LYS 2038Cb -0.12 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1vsy s LYS 2038CO -0.04 0.40 0.00 0.00 -0.36 0.00 0.00 175.35 175.36 1vsy n ALA 2039N 0.67 0.00 0.10 3.13 0.00 0.35 -4.90 120.51 119.86 1vsy n ALA 2039Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1vsy n ALA 2039Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 1vsy n ALA 2039CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1vsy h THR 2040N 0.23 1.17 -0.70 0.00 1.35 -1.56 -3.39 112.91 110.01 1vsy h THR 2040Ca 0.00 -2.69 -0.47 0.00 -0.55 0.00 0.00 66.41 62.70 1vsy h THR 2040Cb 0.00 2.89 -0.42 0.00 -1.73 0.00 0.00 68.15 68.89 1vsy h THR 2040CO 0.00 0.84 -0.90 -0.46 -0.25 0.00 0.00 175.52 174.75 1vsy n ASN 2041N -3.61 4.03 0.00 5.36 6.94 -1.26 -4.97 115.26 121.75 1vsy n ASN 2041Ca -0.19 -3.30 0.00 0.00 -0.02 0.00 0.00 54.58 51.07 1vsy n ASN 2041Cb 1.08 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 38.12 1vsy n ASN 2041CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vsy n GLY 2042N -0.66 2.66 3.31 4.83 0.00 -1.26 -4.60 105.19 109.46 1vsy n GLY 2042Ca 0.34 -1.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 1vsy n GLY 2042CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsy s VAL 2043N -2.00 1.62 -0.01 1.61 1.01 -1.00 -0.49 120.40 121.13 1vsy s VAL 2043Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.03 1vsy s VAL 2043Cb 0.00 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1vsy s VAL 2043CO 0.00 -0.45 0.00 0.54 0.00 0.00 0.00 175.10 175.19 1vsy s VAL 2044N -2.42 0.06 -0.00 2.92 0.11 -0.30 -0.57 120.40 120.19 1vsy s VAL 2044Ca 0.16 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 1vsy s VAL 2044Cb -0.04 -0.10 -0.00 0.00 -1.53 0.00 0.00 36.38 34.71 1vsy s VAL 2044CO 0.05 0.05 -0.06 0.27 -3.33 0.00 0.00 175.10 172.09 1vsy s ILE 2045N 0.38 0.44 0.06 7.04 -4.36 -0.95 -0.77 121.20 123.03 1vsy s ILE 2045Ca -0.03 -0.24 -0.17 0.00 -0.26 0.00 0.00 60.65 59.96 1vsy s ILE 2045Cb -0.05 -0.37 0.03 0.00 1.25 0.00 0.00 42.46 43.32 1vsy s ILE 2045CO -0.01 0.12 0.38 0.00 0.24 0.00 0.00 174.94 175.68 1vsy s ALA 2046N -0.13 -0.90 0.31 2.27 0.00 -1.07 -1.38 121.76 120.87 1vsy s ALA 2046Ca 0.02 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 1vsy s ALA 2046Cb -0.02 0.40 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 1vsy s ALA 2046CO -0.00 -0.48 0.43 -0.08 0.00 0.00 0.00 175.76 175.63 1vsy s THR 2047N -2.73 0.00 0.09 0.00 -1.32 -1.01 -1.29 115.64 109.38 1vsy s THR 2047Ca -0.04 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 1vsy s THR 2047Cb -0.00 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 1vsy s THR 2047CO -0.04 0.00 0.24 -0.70 -2.21 0.00 0.00 174.62 171.90 1vsy s GLU 2048N -3.33 3.45 -0.91 7.08 2.12 -1.24 -2.05 118.70 123.81 1vsy s GLU 2048Ca 0.31 -0.47 -0.10 0.00 0.36 0.00 0.00 54.97 55.07 1vsy s GLU 2048Cb 0.00 -3.01 0.23 0.00 0.26 0.00 0.00 34.13 31.62 1vsy s GLU 2048CO 0.18 0.58 0.86 0.15 -0.54 0.00 0.00 175.26 176.49 1vsy s LYS 2049N -2.71 3.68 -0.15 4.30 1.02 -0.57 -4.89 119.74 120.43 1vsy s LYS 2049Ca 0.35 -2.81 -0.29 0.00 0.02 0.00 0.00 55.97 53.23 1vsy s LYS 2049Cb -0.12 -4.36 -0.02 0.00 -0.52 0.00 0.00 37.83 32.81 1vsy s LYS 2049CO 0.28 -1.26 1.35 0.21 -0.92 0.00 0.00 175.35 175.01 1vsy s LYS 2050N -0.50 4.20 -0.31 1.68 2.20 -1.26 -4.72 119.74 121.03 1vsy s LYS 2050Ca 0.23 1.75 -0.28 0.00 -0.36 0.00 0.00 55.97 57.31 1vsy s LYS 2050Cb -0.11 -3.82 0.01 0.00 -1.51 0.00 0.00 37.83 32.41 1vsy s LYS 2050CO -0.08 -0.77 1.04 0.45 -0.36 0.00 0.00 175.35 175.63 1vsy s SER 2051N 2.34 6.93 0.00 1.43 0.15 -1.26 -4.87 113.70 118.42 1vsy s SER 2051Ca 0.59 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1vsy s SER 2051Cb -0.24 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1vsy s SER 2051CO 0.18 -0.82 0.29 -1.54 1.20 0.00 0.00 173.24 172.55 1vsy n SER 2052N 6.72 0.08 0.00 5.45 3.41 -1.26 -4.71 113.62 123.32 1vsy n SER 2052Ca 0.11 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1vsy n SER 2052Cb 0.47 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1vsy n SER 2052CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1vsy n SER 2053N -0.30 0.00 0.12 4.04 2.88 -1.26 -4.97 113.62 114.12 1vsy n SER 2053Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1vsy n SER 2053Cb 0.02 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.49 1vsy n SER 2053CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1vsy h PRO 2054N 0.00 0.00 -0.49 -1.46 0.11 -2.03 -3.31 132.00 124.82 1vsy h PRO 2054Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 1vsy h PRO 2054Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1vsy h PRO 2054CO 0.00 0.27 0.03 -0.07 -0.21 0.00 0.00 178.00 178.02 1vsy h LEU 2055N 0.00 0.75 -9.89 2.35 3.38 -1.98 -3.43 115.31 106.49 1vsy h LEU 2055Ca -0.05 -0.17 -0.52 0.00 0.09 0.00 0.00 57.88 57.23 1vsy h LEU 2055Cb 1.31 -0.20 0.06 0.00 0.09 0.00 0.00 40.66 41.92 1vsy h LEU 2055CO 0.04 0.80 0.60 0.00 0.09 0.00 0.00 178.44 179.97 1vsy s ALA 2056N -5.03 3.42 -0.43 1.53 0.00 -1.25 -4.99 121.76 115.00 1vsy s ALA 2056Ca -0.09 1.19 -0.21 0.00 0.00 0.00 0.00 51.96 52.85 1vsy s ALA 2056Cb 0.15 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1vsy s ALA 2056CO 0.81 -0.60 0.63 -1.64 0.00 0.00 0.00 175.76 174.96 1vsy s MET 2057N -1.87 3.29 0.00 0.00 -1.94 -1.26 -4.93 119.30 112.58 1vsy s MET 2057Ca 0.50 -0.37 0.18 0.00 -1.71 0.00 0.00 55.69 54.30 1vsy s MET 2057Cb -0.38 -3.95 0.82 0.00 2.01 0.00 0.00 34.83 33.34 1vsy s MET 2057CO 0.50 -0.99 1.59 -1.13 -0.01 0.00 0.00 175.02 174.97 1vsy n SER 2058N 6.22 0.00 0.03 3.03 3.41 -1.26 -2.37 113.62 122.68 1vsy n SER 2058Ca -0.02 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.09 1vsy n SER 2058Cb 0.48 -0.45 0.48 0.00 -0.26 0.00 0.00 64.21 64.46 1vsy n SER 2058CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1vsy n GLU 2059N -1.45 0.07 0.00 4.33 0.00 -1.26 -3.17 120.64 119.16 1vsy n GLU 2059Ca 0.05 0.15 0.14 0.00 0.00 0.00 0.00 57.16 57.51 1vsy n GLU 2059Cb 0.20 -1.59 0.63 0.00 0.00 0.00 0.00 31.44 30.68 1vsy n GLU 2059CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1vsy n THR 2060N -1.71 0.00 -4.57 3.84 -2.24 -1.00 -4.74 114.28 103.86 1vsy n THR 2060Ca 0.05 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.52 1vsy n THR 2060Cb 0.30 -0.08 -0.16 0.00 -2.10 0.00 0.00 70.33 68.29 1vsy n THR 2060CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1vsy s LEU 2061N -2.39 1.71 -0.25 3.22 2.96 -1.19 -5.12 118.68 117.62 1vsy s LEU 2061Ca 0.31 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1vsy s LEU 2061Cb 0.20 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 46.14 1vsy s LEU 2061CO 0.45 0.06 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.94 1vsy s SER 2062N 0.46 4.32 0.28 3.68 0.15 -1.26 -4.96 113.70 116.38 1vsy s SER 2062Ca -0.10 -0.82 0.24 0.00 0.70 0.00 0.00 55.95 55.97 1vsy s SER 2062Cb -0.13 -1.68 0.37 0.00 -1.71 0.00 0.00 66.02 62.87 1vsy s SER 2062CO 0.03 -0.12 1.47 0.11 1.20 0.00 0.00 173.24 175.93 1vsy h LYS 2063N 8.03 0.00 -4.69 5.44 1.57 -1.95 -3.42 116.57 121.54 1vsy h LYS 2063Ca -0.34 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.76 1vsy h LYS 2063Cb 1.11 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.10 1vsy h LYS 2063CO 0.58 0.00 -0.65 0.08 -0.57 0.00 0.00 179.45 178.89 1vsy s VAL 2064N -3.21 3.17 0.04 0.50 1.01 -1.26 -4.13 120.40 116.52 1vsy s VAL 2064Ca 0.06 -1.50 0.06 0.00 0.00 0.00 0.00 61.98 60.60 1vsy s VAL 2064Cb 0.09 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1vsy s VAL 2064CO 0.69 -0.25 -0.14 -0.44 0.00 0.00 0.00 175.10 174.96 1vsy s SER 2065N 1.39 4.10 0.05 3.32 0.01 -0.69 -4.94 113.70 116.94 1vsy s SER 2065Ca -0.02 -0.35 -0.27 0.00 1.31 0.00 0.00 55.95 56.63 1vsy s SER 2065Cb -0.20 -0.76 -0.05 0.00 0.21 0.00 0.00 66.02 65.21 1vsy s SER 2065CO -0.01 0.25 0.84 -0.22 0.41 0.00 0.00 173.24 174.51 1vsy s LEU 2066N -1.56 4.44 -0.21 2.44 0.20 -1.26 -1.42 118.68 121.32 1vsy s LEU 2066Ca 0.16 1.55 -0.13 0.00 0.69 0.00 0.00 54.13 56.40 1vsy s LEU 2066Cb -0.11 -3.36 -0.09 0.00 -0.43 0.00 0.00 46.19 42.20 1vsy s LEU 2066CO 0.07 -0.06 -0.30 0.18 -0.29 0.00 0.00 176.35 175.96 1vsy n LEU 2067N 3.03 1.70 -4.28 -0.68 4.77 0.44 -4.96 117.00 117.02 1vsy n LEU 2067Ca 0.00 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1vsy n LEU 2067Cb 0.50 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1vsy n LEU 2067CO 0.49 0.23 -0.32 0.42 -1.33 0.00 0.00 177.39 176.88 1vsy s THR 2068N -2.53 0.83 -2.00 -5.08 -4.23 -0.82 -4.75 115.64 97.05 1vsy s THR 2068Ca -0.30 -2.01 0.11 0.00 -1.18 0.00 0.00 61.69 58.31 1vsy s THR 2068Cb 0.10 -2.25 0.30 0.00 1.34 0.00 0.00 72.50 71.99 1vsy s THR 2068CO 0.40 -0.37 1.06 -2.65 -0.54 0.00 0.00 174.62 172.51 1vsy n PRO 2069N -0.33 0.40 0.00 3.99 -0.02 -1.26 -0.55 135.00 137.23 1vsy n PRO 2069Ca -0.05 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.45 1vsy n PRO 2069Cb 0.64 -1.41 0.01 0.00 -0.02 0.00 0.00 33.50 32.71 1vsy n PRO 2069CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vsy n ASP 2070N -0.91 1.13 -3.72 2.55 8.00 -1.26 -0.54 116.55 121.80 1vsy n ASP 2070Ca 0.08 -1.07 -0.15 0.00 0.71 0.00 0.00 54.79 54.36 1vsy n ASP 2070Cb 0.04 0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 41.21 1vsy n ASP 2070CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vsy s ILE 2071N -0.63 -0.13 0.43 0.53 1.01 0.29 -1.67 121.20 121.03 1vsy s ILE 2071Ca 0.05 0.26 0.05 0.00 0.00 0.00 0.00 60.65 61.01 1vsy s ILE 2071Cb 0.04 -0.23 -0.06 0.00 0.01 0.00 0.00 42.46 42.22 1vsy s ILE 2071CO 0.09 0.11 0.02 -0.83 0.00 0.00 0.00 174.94 174.33 1vsy s GLY 2072N 1.62 2.61 -0.00 6.18 0.00 -0.09 -0.42 107.32 117.22 1vsy s GLY 2072Ca -0.04 -1.67 -0.16 0.00 0.00 0.00 0.00 44.72 42.85 1vsy s GLY 2072CO -0.05 -2.08 0.34 0.00 0.00 0.00 0.00 173.10 171.31 1vsy s ALA 2073N -2.85 -0.85 0.12 3.20 0.00 -0.51 -1.07 121.76 119.80 1vsy s ALA 2073Ca 0.26 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1vsy s ALA 2073Cb 0.07 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1vsy s ALA 2073CO 0.13 -0.31 0.01 0.54 0.00 0.00 0.00 175.76 176.14 1vsy s VAL 2074N -1.60 0.34 0.30 0.00 0.11 -0.13 -1.71 120.40 117.72 1vsy s VAL 2074Ca -0.11 -1.91 0.03 0.00 -2.93 0.00 0.00 61.98 57.06 1vsy s VAL 2074Cb -0.04 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.87 1vsy s VAL 2074CO 0.03 -0.62 0.29 -0.72 -3.33 0.00 0.00 175.10 170.74 1vsy s TYR 2075N -3.87 1.46 -0.09 1.54 1.13 -1.26 -0.24 117.35 116.01 1vsy s TYR 2075Ca 0.19 -1.51 -0.04 0.00 -1.41 0.00 0.00 57.07 54.30 1vsy s TYR 2075Cb 0.07 -0.54 0.05 0.00 -1.10 0.00 0.00 41.96 40.44 1vsy s TYR 2075CO -0.01 -0.87 0.20 -1.12 -2.51 0.00 0.00 175.55 171.24 1vsy s SER 2076N -3.29 0.03 0.00 -0.18 0.01 -1.03 -4.60 113.70 104.64 1vsy s SER 2076Ca 0.38 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1vsy s SER 2076Cb 0.03 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1vsy s SER 2076CO 0.22 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1vsy n GLY 2077N 4.56 0.30 3.59 3.44 0.00 -1.26 -3.00 105.19 112.82 1vsy n GLY 2077Ca -0.20 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1vsy n GLY 2077CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vsy s MET 2078N 0.00 3.60 0.05 1.61 -1.94 -0.28 -4.74 119.30 117.59 1vsy s MET 2078Ca 0.00 0.37 -0.09 0.00 -1.71 0.00 0.00 55.69 54.26 1vsy s MET 2078Cb 0.00 -3.97 -0.02 0.00 2.01 0.00 0.00 34.83 32.85 1vsy s MET 2078CO 0.00 -1.56 1.15 0.78 -0.01 0.00 0.00 175.02 175.38 1vsy h GLY 2079N 11.64 -2.20 0.06 -0.03 0.00 -1.96 -2.47 103.07 108.11 1vsy h GLY 2079Ca -0.24 1.07 0.12 0.00 0.00 0.00 0.00 47.33 48.27 1vsy h GLY 2079CO 1.16 -0.73 0.04 -2.55 0.00 0.00 0.00 176.54 174.45 1vsy h PRO 2080N -0.00 0.15 -0.32 4.80 0.11 -2.00 -0.78 132.00 133.97 1vsy h PRO 2080Ca 0.05 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.22 1vsy h PRO 2080Cb 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1vsy h PRO 2080CO -0.27 0.10 0.22 -0.44 -0.21 0.00 0.00 178.00 177.40 1vsy h ASP 2081N 0.15 0.09 0.07 -2.05 5.19 -1.85 -1.07 116.42 116.95 1vsy h ASP 2081Ca 0.30 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1vsy h ASP 2081Cb 0.47 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1vsy h ASP 2081CO -0.47 0.06 -0.03 0.22 -3.12 0.00 0.00 179.24 175.90 1vsy h TYR 2082N 0.10 -0.08 -0.39 4.55 3.20 -0.79 -2.88 116.97 120.69 1vsy h TYR 2082Ca 0.15 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.09 1vsy h TYR 2082Cb 0.45 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.66 1vsy h TYR 2082CO -0.00 0.36 -0.28 0.00 -1.64 0.00 0.00 178.16 176.59 1vsy h ARG 2083N -0.56 -0.21 0.00 1.82 3.08 -0.65 0.31 114.38 118.17 1vsy h ARG 2083Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1vsy h ARG 2083Cb 0.48 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1vsy h ARG 2083CO 0.02 -0.14 0.00 1.33 -1.07 0.00 0.00 179.97 180.10 1vsy n VAL 2084N -5.41 0.61 0.01 2.04 0.24 -0.84 -1.46 118.33 113.51 1vsy n VAL 2084Ca 0.01 0.08 -0.11 0.00 -2.04 0.00 0.00 64.34 62.28 1vsy n VAL 2084Cb 0.32 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 31.74 1vsy n VAL 2084CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1vsy h LEU 2085N 0.00 0.11 -0.49 1.34 3.38 -0.82 -2.57 115.31 116.25 1vsy h LEU 2085Ca 0.00 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 1vsy h LEU 2085Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1vsy h LEU 2085CO 0.00 1.16 -0.43 0.58 0.09 0.00 0.00 178.44 179.84 1vsy h VAL 2086N 0.02 1.29 0.36 1.22 2.07 0.24 -1.89 116.25 119.55 1vsy h VAL 2086Ca -0.24 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 1vsy h VAL 2086Cb 1.97 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1vsy h VAL 2086CO 0.10 0.52 -0.17 0.44 0.02 0.00 0.00 177.57 178.48 1vsy h ASP 2087N 0.62 -0.41 -0.52 0.57 3.32 -1.38 -1.28 116.42 117.34 1vsy h ASP 2087Ca 0.04 -0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.10 1vsy h ASP 2087Cb 0.99 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1vsy h ASP 2087CO 0.09 0.02 0.48 0.11 -1.72 0.00 0.00 179.24 178.22 1vsy h LYS 2088N -0.95 0.00 0.15 3.56 1.57 -1.51 -2.32 116.57 117.06 1vsy h LYS 2088Ca -0.05 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 1vsy h LYS 2088Cb 0.53 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.85 1vsy h LYS 2088CO 0.08 0.00 -1.12 0.77 -0.57 0.00 0.00 179.45 178.61 1vsy h SER 2089N 0.00 0.50 0.11 0.86 0.02 -1.21 -2.37 113.55 111.45 1vsy h SER 2089Ca 0.25 -0.92 0.01 0.00 -0.84 0.00 0.00 61.79 60.29 1vsy h SER 2089Cb 1.21 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1vsy h SER 2089CO -0.00 1.52 -0.13 0.03 -1.14 0.00 0.00 176.83 177.11 1vsy h ARG 2090N -0.27 -0.26 -0.17 3.45 3.08 -0.74 -2.83 114.38 116.63 1vsy h ARG 2090Ca -0.22 0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.90 1vsy h ARG 2090Cb 1.76 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.82 1vsy h ARG 2090CO 0.14 -0.18 -0.17 -0.22 -1.07 0.00 0.00 179.97 178.47 1vsy h LYS 2091N -0.27 -0.19 -0.08 0.04 3.64 -1.52 -0.99 116.57 117.20 1vsy h LYS 2091Ca 0.01 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1vsy h LYS 2091Cb 0.28 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1vsy h LYS 2091CO -0.05 -0.13 0.17 -0.24 -2.27 0.00 0.00 179.45 176.93 1vsy h VAL 2092N -0.20 0.21 -0.37 2.00 3.04 -1.40 0.34 116.25 119.88 1vsy h VAL 2092Ca 0.11 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.69 1vsy h VAL 2092Cb 0.36 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1vsy h VAL 2092CO -0.29 0.00 -0.21 0.00 -1.01 0.00 0.00 177.57 176.06 1vsy h ALA 2093N 1.73 0.94 0.00 3.17 0.00 -0.92 -2.84 119.26 121.34 1vsy h ALA 2093Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1vsy h ALA 2093Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1vsy h ALA 2093CO -0.00 0.61 -0.05 0.45 0.00 0.00 0.00 179.25 180.26 1vsy h HIS 2094N 0.63 0.00 -1.06 0.00 -0.00 -0.95 -2.45 115.15 111.31 1vsy h HIS 2094Ca 0.09 0.00 0.31 0.00 -0.00 0.00 0.00 60.37 60.77 1vsy h HIS 2094Cb 0.69 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.06 1vsy h HIS 2094CO 0.03 0.00 0.78 1.79 -0.00 0.00 0.00 177.93 180.53 1vsy h THR 2095N -0.87 0.44 -0.00 2.45 1.35 -1.32 -2.28 112.91 112.67 1vsy h THR 2095Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1vsy h THR 2095Cb 0.05 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1vsy h THR 2095CO 0.00 0.00 -0.18 -1.20 -0.25 0.00 0.00 175.52 173.89 1vsy n SER 2096N -4.16 0.54 0.00 5.36 7.64 -1.07 -4.82 113.62 117.11 1vsy n SER 2096Ca 0.22 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1vsy n SER 2096Cb 1.14 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 65.09 1vsy n SER 2096CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vsy n TYR 2097N -0.77 -0.03 -0.35 1.43 4.19 -0.98 -4.89 117.16 115.76 1vsy n TYR 2097Ca 0.02 0.01 0.14 0.00 3.31 0.00 0.00 57.90 61.37 1vsy n TYR 2097Cb 0.09 0.48 0.34 0.00 0.49 0.00 0.00 39.34 40.75 1vsy n TYR 2097CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 1vsy h LYS 2098N 0.00 0.69 0.00 2.98 3.64 -1.20 0.89 116.57 123.58 1vsy h LYS 2098Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1vsy h LYS 2098Cb 0.00 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1vsy h LYS 2098CO 0.00 0.46 0.00 0.54 -2.27 0.00 0.00 179.45 178.18 1vsy n ARG 2099N -4.77 0.09 -0.10 1.90 1.74 -0.89 -1.82 116.66 112.81 1vsy n ARG 2099Ca 0.24 0.08 -0.20 0.00 -0.77 0.00 0.00 57.85 57.20 1vsy n ARG 2099Cb 0.61 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 1vsy n ARG 2099CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1vsy n ILE 2100N -1.44 1.29 0.55 0.55 5.41 0.20 -4.79 119.36 121.12 1vsy n ILE 2100Ca 0.07 -0.19 0.10 0.00 1.00 0.00 0.00 62.75 63.73 1vsy n ILE 2100Cb 0.25 -1.90 0.14 0.00 -0.71 0.00 0.00 39.64 37.42 1vsy n ILE 2100CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1vsy n TYR 2101N -4.08 0.24 0.00 1.39 4.01 -0.52 -4.97 117.16 113.23 1vsy n TYR 2101Ca -0.37 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1vsy n TYR 2101Cb 0.72 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 1vsy n TYR 2101CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vsy n GLY 2102N 1.24 1.68 4.01 2.72 0.00 -0.76 -4.94 105.19 109.16 1vsy n GLY 2102Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1vsy n GLY 2102CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vsy s GLU 2103N 0.00 2.25 0.44 1.61 2.02 -1.26 -5.00 118.70 118.76 1vsy s GLU 2103Ca 0.00 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 53.67 1vsy s GLU 2103Cb 0.00 -2.57 -0.00 0.00 0.10 0.00 0.00 34.13 31.66 1vsy s GLU 2103CO 0.00 -0.90 0.64 0.71 0.02 0.00 0.00 175.26 175.73 1vsy s TYR 2104N -2.75 3.17 0.62 1.61 2.02 -1.26 -3.50 117.35 117.25 1vsy s TYR 2104Ca 0.61 0.12 -0.13 0.00 -0.37 0.00 0.00 57.07 57.30 1vsy s TYR 2104Cb -0.07 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 1vsy s TYR 2104CO 0.39 -0.33 1.04 -2.14 -1.57 0.00 0.00 175.55 172.94 1vsy s PRO 2105N -4.50 3.42 0.41 -1.71 0.02 -1.26 -4.94 135.00 126.43 1vsy s PRO 2105Ca 0.48 0.94 -0.16 0.00 0.02 0.00 0.00 61.00 62.28 1vsy s PRO 2105Cb -0.10 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 1vsy s PRO 2105CO 0.37 -0.72 0.86 -2.14 -0.33 0.00 0.00 177.00 175.04 1vsy s PRO 2106N -4.71 4.02 0.14 5.54 0.02 -1.26 -4.87 135.00 133.89 1vsy s PRO 2106Ca 0.58 0.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.14 1vsy s PRO 2106Cb -0.13 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 1vsy s PRO 2106CO 0.47 -0.02 1.57 1.15 -0.33 0.00 0.00 177.00 179.84 1vsy h THR 2107N 1.59 0.09 -0.97 0.99 2.02 -1.90 -0.96 112.91 113.77 1vsy h THR 2107Ca -0.48 0.00 0.24 0.00 0.77 0.00 0.00 66.41 66.94 1vsy h THR 2107Cb 1.18 0.09 -0.18 0.00 -1.74 0.00 0.00 68.15 67.50 1vsy h THR 2107CO 0.63 0.00 -0.05 0.50 0.37 0.00 0.00 175.52 176.97 1vsy h LYS 2108N -0.39 0.01 0.13 6.66 1.63 -1.97 -1.13 116.57 121.52 1vsy h LYS 2108Ca 0.11 -0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.60 1vsy h LYS 2108Cb 0.60 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1vsy h LYS 2108CO -0.54 0.01 -1.55 -0.07 -3.45 0.00 0.00 179.45 173.85 1vsy h LEU 2109N 0.01 0.43 -0.88 5.20 3.38 -1.60 -1.84 115.31 120.02 1vsy h LEU 2109Ca 0.55 -0.60 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1vsy h LEU 2109Cb 1.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1vsy h LEU 2109CO -0.93 1.50 0.20 0.25 0.09 0.00 0.00 178.44 179.55 1vsy h LEU 2110N 0.08 0.96 -0.15 1.67 5.85 -0.82 -1.41 115.31 121.49 1vsy h LEU 2110Ca -0.25 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1vsy h LEU 2110Cb 2.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 1vsy h LEU 2110CO 0.17 0.90 0.09 0.58 -0.34 0.00 0.00 178.44 179.85 1vsy h VAL 2111N 0.99 1.05 -0.72 1.05 2.07 -1.23 -2.45 116.25 117.01 1vsy h VAL 2111Ca 0.22 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.78 1vsy h VAL 2111Cb 0.29 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1vsy h VAL 2111CO -0.01 0.05 0.13 -1.28 0.02 0.00 0.00 177.57 176.48 1vsy h SER 2112N 0.18 -0.08 0.96 0.57 0.87 -0.83 -1.21 113.55 114.01 1vsy h SER 2112Ca 0.05 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1vsy h SER 2112Cb 0.00 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1vsy h SER 2112CO -0.01 -0.07 0.00 -0.33 -0.53 0.00 0.00 176.83 175.89 1vsy h GLU 2113N 0.22 0.00 0.06 2.24 4.39 -0.86 -0.10 114.58 120.53 1vsy h GLU 2113Ca 0.41 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.87 1vsy h GLU 2113Cb 0.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1vsy h GLU 2113CO -0.54 0.00 -1.27 0.28 -1.16 0.00 0.00 179.01 176.32 1vsy h VAL 2114N 0.00 1.03 -0.71 3.13 2.07 -0.84 -3.08 116.25 117.85 1vsy h VAL 2114Ca 0.00 -2.31 0.10 0.00 0.82 0.00 0.00 66.70 65.31 1vsy h VAL 2114Cb 0.48 2.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.77 1vsy h VAL 2114CO 0.00 0.58 0.34 0.00 0.02 0.00 0.00 177.57 178.51 1vsy h ALA 2115N -0.18 0.98 -0.74 1.67 0.00 -1.11 -0.24 119.26 119.64 1vsy h ALA 2115Ca -0.30 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1vsy h ALA 2115Cb 1.55 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1vsy h ALA 2115CO -0.04 -0.07 0.49 -0.22 0.00 0.00 0.00 179.25 179.41 1vsy h LYS 2116N 0.58 0.81 -0.46 0.00 3.64 -1.15 0.25 116.57 120.23 1vsy h LYS 2116Ca 0.36 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1vsy h LYS 2116Cb 0.40 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1vsy h LYS 2116CO -0.28 0.53 -0.03 0.82 -2.27 0.00 0.00 179.45 178.22 1vsy h ILE 2117N 0.83 1.27 0.07 2.00 2.04 -1.00 -2.97 117.51 119.75 1vsy h ILE 2117Ca 0.31 -1.11 -0.25 0.00 1.00 0.00 0.00 64.86 64.81 1vsy h ILE 2117Cb 0.17 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1vsy h ILE 2117CO -0.10 0.38 -1.18 0.24 0.00 0.00 0.00 178.15 177.49 1vsy h MET 2118N 0.68 0.14 0.00 2.37 2.86 -0.92 -3.19 114.93 116.87 1vsy h MET 2118Ca 0.13 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1vsy h MET 2118Cb 0.55 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1vsy h MET 2118CO 0.03 1.09 0.00 0.37 1.06 0.00 0.00 176.91 179.46 1vsy h GLN 2119N 0.04 0.00 0.00 1.72 -0.00 -0.54 -2.62 115.11 113.71 1vsy h GLN 2119Ca -0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.30 1vsy h GLN 2119Cb 1.89 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 29.33 1vsy h GLN 2119CO 0.16 0.00 -1.76 0.39 0.00 0.00 0.00 178.83 177.62 1vsy n GLU 2120N -2.68 0.64 0.24 1.69 1.02 -1.12 -2.63 120.64 117.80 1vsy n GLU 2120Ca 0.01 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 1vsy n GLU 2120Cb 0.22 -1.73 0.60 0.00 -0.02 0.00 0.00 31.44 30.51 1vsy n GLU 2120CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vsy h ALA 2121N 1.18 1.11 -0.56 0.62 0.00 -1.47 -1.56 119.26 118.58 1vsy h ALA 2121Ca -0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1vsy h ALA 2121Cb 1.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1vsy h ALA 2121CO 0.06 0.20 0.00 2.41 0.00 0.00 0.00 179.25 181.92 1vsy n THR 2122N -3.44 0.00 1.14 0.00 -1.04 -1.05 -3.96 114.28 105.93 1vsy n THR 2122Ca -0.01 0.80 0.05 0.00 -2.04 0.00 0.00 64.05 62.86 1vsy n THR 2122Cb 0.34 -1.69 0.29 0.00 -1.82 0.00 0.00 70.33 67.45 1vsy n THR 2122CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1vsy n GLN 2123N -1.72 0.57 -3.94 -2.82 7.27 -1.08 -4.73 117.38 110.94 1vsy n GLN 2123Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 1vsy n GLN 2123Cb 0.00 -1.27 -0.05 0.00 2.41 0.00 0.00 30.24 31.34 1vsy n GLN 2123CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1vsy s SER 2124N -1.73 6.23 0.31 1.69 0.15 -0.59 -5.05 113.70 114.71 1vsy s SER 2124Ca 0.15 0.25 -0.14 0.00 0.70 0.00 0.00 55.95 56.90 1vsy s SER 2124Cb 0.07 -1.90 -0.09 0.00 -1.71 0.00 0.00 66.02 62.39 1vsy s SER 2124CO 0.11 0.19 0.71 -0.83 1.20 0.00 0.00 173.24 174.63 1vsy s GLY 2125N -2.34 2.33 0.00 9.45 0.00 -1.26 -4.01 107.32 111.48 1vsy s GLY 2125Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1vsy s GLY 2125CO 0.25 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.15 1vsy n GLY 2126N -0.34 0.84 2.92 0.20 0.00 -1.26 -5.01 105.19 102.54 1vsy n GLY 2126Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1vsy n GLY 2126CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsy s VAL 2127N -3.32 0.16 0.33 1.61 -7.23 -1.26 -5.16 120.40 105.54 1vsy s VAL 2127Ca 0.00 -0.27 -0.10 0.00 -1.81 0.00 0.00 61.98 59.80 1vsy s VAL 2127Cb 0.00 -0.18 -0.07 0.00 0.56 0.00 0.00 36.38 36.69 1vsy s VAL 2127CO 0.00 -0.07 0.67 0.00 -0.31 0.00 0.00 175.10 175.39 1vsy s ARG 2128N -0.36 3.79 1.13 4.82 1.70 -1.26 -4.74 118.95 124.03 1vsy s ARG 2128Ca -0.02 0.35 -0.16 0.00 -0.47 0.00 0.00 55.73 55.43 1vsy s ARG 2128Cb -0.03 -2.51 0.25 0.00 -0.57 0.00 0.00 34.95 32.09 1vsy s ARG 2128CO -0.00 0.13 1.09 -2.14 -1.08 0.00 0.00 175.30 173.30 1vsy s PRO 2129N -3.43 -0.61 0.37 3.89 0.02 -1.25 -4.80 135.00 129.19 1vsy s PRO 2129Ca 0.49 0.21 -0.24 0.00 0.02 0.00 0.00 61.00 61.48 1vsy s PRO 2129Cb -0.11 -1.64 -0.10 0.00 0.02 0.00 0.00 34.50 32.67 1vsy s PRO 2129CO 0.27 -3.36 0.96 -0.06 -0.33 0.00 0.00 177.00 174.47 1vsy s PHE 2130N -2.95 3.52 -0.46 6.54 0.08 -1.26 -4.97 117.98 118.49 1vsy s PHE 2130Ca 0.68 1.71 -0.03 0.00 0.12 0.00 0.00 56.93 59.42 1vsy s PHE 2130Cb -0.14 -2.93 0.17 0.00 -0.57 0.00 0.00 43.02 39.55 1vsy s PHE 2130CO 0.57 -0.00 2.39 0.41 -0.10 0.00 0.00 175.22 178.49 1vsy n GLY 2131N 0.16 4.50 3.13 4.36 0.00 -1.26 -4.63 105.19 111.44 1vsy n GLY 2131Ca 0.04 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 1vsy n GLY 2131CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsy s VAL 2132N -2.71 0.03 -0.11 1.61 -7.23 -1.26 -1.13 120.40 109.59 1vsy s VAL 2132Ca 0.49 -0.22 -0.04 0.00 -1.81 0.00 0.00 61.98 60.41 1vsy s VAL 2132Cb 0.35 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.87 1vsy s VAL 2132CO -0.14 -0.12 0.05 -0.44 -0.31 0.00 0.00 175.10 174.14 1vsy s SER 2133N -0.40 5.62 -0.01 4.85 0.01 -1.16 -3.66 113.70 118.95 1vsy s SER 2133Ca -0.05 0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.45 1vsy s SER 2133Cb -0.03 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1vsy s SER 2133CO 0.01 0.35 -0.01 -0.76 0.41 0.00 0.00 173.24 173.24 1vsy s LEU 2134N -0.72 3.46 -0.27 2.44 1.43 0.46 -2.48 118.68 123.00 1vsy s LEU 2134Ca 0.12 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1vsy s LEU 2134Cb -0.12 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1vsy s LEU 2134CO 0.02 0.29 -0.03 -0.76 0.23 0.00 0.00 176.35 176.10 1vsy s LEU 2135N -1.49 3.47 -0.19 1.79 1.43 0.67 -1.12 118.68 123.23 1vsy s LEU 2135Ca 0.19 -1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 1vsy s LEU 2135Cb -0.11 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1vsy s LEU 2135CO 0.09 -0.18 -0.01 -0.63 0.23 0.00 0.00 176.35 175.85 1vsy s ILE 2136N 1.30 3.88 -0.00 -0.59 1.01 -0.57 -0.95 121.20 125.28 1vsy s ILE 2136Ca -0.02 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.36 1vsy s ILE 2136Cb -0.18 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1vsy s ILE 2136CO -0.03 0.44 -0.22 0.00 0.00 0.00 0.00 174.94 175.13 1vsy s ALA 2137N 0.93 1.84 -0.07 9.38 0.00 -0.23 -1.10 121.76 132.50 1vsy s ALA 2137Ca 0.01 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 1vsy s ALA 2137Cb -0.14 -0.44 0.12 0.00 0.00 0.00 0.00 23.12 22.65 1vsy s ALA 2137CO 0.02 0.44 1.37 0.20 0.00 0.00 0.00 175.76 177.79 1vsy s GLY 2138N -0.70 -0.30 -0.06 0.00 0.00 -1.05 -0.91 107.32 104.30 1vsy s GLY 2138Ca 0.09 0.42 -0.02 0.00 0.00 0.00 0.00 44.72 45.21 1vsy s GLY 2138CO -0.00 4.18 0.03 -1.58 0.00 0.00 0.00 173.10 175.73 1vsy s HIS 2139N -2.05 0.43 0.14 1.90 2.46 -0.67 -2.39 115.29 115.11 1vsy s HIS 2139Ca 0.25 -0.01 0.08 0.00 0.47 0.00 0.00 55.06 55.85 1vsy s HIS 2139Cb 0.03 -0.68 -0.04 0.00 -0.13 0.00 0.00 32.58 31.76 1vsy s HIS 2139CO -0.04 -0.28 -0.09 0.16 -2.47 0.00 0.00 174.74 172.02 1vsy s ASP 2140N 2.05 4.39 0.44 9.88 1.47 -1.05 -4.84 116.67 129.01 1vsy s ASP 2140Ca 0.05 -0.45 0.14 0.00 1.18 0.00 0.00 52.55 53.47 1vsy s ASP 2140Cb -0.12 -0.82 1.05 0.00 -0.34 0.00 0.00 42.92 42.70 1vsy s ASP 2140CO -0.04 0.14 2.00 -0.08 0.68 0.00 0.00 175.17 177.87 1vsy h GLU 2141N 3.29 0.36 0.04 2.11 4.81 -1.98 -2.00 114.58 121.21 1vsy h GLU 2141Ca -0.48 -0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 58.37 1vsy h GLU 2141Cb 1.18 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 1vsy h GLU 2141CO 0.53 0.24 -2.16 1.19 -0.73 0.00 0.00 179.01 178.08 1vsy n PHE 2142N -4.47 0.58 1.22 0.92 3.01 -1.26 -4.36 117.46 113.10 1vsy n PHE 2142Ca 0.09 0.15 0.13 0.00 1.01 0.00 0.00 57.45 58.83 1vsy n PHE 2142Cb 0.35 -1.09 0.29 0.00 -0.01 0.00 0.00 39.48 39.02 1vsy n PHE 2142CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1vsy n ASN 2143N -3.16 1.72 0.00 4.37 3.02 -1.19 -5.06 115.26 114.96 1vsy n ASN 2143Ca -0.33 -1.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 1vsy n ASN 2143Cb 1.06 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.37 1vsy n ASN 2143CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vsy n GLY 2144N 1.31 1.93 3.88 7.41 0.00 -0.76 -4.73 105.19 114.23 1vsy n GLY 2144Ca 0.14 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1vsy n GLY 2144CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vsy s PHE 2145N 0.00 3.53 -0.11 1.61 0.08 -1.26 -2.52 117.98 119.30 1vsy s PHE 2145Ca 0.00 1.10 -0.30 0.00 0.12 0.00 0.00 56.93 57.85 1vsy s PHE 2145Cb 0.00 -2.52 0.12 0.00 -0.57 0.00 0.00 43.02 40.05 1vsy s PHE 2145CO 0.00 -0.33 0.99 -1.54 -0.10 0.00 0.00 175.22 174.24 1vsy s SER 2146N -3.65 -0.34 -0.04 1.36 1.04 -1.00 -5.01 113.70 106.06 1vsy s SER 2146Ca 0.52 0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1vsy s SER 2146Cb -0.10 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.35 1vsy s SER 2146CO 0.40 -0.42 -0.01 -0.22 0.98 0.00 0.00 173.24 173.98 1vsy s LEU 2147N -1.66 1.08 0.15 2.42 2.96 -1.26 -2.54 118.68 119.83 1vsy s LEU 2147Ca 0.02 -0.06 0.11 0.00 -0.22 0.00 0.00 54.13 53.98 1vsy s LEU 2147Cb -0.01 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.33 1vsy s LEU 2147CO -0.03 -0.11 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.34 1vsy s TYR 2148N 1.19 2.23 -0.06 5.38 1.51 -0.26 0.13 117.35 127.47 1vsy s TYR 2148Ca -0.07 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 1vsy s TYR 2148Cb -0.13 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1vsy s TYR 2148CO -0.02 0.39 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.52 1vsy s GLN 2149N -2.33 2.58 -0.09 -0.62 0.74 0.69 -1.51 119.66 119.11 1vsy s GLN 2149Ca 0.16 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.87 1vsy s GLN 2149Cb -0.09 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.66 1vsy s GLN 2149CO 0.07 0.56 -0.15 0.08 -0.55 0.00 0.00 175.29 175.31 1vsy s VAL 2150N -0.58 1.41 0.29 1.34 1.01 -0.27 -1.52 120.40 122.09 1vsy s VAL 2150Ca 0.08 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1vsy s VAL 2150Cb -0.11 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1vsy s VAL 2150CO 0.01 0.42 0.43 -1.81 0.00 0.00 0.00 175.10 174.15 1vsy s ASP 2151N 0.85 6.13 0.47 3.32 1.11 -0.73 -0.41 116.67 127.41 1vsy s ASP 2151Ca -0.10 -0.06 0.22 0.00 0.18 0.00 0.00 52.55 52.79 1vsy s ASP 2151Cb -0.15 -1.52 1.23 0.00 1.07 0.00 0.00 42.92 43.55 1vsy s ASP 2151CO 0.01 -0.28 1.89 -0.65 1.18 0.00 0.00 175.17 177.33 1vsy h PRO 2152N 1.01 0.23 0.00 8.23 0.11 -1.82 -1.54 132.00 138.22 1vsy h PRO 2152Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vsy h PRO 2152Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vsy h PRO 2152CO 0.56 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 1vsy n SER 2153N -4.42 0.46 0.00 -2.05 3.41 -1.26 -4.57 113.62 105.18 1vsy n SER 2153Ca 0.17 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1vsy n SER 2153Cb 0.73 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1vsy n SER 2153CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vsy n GLY 2154N -0.67 1.19 3.80 5.00 0.00 -0.58 -4.65 105.19 109.29 1vsy n GLY 2154Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1vsy n GLY 2154CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vsy s SER 2155N -3.07 6.19 -0.07 1.61 0.01 -1.26 -4.66 113.70 112.44 1vsy s SER 2155Ca 0.00 1.89 -0.08 0.00 1.31 0.00 0.00 55.95 59.07 1vsy s SER 2155Cb 0.00 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.70 1vsy s SER 2155CO 0.00 -0.89 0.23 -0.72 0.41 0.00 0.00 173.24 172.27 1vsy s TYR 2156N -2.13 -0.22 0.05 2.43 -0.85 -1.26 -1.77 117.35 113.60 1vsy s TYR 2156Ca 0.66 0.53 0.04 0.00 -0.52 0.00 0.00 57.07 57.78 1vsy s TYR 2156Cb -0.16 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.23 1vsy s TYR 2156CO 0.25 -0.16 -0.12 -0.06 -1.52 0.00 0.00 175.55 173.94 1vsy s PHE 2157N -0.12 1.05 -0.06 -3.49 0.40 -0.57 -4.96 117.98 110.23 1vsy s PHE 2157Ca -0.02 -0.42 -0.20 0.00 -0.60 0.00 0.00 56.93 55.69 1vsy s PHE 2157Cb -0.02 -0.61 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 1vsy s PHE 2157CO 0.01 0.01 0.56 -1.25 0.70 0.00 0.00 175.22 175.25 1vsy s PRO 2158N -1.46 4.33 0.01 0.24 0.05 -1.26 -0.22 135.00 136.68 1vsy s PRO 2158Ca -0.03 0.64 0.06 0.00 0.05 0.00 0.00 61.00 61.73 1vsy s PRO 2158Cb -0.09 -3.39 -0.02 0.00 0.05 0.00 0.00 34.50 31.05 1vsy s PRO 2158CO 0.01 0.25 -0.20 -1.58 0.05 0.00 0.00 177.00 175.54 1vsy s TRP 2159N 0.24 1.76 0.17 0.56 0.52 0.12 -4.96 118.94 117.34 1vsy s TRP 2159Ca 0.30 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.08 1vsy s TRP 2159Cb -0.17 -1.10 0.02 0.00 -1.15 0.00 0.00 33.47 31.07 1vsy s TRP 2159CO 0.15 0.02 1.39 0.87 0.02 0.00 0.00 176.95 179.40 1vsy h LYS 2160N 5.32 0.26 -1.04 4.98 1.57 -1.95 -3.35 116.57 122.37 1vsy h LYS 2160Ca -0.40 -0.26 0.21 0.00 -1.87 0.00 0.00 60.65 58.33 1vsy h LYS 2160Cb 1.15 0.07 -0.32 0.00 0.08 0.00 0.00 32.23 33.21 1vsy h LYS 2160CO 0.46 0.96 0.93 0.00 -0.57 0.00 0.00 179.45 181.23 1vsy s ALA 2161N -3.34 -2.21 0.30 3.86 0.00 -1.26 -0.94 121.76 118.17 1vsy s ALA 2161Ca -0.04 1.73 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 1vsy s ALA 2161Cb 0.10 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.54 1vsy s ALA 2161CO 0.83 -0.13 0.88 -0.08 0.00 0.00 0.00 175.76 177.26 1vsy s THR 2162N -0.25 0.00 0.05 0.00 -1.32 -0.78 -5.00 115.64 108.34 1vsy s THR 2162Ca 0.08 -0.84 -0.03 0.00 -1.21 0.00 0.00 61.69 59.69 1vsy s THR 2162Cb -0.04 -2.76 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 1vsy s THR 2162CO -0.14 0.00 0.02 0.00 -2.21 0.00 0.00 174.62 172.29 1vsy s ALA 2163N -2.45 0.27 0.04 11.08 0.00 -1.26 -1.41 121.76 128.03 1vsy s ALA 2163Ca 0.17 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 1vsy s ALA 2163Cb -0.04 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1vsy s ALA 2163CO 0.08 -0.35 -0.03 0.96 0.00 0.00 0.00 175.76 176.42 1vsy s ILE 2164N -3.40 0.20 0.00 0.00 -4.36 -0.30 -4.82 121.20 108.53 1vsy s ILE 2164Ca 0.02 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 1vsy s ILE 2164Cb 0.04 -0.89 0.00 0.00 1.25 0.00 0.00 42.46 42.86 1vsy s ILE 2164CO -0.08 -0.73 0.00 0.61 0.24 0.00 0.00 174.94 174.98 1vsy n GLY 2165N 0.87 -1.57 0.46 6.27 0.00 -1.25 -1.83 105.19 108.14 1vsy n GLY 2165Ca -0.19 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.60 1vsy n GLY 2165CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vsy h LYS 2166N 0.21 -1.12 0.00 1.61 1.57 -1.43 -2.21 116.57 115.20 1vsy h LYS 2166Ca 0.00 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1vsy h LYS 2166Cb 0.00 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1vsy h LYS 2166CO 0.00 -0.75 0.00 0.41 -0.57 0.00 0.00 179.45 178.54 1vsy n GLY 2167N -1.27 -0.24 0.31 3.86 0.00 -1.26 -4.02 105.19 102.58 1vsy n GLY 2167Ca -0.14 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1vsy n GLY 2167CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1vsy h SER 2168N 0.00 -0.62 0.01 1.61 0.87 -1.61 -0.71 113.55 113.10 1vsy h SER 2168Ca 0.00 0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1vsy h SER 2168Cb 0.00 0.47 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1vsy h SER 2168CO 0.00 -0.26 -0.36 0.58 -0.53 0.00 0.00 176.83 176.25 1vsy h VAL 2169N 0.03 1.53 0.05 2.23 2.07 -1.82 -0.76 116.25 119.57 1vsy h VAL 2169Ca 0.44 -2.05 0.02 0.00 0.82 0.00 0.00 66.70 65.93 1vsy h VAL 2169Cb 0.74 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 33.28 1vsy h VAL 2169CO -0.82 0.57 -0.24 0.00 0.02 0.00 0.00 177.57 177.10 1vsy h ALA 2170N 0.24 -0.35 -0.37 1.67 0.00 -1.81 -2.72 119.26 115.92 1vsy h ALA 2170Ca -0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1vsy h ALA 2170Cb 1.13 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1vsy h ALA 2170CO 0.07 -0.75 -0.33 0.00 0.00 0.00 0.00 179.25 178.23 1vsy h ALA 2171N 0.41 0.71 -0.39 0.00 0.00 -1.19 -2.45 119.26 116.37 1vsy h ALA 2171Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1vsy h ALA 2171Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1vsy h ALA 2171CO -0.18 0.66 0.18 0.87 0.00 0.00 0.00 179.25 180.79 1vsy h LYS 2172N 0.69 0.53 -0.03 0.00 1.57 -1.13 -0.91 116.57 117.29 1vsy h LYS 2172Ca 0.07 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1vsy h LYS 2172Cb 0.89 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1vsy h LYS 2172CO 0.08 0.42 -0.81 1.15 -0.57 0.00 0.00 179.45 179.71 1vsy h THR 2173N 0.54 1.42 0.00 -0.16 2.02 -1.23 -2.86 112.91 112.63 1vsy h THR 2173Ca 0.14 -2.34 -0.11 0.00 0.77 0.00 0.00 66.41 64.87 1vsy h THR 2173Cb 0.06 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 1vsy h THR 2173CO -0.02 0.69 -0.52 0.15 0.37 0.00 0.00 175.52 176.19 1vsy h PHE 2174N 0.21 0.00 0.01 3.16 3.57 -0.95 -2.63 116.94 120.31 1vsy h PHE 2174Ca -0.04 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.24 1vsy h PHE 2174Cb 1.41 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1vsy h PHE 2174CO 0.04 0.52 -0.92 -0.07 -2.23 0.00 0.00 178.31 175.65 1vsy h LEU 2175N 0.00 0.37 -0.22 0.59 3.38 -1.09 -1.31 115.31 117.03 1vsy h LEU 2175Ca -0.01 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1vsy h LEU 2175Cb 0.93 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1vsy h LEU 2175CO 0.07 1.11 0.07 -0.33 0.09 0.00 0.00 178.44 179.45 1vsy h GLU 2176N 0.15 0.35 -0.98 1.13 5.08 -1.42 -1.15 114.58 117.75 1vsy h GLU 2176Ca -0.06 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1vsy h GLU 2176Cb 1.56 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.70 1vsy h GLU 2176CO 0.15 0.44 0.64 -0.22 -1.00 0.00 0.00 179.01 179.02 1vsy h LYS 2177N 0.19 1.19 -0.00 2.33 3.64 -1.36 -3.20 116.57 119.36 1vsy h LYS 2177Ca 0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vsy h LYS 2177Cb 0.23 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1vsy h LYS 2177CO -0.00 0.79 -0.96 0.54 -2.27 0.00 0.00 179.45 177.55 1vsy n ARG 2178N -4.45 0.04 -3.22 1.90 5.12 -0.50 -4.95 116.66 110.59 1vsy n ARG 2178Ca 0.13 -0.03 -0.40 0.00 -1.93 0.00 0.00 57.85 55.63 1vsy n ARG 2178Cb 0.11 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 29.84 1vsy n ARG 2178CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1vsy s TRP 2179N -2.98 3.30 0.23 -1.55 -0.00 -0.44 -5.07 118.94 112.42 1vsy s TRP 2179Ca 0.08 0.69 0.11 0.00 -0.00 0.00 0.00 56.10 56.99 1vsy s TRP 2179Cb 0.16 -2.72 -0.05 0.00 -0.00 0.00 0.00 33.47 30.86 1vsy s TRP 2179CO 0.85 -0.24 -0.22 0.54 -0.00 0.00 0.00 176.95 177.88 1vsy s ASN 2180N 1.43 3.43 -0.06 5.86 2.20 -1.26 -4.96 114.94 121.58 1vsy s ASN 2180Ca 0.22 -0.94 0.01 0.00 -0.94 0.00 0.00 52.86 51.22 1vsy s ASN 2180Cb -0.16 -0.26 0.12 0.00 -2.00 0.00 0.00 41.25 38.95 1vsy s ASN 2180CO 0.09 0.07 1.01 -0.90 -2.94 0.00 0.00 177.10 174.44 1vsy n ASP 2181N -0.11 2.71 -0.35 3.54 5.75 -1.26 -3.19 116.55 123.65 1vsy n ASP 2181Ca -0.09 -2.23 0.06 0.00 -0.01 0.00 0.00 54.79 52.52 1vsy n ASP 2181Cb 0.58 -0.55 0.09 0.00 -1.03 0.00 0.00 41.12 40.21 1vsy n ASP 2181CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1vsy n GLU 2182N 0.19 0.82 -2.40 0.11 1.02 -1.26 -4.85 120.64 114.28 1vsy n GLU 2182Ca 0.08 -2.11 -0.42 0.00 -0.02 0.00 0.00 57.16 54.70 1vsy n GLU 2182Cb 0.60 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.89 1vsy n GLU 2182CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1vsy s LEU 2183N -1.82 4.41 0.50 -4.62 1.43 -1.19 -4.93 118.68 112.47 1vsy s LEU 2183Ca 0.22 2.13 -0.12 0.00 -1.03 0.00 0.00 54.13 55.33 1vsy s LEU 2183Cb 0.21 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 1vsy s LEU 2183CO -0.00 -0.42 0.91 -0.70 0.23 0.00 0.00 176.35 176.37 1vsy s GLU 2184N 0.41 3.76 0.47 1.70 2.12 -1.26 -1.39 118.70 124.51 1vsy s GLU 2184Ca 0.56 0.66 0.15 0.00 0.36 0.00 0.00 54.97 56.70 1vsy s GLU 2184Cb -0.31 -2.23 1.13 0.00 0.26 0.00 0.00 34.13 32.98 1vsy s GLU 2184CO 0.33 -0.26 2.04 1.25 -0.54 0.00 0.00 175.26 178.08 1vsy h LEU 2185N 0.64 0.22 -1.19 2.70 5.85 -1.88 0.59 115.31 122.24 1vsy h LEU 2185Ca -0.46 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1vsy h LEU 2185Cb 1.19 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1vsy h LEU 2185CO 0.62 0.14 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.17 1vsy h GLU 2186N 0.25 0.00 -0.23 1.25 4.39 -1.95 -1.31 114.58 116.98 1vsy h GLU 2186Ca 0.17 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.68 1vsy h GLU 2186Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1vsy h GLU 2186CO -0.03 0.37 -0.63 -0.44 -1.16 0.00 0.00 179.01 177.11 1vsy h ASP 2187N 0.00 0.91 0.88 1.42 3.32 -1.27 -2.67 116.42 119.01 1vsy h ASP 2187Ca -0.00 -0.53 -0.10 0.00 0.02 0.00 0.00 57.03 56.41 1vsy h ASP 2187Cb 0.75 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1vsy h ASP 2187CO 0.05 1.32 -0.49 0.00 -1.72 0.00 0.00 179.24 178.40 1vsy h ALA 2188N 0.69 0.91 -0.07 3.45 0.00 -1.12 -1.32 119.26 121.80 1vsy h ALA 2188Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1vsy h ALA 2188Cb 1.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1vsy h ALA 2188CO 0.13 0.61 -0.00 0.82 0.00 0.00 0.00 179.25 180.81 1vsy h ILE 2189N 0.00 1.25 -0.54 0.00 2.04 -1.26 -2.02 117.51 116.98 1vsy h ILE 2189Ca -0.00 -0.78 0.08 0.00 1.00 0.00 0.00 64.86 65.15 1vsy h ILE 2189Cb 1.06 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.72 1vsy h ILE 2189CO 0.06 0.22 0.19 -0.74 0.00 0.00 0.00 178.15 177.88 1vsy h HIS 2190N -0.17 0.33 0.37 1.37 2.76 -1.19 -2.28 115.15 116.34 1vsy h HIS 2190Ca 0.02 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1vsy h HIS 2190Cb 0.34 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1vsy h HIS 2190CO 0.03 0.09 -0.18 0.82 -1.30 0.00 0.00 177.93 177.40 1vsy h ILE 2191N 0.37 0.64 0.00 6.26 5.03 -1.24 -2.82 117.51 125.75 1vsy h ILE 2191Ca 0.27 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 1vsy h ILE 2191Cb 0.31 0.77 0.00 0.00 -3.03 0.00 0.00 36.82 34.86 1vsy h ILE 2191CO -0.27 0.05 0.00 0.00 -0.68 0.00 0.00 178.15 177.25 1vsy n ALA 2192N -2.39 1.14 -0.02 1.87 0.00 -0.76 -0.78 120.51 119.57 1vsy n ALA 2192Ca -0.10 0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 1vsy n ALA 2192Cb 0.25 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 1vsy n ALA 2192CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vsy h LEU 2193N 0.00 0.26 0.17 0.00 3.38 -1.20 -3.16 115.31 114.76 1vsy h LEU 2193Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.14 1vsy h LEU 2193Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1vsy h LEU 2193CO 0.00 1.46 -0.16 -0.07 0.09 0.00 0.00 178.44 179.76 1vsy h LEU 2194N -0.55 -0.42 -1.21 1.67 3.38 -0.88 -0.74 115.31 116.56 1vsy h LEU 2194Ca -0.24 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.06 1vsy h LEU 2194Cb 1.53 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 42.31 1vsy h LEU 2194CO 0.02 -0.24 0.66 0.74 0.09 0.00 0.00 178.44 179.70 1vsy h THR 2195N -0.35 0.44 0.00 0.22 2.02 -1.12 0.13 112.91 114.25 1vsy h THR 2195Ca 0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1vsy h THR 2195Cb 0.33 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1vsy h THR 2195CO -0.04 0.07 -0.57 0.25 0.37 0.00 0.00 175.52 175.61 1vsy h LEU 2196N 0.40 0.00 -0.68 2.58 5.85 -1.40 -3.33 115.31 118.72 1vsy h LEU 2196Ca 0.66 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.29 1vsy h LEU 2196Cb 1.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 1vsy h LEU 2196CO -0.41 0.06 -0.44 0.50 -0.34 0.00 0.00 178.44 177.80 1vsy h LYS 2197N 0.00 0.00 0.02 1.25 3.64 0.77 -1.88 116.57 120.38 1vsy h LYS 2197Ca -0.01 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 1vsy h LYS 2197Cb 1.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 1vsy h LYS 2197CO 0.01 0.44 -1.22 0.93 -2.27 0.00 0.00 179.45 177.34 1vsy h GLU 2198N 0.00 0.05 0.04 1.90 4.39 -1.63 -3.35 114.58 115.98 1vsy h GLU 2198Ca -0.00 -0.08 -0.31 0.00 0.34 0.00 0.00 59.36 59.30 1vsy h GLU 2198Cb 1.05 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 1vsy h GLU 2198CO 0.06 0.92 -1.76 0.66 -1.16 0.00 0.00 179.01 177.74 1vsy h SER 2199N 0.01 0.13 -0.44 1.42 4.64 -1.68 -3.49 113.55 114.15 1vsy h SER 2199Ca -0.10 -0.28 -0.34 0.00 -0.47 0.00 0.00 61.79 60.60 1vsy h SER 2199Cb 1.86 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 63.93 1vsy h SER 2199CO 0.13 1.25 -0.00 0.55 -0.87 0.00 0.00 176.83 177.89 1vsy n VAL 2200N -3.19 0.10 -0.10 0.95 3.14 -0.71 -4.91 118.33 113.61 1vsy n VAL 2200Ca -0.20 -0.02 -0.17 0.00 -2.96 0.00 0.00 64.34 60.99 1vsy n VAL 2200Cb 1.05 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.75 1vsy n VAL 2200CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1vsy n GLU 2201N 0.63 0.53 0.00 1.45 1.02 -1.26 -5.00 120.64 118.01 1vsy n GLU 2201Ca 0.09 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1vsy n GLU 2201Cb 0.04 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1vsy n GLU 2201CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vsy n GLY 2202N 1.47 1.32 3.91 0.62 0.00 -1.26 -5.08 105.19 106.17 1vsy n GLY 2202Ca -0.26 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 1vsy n GLY 2202CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vsy s GLU 2203N 2.07 2.35 -0.44 1.61 0.41 -1.26 -5.07 118.70 118.38 1vsy s GLU 2203Ca 0.00 0.06 0.02 0.00 -0.41 0.00 0.00 54.97 54.64 1vsy s GLU 2203Cb 0.00 -2.08 0.13 0.00 -1.78 0.00 0.00 34.13 30.41 1vsy s GLU 2203CO 0.00 -1.25 0.23 0.12 -0.49 0.00 0.00 175.26 173.88 1vsy s PHE 2204N -3.35 2.12 0.00 1.61 5.36 -1.26 -4.80 117.98 117.66 1vsy s PHE 2204Ca 0.59 -2.49 0.00 0.00 -0.96 0.00 0.00 56.93 54.08 1vsy s PHE 2204Cb -0.11 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1vsy s PHE 2204CO 0.48 -0.78 0.00 0.27 -1.46 0.00 0.00 175.22 173.72 1vsy n ASN 2205N 3.55 0.00 0.10 6.13 0.23 -1.26 -5.04 115.26 118.98 1vsy n ASN 2205Ca 0.08 -0.02 0.13 0.00 -0.53 0.00 0.00 54.58 54.24 1vsy n ASN 2205Cb 0.34 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.48 1vsy n ASN 2205CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vsy n GLY 2206N 0.00 -1.63 0.01 4.83 0.00 -1.26 -2.55 105.19 104.59 1vsy n GLY 2206Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1vsy n GLY 2206CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vsy n ASP 2207N -2.21 0.66 -0.06 1.61 8.00 -1.26 -4.08 116.55 119.21 1vsy n ASP 2207Ca 0.05 -0.42 0.02 0.00 0.71 0.00 0.00 54.79 55.15 1vsy n ASP 2207Cb 0.39 0.55 0.02 0.00 -0.02 0.00 0.00 41.12 42.06 1vsy n ASP 2207CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1vsy n THR 2208N -1.61 0.76 -5.17 -3.53 -2.24 -1.22 -4.85 114.28 96.42 1vsy n THR 2208Ca 0.04 -0.82 -0.31 0.00 -2.27 0.00 0.00 64.05 60.69 1vsy n THR 2208Cb 0.36 0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 68.95 1vsy n THR 2208CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1vsy s ILE 2209N -0.92 1.95 -0.14 2.28 -1.09 -1.06 -1.51 121.20 120.72 1vsy s ILE 2209Ca 0.05 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1vsy s ILE 2209Cb 0.04 -1.68 -0.01 0.00 -1.58 0.00 0.00 42.46 39.24 1vsy s ILE 2209CO 0.00 0.54 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.50 1vsy s GLU 2210N 0.14 3.31 -0.02 2.79 2.02 -0.87 -4.84 118.70 121.23 1vsy s GLU 2210Ca -0.12 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.16 1vsy s GLU 2210Cb -0.16 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.47 1vsy s GLU 2210CO 0.06 0.14 -0.02 -1.17 0.02 0.00 0.00 175.26 174.28 1vsy s LEU 2211N 0.53 1.56 0.16 1.80 0.20 -1.26 -2.40 118.68 119.27 1vsy s LEU 2211Ca -0.09 -0.06 0.06 0.00 0.69 0.00 0.00 54.13 54.73 1vsy s LEU 2211Cb -0.16 -0.24 -0.04 0.00 -0.43 0.00 0.00 46.19 45.32 1vsy s LEU 2211CO 0.04 -0.03 -0.14 0.00 -0.29 0.00 0.00 176.35 175.93 1vsy s ALA 2212N 0.52 1.72 0.19 5.97 0.00 -0.48 -1.51 121.76 128.16 1vsy s ALA 2212Ca -0.05 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.46 1vsy s ALA 2212Cb -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1vsy s ALA 2212CO -0.01 0.06 -0.04 0.96 0.00 0.00 0.00 175.76 176.73 1vsy s ILE 2213N -2.70 1.03 -0.55 0.00 -4.36 -0.20 -2.25 121.20 112.18 1vsy s ILE 2213Ca 0.16 -2.04 0.04 0.00 -0.26 0.00 0.00 60.65 58.55 1vsy s ILE 2213Cb -0.02 -2.12 0.15 0.00 1.25 0.00 0.00 42.46 41.72 1vsy s ILE 2213CO 0.04 -0.51 0.34 -0.63 0.24 0.00 0.00 174.94 174.42 1vsy s ILE 2214N -3.42 2.07 0.00 8.37 -1.09 0.26 -2.06 121.20 125.33 1vsy s ILE 2214Ca 0.23 -3.34 0.00 0.00 -2.23 0.00 0.00 60.65 55.31 1vsy s ILE 2214Cb 0.05 -2.41 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 1vsy s ILE 2214CO 0.05 -0.95 0.00 0.61 -1.23 0.00 0.00 174.94 173.42 1vsy n GLY 2215N 2.82 2.84 3.68 6.18 0.00 -0.66 -2.38 105.19 117.67 1vsy n GLY 2215Ca 0.14 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1vsy n GLY 2215CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vsy s ASP 2216N 0.83 3.05 0.08 1.61 1.01 -1.26 -4.78 116.67 117.21 1vsy s ASP 2216Ca 0.00 2.05 -0.31 0.00 0.71 0.00 0.00 52.55 55.00 1vsy s ASP 2216Cb 0.00 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.33 1vsy s ASP 2216CO 0.00 -3.00 1.42 -1.61 0.21 0.00 0.00 175.17 172.19 1vsy s GLU 2217N -4.69 4.30 -0.77 8.23 2.02 -1.26 -4.33 118.70 122.20 1vsy s GLU 2217Ca 0.66 2.07 -0.16 0.00 0.02 0.00 0.00 54.97 57.55 1vsy s GLU 2217Cb -0.22 -3.37 0.17 0.00 0.10 0.00 0.00 34.13 30.82 1vsy s GLU 2217CO 0.58 -0.50 0.79 -0.80 0.02 0.00 0.00 175.26 175.35 1vsy s ASN 2218N 1.43 6.56 0.38 -0.19 0.01 -0.33 -4.90 114.94 117.89 1vsy s ASN 2218Ca 0.65 -2.22 0.16 0.00 -0.71 0.00 0.00 52.86 50.74 1vsy s ASN 2218Cb -0.36 -2.26 0.74 0.00 0.41 0.00 0.00 41.25 39.78 1vsy s ASN 2218CO 0.29 -0.80 1.79 -0.65 -1.51 0.00 0.00 177.10 176.23 1vsy h PRO 2219N 8.38 0.00 -1.37 -0.60 0.11 -1.85 -2.92 132.00 133.76 1vsy h PRO 2219Ca -0.01 0.00 0.41 0.00 0.11 0.00 0.00 66.00 66.51 1vsy h PRO 2219Cb 1.05 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.07 1vsy h PRO 2219CO 0.92 0.38 0.93 -0.44 -0.21 0.00 0.00 178.00 179.58 1vsy h ASP 2220N 0.00 0.18 -0.41 -2.05 5.19 -1.90 -2.42 116.42 115.01 1vsy h ASP 2220Ca -0.00 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.40 1vsy h ASP 2220Cb 0.76 0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.28 1vsy h ASP 2220CO 0.05 -0.05 0.05 0.18 -3.12 0.00 0.00 179.24 176.34 1vsy n LEU 2221N -4.41 4.57 0.11 1.55 4.77 -1.10 -4.57 117.00 117.91 1vsy n LEU 2221Ca 0.34 -3.18 -0.24 0.00 -0.03 0.00 0.00 56.01 52.90 1vsy n LEU 2221Cb 1.40 -0.62 -0.15 0.00 -2.33 0.00 0.00 43.42 41.72 1vsy n LEU 2221CO 0.31 0.79 -0.28 0.25 -1.33 0.00 0.00 177.39 177.14 1vsy h LEU 2222N 2.05 0.72 0.00 2.23 5.85 -1.58 -3.44 115.31 121.15 1vsy h LEU 2222Ca 0.09 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.89 1vsy h LEU 2222Cb 1.72 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1vsy h LEU 2222CO 0.39 1.68 0.00 0.61 -0.34 0.00 0.00 178.44 180.78 1vsy n GLY 2223N 1.75 0.14 3.59 3.75 0.00 -1.26 -5.05 105.19 108.11 1vsy n GLY 2223Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1vsy n GLY 2223CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vsy s TYR 2224N -2.00 -0.01 -0.11 1.61 1.13 -1.26 -5.17 117.35 111.54 1vsy s TYR 2224Ca 0.00 -0.35 -0.04 0.00 -1.41 0.00 0.00 57.07 55.26 1vsy s TYR 2224Cb 0.00 0.40 0.05 0.00 -1.10 0.00 0.00 41.96 41.31 1vsy s TYR 2224CO 0.00 -0.99 0.22 0.95 -2.51 0.00 0.00 175.55 173.22 1vsy s THR 2225N -3.92 -0.29 0.00 -3.49 -4.23 -1.26 -4.96 115.64 97.49 1vsy s THR 2225Ca 0.13 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1vsy s THR 2225Cb -0.02 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1vsy s THR 2225CO 0.02 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1vsy n GLY 2226N 5.11 0.00 3.11 3.99 0.00 -1.26 -5.11 105.19 111.04 1vsy n GLY 2226Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1vsy n GLY 2226CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsy s ILE 2227N 0.00 2.10 -1.64 -0.61 1.01 -1.26 -5.00 121.20 115.79 1vsy s ILE 2227Ca 0.00 -1.09 0.29 0.00 0.00 0.00 0.00 60.65 59.85 1vsy s ILE 2227Cb 0.00 -1.96 0.52 0.00 0.01 0.00 0.00 42.46 41.03 1vsy s ILE 2227CO 0.00 0.41 1.95 -2.65 0.00 0.00 0.00 174.94 174.65 1vsy n PRO 2228N 4.58 0.67 0.06 2.79 -0.02 -1.26 -3.65 135.00 138.17 1vsy n PRO 2228Ca -0.19 -0.16 -0.05 0.00 -2.02 0.00 0.00 63.50 61.08 1vsy n PRO 2228Cb 0.48 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 1vsy n PRO 2228CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1vsy h THR 2229N 0.39 1.25 -3.47 3.45 1.35 -2.06 -3.42 112.91 110.39 1vsy h THR 2229Ca 0.00 -2.89 -0.64 0.00 -0.55 0.00 0.00 66.41 62.33 1vsy h THR 2229Cb 0.30 2.60 -0.22 0.00 -1.73 0.00 0.00 68.15 69.10 1vsy h THR 2229CO 0.00 0.71 -0.64 1.51 -0.25 0.00 0.00 175.52 176.85 1vsy s ASP 2230N -6.45 5.01 0.00 5.36 3.84 -1.24 -5.02 116.67 118.17 1vsy s ASP 2230Ca 0.00 -0.17 0.07 0.00 -0.00 0.00 0.00 52.55 52.46 1vsy s ASP 2230Cb 0.09 -1.87 0.13 0.00 -1.38 0.00 0.00 42.92 39.89 1vsy s ASP 2230CO 0.80 0.05 0.95 0.29 -0.00 0.00 0.00 175.17 177.26 1vsy n LYS 2231N 4.35 1.44 0.00 2.11 5.02 -1.26 -4.89 118.16 124.92 1vsy n LYS 2231Ca -0.17 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.72 1vsy n LYS 2231Cb 0.52 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1vsy n LYS 2231CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vsy n GLY 2232N 0.31 1.27 3.73 0.72 0.00 -1.26 -3.01 105.19 106.95 1vsy n GLY 2232Ca 0.06 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1vsy n GLY 2232CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vsy s PRO 2233N -1.86 4.28 0.24 1.61 0.02 -1.23 -4.09 135.00 133.98 1vsy s PRO 2233Ca 0.00 2.23 0.13 0.00 0.02 0.00 0.00 61.00 63.38 1vsy s PRO 2233Cb 0.00 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.38 1vsy s PRO 2233CO 0.00 -0.45 1.41 0.00 -0.33 0.00 0.00 177.00 177.64 1vsy h ARG 2234N 5.91 0.00 -6.17 5.54 3.08 -1.01 -0.86 114.38 120.86 1vsy h ARG 2234Ca -0.44 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.04 1vsy h ARG 2234Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 1vsy h ARG 2234CO 0.83 0.63 0.78 0.12 -1.07 0.00 0.00 179.97 181.25 1vsy s PHE 2235N -2.92 3.19 -0.06 3.04 2.19 -0.81 -1.65 117.98 120.96 1vsy s PHE 2235Ca 0.03 1.30 0.00 0.00 0.33 0.00 0.00 56.93 58.59 1vsy s PHE 2235Cb 0.08 -3.36 0.02 0.00 -1.31 0.00 0.00 43.02 38.46 1vsy s PHE 2235CO 0.76 -0.97 -0.04 0.50 1.83 0.00 0.00 175.22 177.30 1vsy s ARG 2236N 2.92 0.85 -0.35 10.12 3.00 -0.87 -5.00 118.95 129.61 1vsy s ARG 2236Ca 0.50 -0.07 -0.14 0.00 -1.00 0.00 0.00 55.73 55.02 1vsy s ARG 2236Cb -0.19 -0.95 -0.01 0.00 0.00 0.00 0.00 34.95 33.80 1vsy s ARG 2236CO 0.14 -0.15 0.29 0.21 0.00 0.00 0.00 175.30 175.79 1vsy s LYS 2237N 1.23 3.45 0.30 5.12 2.20 -1.26 -1.04 119.74 129.74 1vsy s LYS 2237Ca -0.06 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 54.64 1vsy s LYS 2237Cb -0.14 -3.83 -0.11 0.00 -1.51 0.00 0.00 37.83 32.25 1vsy s LYS 2237CO -0.02 -0.52 1.46 -0.51 -0.36 0.00 0.00 175.35 175.40 1vsy s LEU 2238N 1.82 4.37 0.73 5.43 1.43 -0.57 -4.98 118.68 126.91 1vsy s LEU 2238Ca 0.08 2.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.88 1vsy s LEU 2238Cb -0.17 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.43 1vsy s LEU 2238CO 0.11 -0.75 1.07 0.42 0.23 0.00 0.00 176.35 177.43 1vsy s THR 2239N -0.46 3.73 0.48 5.49 -4.23 -1.26 -4.69 115.64 114.70 1vsy s THR 2239Ca 0.57 0.56 0.25 0.00 -1.18 0.00 0.00 61.69 61.88 1vsy s THR 2239Cb -0.44 -3.29 0.43 0.00 1.34 0.00 0.00 72.50 70.54 1vsy s THR 2239CO 0.50 -0.74 1.88 -1.28 -0.54 0.00 0.00 174.62 174.45 1vsy h SER 2240N -0.84 0.19 0.04 3.99 0.87 -1.94 -1.76 113.55 114.09 1vsy h SER 2240Ca -0.45 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1vsy h SER 2240Cb 1.23 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1vsy h SER 2240CO 0.57 0.07 -0.02 -0.61 -0.53 0.00 0.00 176.83 176.31 1vsy h GLN 2241N 0.19 -0.05 -0.74 2.24 5.75 -1.91 -3.22 115.11 117.37 1vsy h GLN 2241Ca 0.43 0.00 0.17 0.00 -0.15 0.00 0.00 58.65 59.10 1vsy h GLN 2241Cb 1.40 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.91 1vsy h GLN 2241CO -0.09 0.56 0.50 0.93 -2.65 0.00 0.00 178.83 178.09 1vsy h GLU 2242N -0.74 0.27 0.37 1.69 5.08 -1.68 -1.34 114.58 118.22 1vsy h GLU 2242Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1vsy h GLU 2242Cb 0.64 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1vsy h GLU 2242CO 0.01 0.18 -0.18 0.82 -1.00 0.00 0.00 179.01 178.84 1vsy h ILE 2243N 0.27 0.24 -1.01 3.13 2.04 -1.62 -2.94 117.51 117.64 1vsy h ILE 2243Ca 0.36 -0.69 0.23 0.00 1.00 0.00 0.00 64.86 65.76 1vsy h ILE 2243Cb 1.02 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 37.39 1vsy h ILE 2243CO -0.09 0.06 0.63 0.78 0.00 0.00 0.00 178.15 179.53 1vsy h ASN 2244N -1.06 0.61 -0.86 1.72 2.35 -1.44 0.75 115.58 117.65 1vsy h ASN 2244Ca -0.05 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1vsy h ASN 2244Cb 0.47 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.79 1vsy h ASN 2244CO 0.08 0.16 0.56 0.44 -1.65 0.00 0.00 177.43 177.02 1vsy h ASP 2245N 0.56 0.95 0.83 5.81 5.19 -1.29 -2.51 116.42 125.96 1vsy h ASP 2245Ca 0.59 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.85 1vsy h ASP 2245Cb 1.22 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 1vsy h ASP 2245CO -0.36 0.67 -0.63 0.03 -3.12 0.00 0.00 179.24 175.83 1vsy h ARG 2246N 1.12 0.00 0.00 3.56 3.08 -0.70 -3.24 114.38 118.19 1vsy h ARG 2246Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1vsy h ARG 2246Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1vsy h ARG 2246CO -0.09 0.63 0.00 -0.07 -1.07 0.00 0.00 179.97 179.37 1vsy h LEU 2247N 0.00 0.00 0.02 3.04 3.38 -0.87 -3.25 115.31 117.63 1vsy h LEU 2247Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1vsy h LEU 2247Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1vsy h LEU 2247CO 0.08 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.28 1vsy h GLU 2248N 0.00 -0.02 -2.61 1.13 5.08 -1.49 -3.28 114.58 113.38 1vsy h GLU 2248Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1vsy h GLU 2248Cb 0.89 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1vsy h GLU 2248CO 0.00 0.74 2.29 0.00 -1.00 0.00 0.00 179.01 181.05 1vsy n ALA 2249N -2.55 7.09 -0.50 3.43 0.00 -1.23 -5.16 120.51 121.60 1vsy n ALA 2249Ca -0.09 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1vsy n ALA 2249Cb 0.38 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.89 1vsy n ALA 2249CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39